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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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/fdfdf-adf05f5e/inputs/seq.fa first_line: R R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fdfdf-adf05f5e/inputs/seq.fa: 2 curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ curr_seq: _GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC_ chainIds_rna: _AB_, chainIds_protein: __ chainId: A, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC chainId: B, chainSeq: GAAGACCCCGUGGAGCUCUUCGGAGUUACCCCGGGGAUAACAGGCUGAUCGUGAGGUUUGGCACCUC 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 67 nucleotides chain B contains 67 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: 680 n_atoms_counter: 680 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius): limiting sphere radius value: 134.000000 was provided by the user EntireStructure::rnaStruct limitingSphereRadius : 134.000000 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: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -59.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -542.033041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.033041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.033041 (E_RNA) where: Base-Base interactions energy: -19.881 where: short stacking energy: -19.881 Base-Backbone interact. energy: -0.000 local terms energy: -522.151858 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -98.386 flat angles P-C4'-P energy: -112.543 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -710.169021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.169021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.169021 (E_RNA) where: Base-Base interactions energy: -319.054 where: short stacking energy: -301.057 Base-Backbone interact. energy: -0.533 local terms energy: -390.582085 where: bonds (distance) C4'-P energy: -83.339 bonds (distance) P-C4' energy: -97.111 flat angles C4'-P-C4' energy: -89.465 flat angles P-C4'-P energy: -46.548 tors. eta vs tors. theta energy: -74.120 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -664.480190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.480190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.480190 (E_RNA) where: Base-Base interactions energy: -294.606 where: short stacking energy: -278.104 Base-Backbone interact. energy: -0.075 local terms energy: -369.798723 where: bonds (distance) C4'-P energy: -79.239 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -54.804 tors. eta vs tors. theta energy: -64.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -624.226754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.226754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.226754 (E_RNA) where: Base-Base interactions energy: -255.270 where: short stacking energy: -246.224 Base-Backbone interact. energy: -0.445 local terms energy: -368.512163 where: bonds (distance) C4'-P energy: -81.700 bonds (distance) P-C4' energy: -91.329 flat angles C4'-P-C4' energy: -84.120 flat angles P-C4'-P energy: -60.906 tors. eta vs tors. theta energy: -50.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -575.815412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.815412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.815412 (E_RNA) where: Base-Base interactions energy: -235.203 where: short stacking energy: -234.238 Base-Backbone interact. energy: 0.473 local terms energy: -341.085140 where: bonds (distance) C4'-P energy: -81.376 bonds (distance) P-C4' energy: -90.544 flat angles C4'-P-C4' energy: -64.203 flat angles P-C4'-P energy: -50.347 tors. eta vs tors. theta energy: -54.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -551.150633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.150633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.150633 (E_RNA) where: Base-Base interactions energy: -52.012 where: short stacking energy: -52.012 Base-Backbone interact. energy: -0.000 local terms energy: -499.138850 where: bonds (distance) C4'-P energy: -118.569 bonds (distance) P-C4' energy: -108.382 flat angles C4'-P-C4' energy: -100.230 flat angles P-C4'-P energy: -109.529 tors. eta vs tors. theta energy: -62.428 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -546.974530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.974530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.974530 (E_RNA) where: Base-Base interactions energy: -76.096 where: short stacking energy: -76.096 Base-Backbone interact. energy: -0.000 local terms energy: -470.878415 where: bonds (distance) C4'-P energy: -104.166 bonds (distance) P-C4' energy: -102.966 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -103.851 tors. eta vs tors. theta energy: -61.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -553.642846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.642846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.642846 (E_RNA) where: Base-Base interactions energy: -57.842 where: short stacking energy: -57.842 Base-Backbone interact. energy: -0.000 local terms energy: -495.800265 where: bonds (distance) C4'-P energy: -119.955 bonds (distance) P-C4' energy: -106.149 flat angles C4'-P-C4' energy: -100.119 flat angles P-C4'-P energy: -108.690 tors. eta vs tors. theta energy: -60.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -544.176348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.176348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.176348 (E_RNA) where: Base-Base interactions energy: -29.016 where: short stacking energy: -29.016 Base-Backbone interact. energy: -0.000 local terms energy: -515.160040 where: bonds (distance) C4'-P energy: -126.515 bonds (distance) P-C4' energy: -118.062 flat angles C4'-P-C4' energy: -98.372 flat angles P-C4'-P energy: -111.926 tors. eta vs tors. theta energy: -60.285 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: 2 Temperature: 1.300000 Total energy: -544.675806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.675806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.675806 (E_RNA) where: Base-Base interactions energy: -29.517 where: short stacking energy: -29.517 Base-Backbone interact. energy: -0.000 local terms energy: -515.158542 where: bonds (distance) C4'-P energy: -126.515 bonds (distance) P-C4' energy: -118.062 flat angles C4'-P-C4' energy: -98.372 flat angles P-C4'-P energy: -111.849 tors. eta vs tors. theta energy: -60.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -554.627557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.627557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.627557 (E_RNA) where: Base-Base interactions energy: -92.350 where: short stacking energy: -92.350 Base-Backbone interact. energy: -0.000 local terms energy: -462.277533 where: bonds (distance) C4'-P energy: -104.183 bonds (distance) P-C4' energy: -94.736 flat angles C4'-P-C4' energy: -99.160 flat angles P-C4'-P energy: -101.379 tors. eta vs tors. theta energy: -62.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -752.618346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.618346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.618346 (E_RNA) where: Base-Base interactions energy: -352.083 where: short stacking energy: -352.083 Base-Backbone interact. energy: -0.052 local terms energy: -400.483171 where: bonds (distance) C4'-P energy: -85.731 bonds (distance) P-C4' energy: -88.819 flat angles C4'-P-C4' energy: -84.144 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -92.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -670.934857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.934857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.934857 (E_RNA) where: Base-Base interactions energy: -290.767 where: short stacking energy: -289.793 Base-Backbone interact. energy: 1.303 local terms energy: -381.471216 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -90.214 flat angles C4'-P-C4' energy: -87.186 flat angles P-C4'-P energy: -50.018 tors. eta vs tors. theta energy: -75.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -591.664834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.664834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.664834 (E_RNA) where: Base-Base interactions energy: -264.992 where: short stacking energy: -249.471 Base-Backbone interact. energy: -0.798 local terms energy: -325.875551 where: bonds (distance) C4'-P energy: -80.068 bonds (distance) P-C4' energy: -85.639 flat angles C4'-P-C4' energy: -76.390 flat angles P-C4'-P energy: -44.401 tors. eta vs tors. theta energy: -39.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -585.769197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.769197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.769197 (E_RNA) where: Base-Base interactions energy: -260.718 where: short stacking energy: -239.583 Base-Backbone interact. energy: -0.421 local terms energy: -324.629712 where: bonds (distance) C4'-P energy: -78.186 bonds (distance) P-C4' energy: -73.100 flat angles C4'-P-C4' energy: -82.680 flat angles P-C4'-P energy: -33.199 tors. eta vs tors. theta energy: -57.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -595.823668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.823668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.823668 (E_RNA) where: Base-Base interactions energy: -264.210 where: short stacking energy: -220.410 Base-Backbone interact. energy: -1.872 local terms energy: -331.277402 where: bonds (distance) C4'-P energy: -71.966 bonds (distance) P-C4' energy: -82.468 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -51.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.535 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -505.293114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.293114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.293114 (E_RNA) where: Base-Base interactions energy: -212.626 where: short stacking energy: -191.190 Base-Backbone interact. energy: -0.568 local terms energy: -292.098939 where: bonds (distance) C4'-P energy: -72.117 bonds (distance) P-C4' energy: -90.769 flat angles C4'-P-C4' energy: -71.563 flat angles P-C4'-P energy: -29.027 tors. eta vs tors. theta energy: -28.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -455.123593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.123593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.123593 (E_RNA) where: Base-Base interactions energy: -181.914 where: short stacking energy: -174.273 Base-Backbone interact. energy: -1.094 local terms energy: -272.115242 where: bonds (distance) C4'-P energy: -75.251 bonds (distance) P-C4' energy: -74.396 flat angles C4'-P-C4' energy: -67.144 flat angles P-C4'-P energy: -36.374 tors. eta vs tors. theta energy: -18.950 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -417.972748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.972748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.972748 (E_RNA) where: Base-Base interactions energy: -131.154 where: short stacking energy: -124.476 Base-Backbone interact. energy: 0.925 local terms energy: -287.743364 where: bonds (distance) C4'-P energy: -83.921 bonds (distance) P-C4' energy: -88.145 flat angles C4'-P-C4' energy: -63.072 flat angles P-C4'-P energy: -46.108 tors. eta vs tors. theta energy: -6.497 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: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -381.874836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.874836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.874836 (E_RNA) where: Base-Base interactions energy: -116.927 where: short stacking energy: -103.816 Base-Backbone interact. energy: 0.589 local terms energy: -265.536840 where: bonds (distance) C4'-P energy: -77.960 bonds (distance) P-C4' energy: -94.380 flat angles C4'-P-C4' energy: -52.815 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: 7.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -393.776680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.776680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.776680 (E_RNA) where: Base-Base interactions energy: -162.711 where: short stacking energy: -112.157 Base-Backbone interact. energy: 1.422 local terms energy: -232.487248 where: bonds (distance) C4'-P energy: -63.840 bonds (distance) P-C4' energy: -80.782 flat angles C4'-P-C4' energy: -59.734 flat angles P-C4'-P energy: -15.060 tors. eta vs tors. theta energy: -13.071 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -757.855581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.855581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.855581 (E_RNA) where: Base-Base interactions energy: -349.047 where: short stacking energy: -322.755 Base-Backbone interact. energy: -1.364 local terms energy: -407.477277 where: bonds (distance) C4'-P energy: -86.997 bonds (distance) P-C4' energy: -79.716 flat angles C4'-P-C4' energy: -97.746 flat angles P-C4'-P energy: -59.051 tors. eta vs tors. theta energy: -83.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.033 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -762.760048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.760048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.760048 (E_RNA) where: Base-Base interactions energy: -361.216 where: short stacking energy: -286.520 Base-Backbone interact. energy: -1.310 local terms energy: -400.234237 where: bonds (distance) C4'-P energy: -77.349 bonds (distance) P-C4' energy: -92.575 flat angles C4'-P-C4' energy: -95.740 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: -79.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -647.964427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.964427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.964427 (E_RNA) where: Base-Base interactions energy: -282.161 where: short stacking energy: -263.716 Base-Backbone interact. energy: 1.890 local terms energy: -367.693920 where: bonds (distance) C4'-P energy: -87.466 bonds (distance) P-C4' energy: -91.688 flat angles C4'-P-C4' energy: -92.021 flat angles P-C4'-P energy: -41.011 tors. eta vs tors. theta energy: -55.509 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: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -584.550582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.550582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.550582 (E_RNA) where: Base-Base interactions energy: -258.739 where: short stacking energy: -256.128 Base-Backbone interact. energy: -0.676 local terms energy: -325.136002 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -81.086 flat angles C4'-P-C4' energy: -85.352 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: -53.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -581.151459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.151459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.151459 (E_RNA) where: Base-Base interactions energy: -270.913 where: short stacking energy: -216.806 Base-Backbone interact. energy: 0.013 local terms energy: -310.251558 where: bonds (distance) C4'-P energy: -73.889 bonds (distance) P-C4' energy: -82.407 flat angles C4'-P-C4' energy: -66.272 flat angles P-C4'-P energy: -49.186 tors. eta vs tors. theta energy: -38.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -515.508645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.508645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.508645 (E_RNA) where: Base-Base interactions energy: -231.736 where: short stacking energy: -202.706 Base-Backbone interact. energy: -0.093 local terms energy: -283.679232 where: bonds (distance) C4'-P energy: -79.981 bonds (distance) P-C4' energy: -77.543 flat angles C4'-P-C4' energy: -70.223 flat angles P-C4'-P energy: -30.266 tors. eta vs tors. theta energy: -25.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -465.353737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.353737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.353737 (E_RNA) where: Base-Base interactions energy: -170.944 where: short stacking energy: -159.891 Base-Backbone interact. energy: -1.218 local terms energy: -293.191916 where: bonds (distance) C4'-P energy: -75.860 bonds (distance) P-C4' energy: -82.504 flat angles C4'-P-C4' energy: -63.972 flat angles P-C4'-P energy: -41.776 tors. eta vs tors. theta energy: -29.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -397.762708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.762708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.762708 (E_RNA) where: Base-Base interactions energy: -136.094 where: short stacking energy: -122.645 Base-Backbone interact. energy: 0.236 local terms energy: -261.904028 where: bonds (distance) C4'-P energy: -77.069 bonds (distance) P-C4' energy: -77.933 flat angles C4'-P-C4' energy: -72.748 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: 1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -449.102571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.102571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.102571 (E_RNA) where: Base-Base interactions energy: -196.466 where: short stacking energy: -147.784 Base-Backbone interact. energy: 1.404 local terms energy: -254.040019 where: bonds (distance) C4'-P energy: -57.416 bonds (distance) P-C4' energy: -61.936 flat angles C4'-P-C4' energy: -68.397 flat angles P-C4'-P energy: -51.860 tors. eta vs tors. theta energy: -14.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -356.547520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.547520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.547520 (E_RNA) where: Base-Base interactions energy: -126.801 where: short stacking energy: -118.479 Base-Backbone interact. energy: -2.021 local terms energy: -227.725599 where: bonds (distance) C4'-P energy: -60.840 bonds (distance) P-C4' energy: -73.926 flat angles C4'-P-C4' energy: -52.769 flat angles P-C4'-P energy: -28.165 tors. eta vs tors. theta energy: -12.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -767.305754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.305754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.305754 (E_RNA) where: Base-Base interactions energy: -342.769 where: short stacking energy: -293.685 Base-Backbone interact. energy: 0.129 local terms energy: -424.666107 where: bonds (distance) C4'-P energy: -87.678 bonds (distance) P-C4' energy: -95.127 flat angles C4'-P-C4' energy: -93.225 flat angles P-C4'-P energy: -71.038 tors. eta vs tors. theta energy: -77.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -801.835346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.835346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.835346 (E_RNA) where: Base-Base interactions energy: -415.312 where: short stacking energy: -333.175 Base-Backbone interact. energy: -0.453 local terms energy: -386.070509 where: bonds (distance) C4'-P energy: -68.726 bonds (distance) P-C4' energy: -89.450 flat angles C4'-P-C4' energy: -82.697 flat angles P-C4'-P energy: -62.736 tors. eta vs tors. theta energy: -82.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -645.112690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.112690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.112690 (E_RNA) where: Base-Base interactions energy: -297.619 where: short stacking energy: -247.110 Base-Backbone interact. energy: -0.534 local terms energy: -346.959357 where: bonds (distance) C4'-P energy: -78.923 bonds (distance) P-C4' energy: -90.294 flat angles C4'-P-C4' energy: -69.337 flat angles P-C4'-P energy: -65.721 tors. eta vs tors. theta energy: -42.685 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: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -695.540548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.540548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.540548 (E_RNA) where: Base-Base interactions energy: -353.686 where: short stacking energy: -271.090 Base-Backbone interact. energy: 1.330 local terms energy: -343.183834 where: bonds (distance) C4'-P energy: -78.169 bonds (distance) P-C4' energy: -71.127 flat angles C4'-P-C4' energy: -91.751 flat angles P-C4'-P energy: -55.714 tors. eta vs tors. theta energy: -46.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -553.922712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.922712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.922712 (E_RNA) where: Base-Base interactions energy: -246.018 where: short stacking energy: -192.210 Base-Backbone interact. energy: -1.058 local terms energy: -306.846574 where: bonds (distance) C4'-P energy: -78.674 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -80.097 flat angles P-C4'-P energy: -47.718 tors. eta vs tors. theta energy: -32.739 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: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -504.496025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.496025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.496025 (E_RNA) where: Base-Base interactions energy: -205.184 where: short stacking energy: -187.816 Base-Backbone interact. energy: 1.641 local terms energy: -300.952317 where: bonds (distance) C4'-P energy: -76.791 bonds (distance) P-C4' energy: -87.821 flat angles C4'-P-C4' energy: -66.361 flat angles P-C4'-P energy: -40.820 tors. eta vs tors. theta energy: -29.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -447.980184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.980184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.980184 (E_RNA) where: Base-Base interactions energy: -189.652 where: short stacking energy: -181.362 Base-Backbone interact. energy: -0.270 local terms energy: -258.058497 where: bonds (distance) C4'-P energy: -73.041 bonds (distance) P-C4' energy: -66.569 flat angles C4'-P-C4' energy: -58.937 flat angles P-C4'-P energy: -38.162 tors. eta vs tors. theta energy: -21.350 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -489.141218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.141218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.141218 (E_RNA) where: Base-Base interactions energy: -212.496 where: short stacking energy: -155.685 Base-Backbone interact. energy: 1.539 local terms energy: -278.184044 where: bonds (distance) C4'-P energy: -69.809 bonds (distance) P-C4' energy: -78.068 flat angles C4'-P-C4' energy: -63.822 flat angles P-C4'-P energy: -54.374 tors. eta vs tors. theta energy: -12.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -395.435866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.435866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.435866 (E_RNA) where: Base-Base interactions energy: -166.470 where: short stacking energy: -129.616 Base-Backbone interact. energy: -0.691 local terms energy: -228.274488 where: bonds (distance) C4'-P energy: -74.916 bonds (distance) P-C4' energy: -79.572 flat angles C4'-P-C4' energy: -52.993 flat angles P-C4'-P energy: -20.597 tors. eta vs tors. theta energy: -0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -336.092950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.092950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.092950 (E_RNA) where: Base-Base interactions energy: -112.030 where: short stacking energy: -105.212 Base-Backbone interact. energy: 1.146 local terms energy: -225.208170 where: bonds (distance) C4'-P energy: -74.157 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -65.341 flat angles P-C4'-P energy: -35.731 tors. eta vs tors. theta energy: 12.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -880.266647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.266647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.266647 (E_RNA) where: Base-Base interactions energy: -460.979 where: short stacking energy: -345.604 Base-Backbone interact. energy: 0.863 local terms energy: -420.150834 where: bonds (distance) C4'-P energy: -89.695 bonds (distance) P-C4' energy: -89.937 flat angles C4'-P-C4' energy: -94.469 flat angles P-C4'-P energy: -56.451 tors. eta vs tors. theta energy: -89.598 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: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -726.459691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.459691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.459691 (E_RNA) where: Base-Base interactions energy: -351.656 where: short stacking energy: -308.030 Base-Backbone interact. energy: -1.574 local terms energy: -373.229724 where: bonds (distance) C4'-P energy: -86.541 bonds (distance) P-C4' energy: -77.709 flat angles C4'-P-C4' energy: -87.825 flat angles P-C4'-P energy: -46.291 tors. eta vs tors. theta energy: -74.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -705.466326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.466326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.466326 (E_RNA) where: Base-Base interactions energy: -333.670 where: short stacking energy: -271.292 Base-Backbone interact. energy: -0.353 local terms energy: -371.443316 where: bonds (distance) C4'-P energy: -86.247 bonds (distance) P-C4' energy: -73.239 flat angles C4'-P-C4' energy: -88.949 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: -64.298 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: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -619.920447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.920447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.920447 (E_RNA) where: Base-Base interactions energy: -308.967 where: short stacking energy: -226.590 Base-Backbone interact. energy: -1.806 local terms energy: -309.148112 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -85.438 flat angles C4'-P-C4' energy: -74.217 flat angles P-C4'-P energy: -55.014 tors. eta vs tors. theta energy: -32.521 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: 3 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -601.027452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.027452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.027452 (E_RNA) where: Base-Base interactions energy: -288.263 where: short stacking energy: -187.463 Base-Backbone interact. energy: 2.520 local terms energy: -315.284865 where: bonds (distance) C4'-P energy: -74.125 bonds (distance) P-C4' energy: -82.718 flat angles C4'-P-C4' energy: -77.580 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: -29.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -502.667897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.667897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.667897 (E_RNA) where: Base-Base interactions energy: -202.859 where: short stacking energy: -198.815 Base-Backbone interact. energy: -0.668 local terms energy: -299.140158 where: bonds (distance) C4'-P energy: -70.221 bonds (distance) P-C4' energy: -74.738 flat angles C4'-P-C4' energy: -75.753 flat angles P-C4'-P energy: -43.744 tors. eta vs tors. theta energy: -34.685 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: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -548.569934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.569934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.569934 (E_RNA) where: Base-Base interactions energy: -284.825 where: short stacking energy: -186.556 Base-Backbone interact. energy: 2.105 local terms energy: -265.848978 where: bonds (distance) C4'-P energy: -62.331 bonds (distance) P-C4' energy: -73.877 flat angles C4'-P-C4' energy: -69.955 flat angles P-C4'-P energy: -43.129 tors. eta vs tors. theta energy: -16.557 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: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -405.344079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.344079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.344079 (E_RNA) where: Base-Base interactions energy: -138.370 where: short stacking energy: -119.855 Base-Backbone interact. energy: -0.255 local terms energy: -266.719136 where: bonds (distance) C4'-P energy: -66.288 bonds (distance) P-C4' energy: -85.337 flat angles C4'-P-C4' energy: -58.939 flat angles P-C4'-P energy: -58.207 tors. eta vs tors. theta energy: 2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -434.195878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.195878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.195878 (E_RNA) where: Base-Base interactions energy: -173.627 where: short stacking energy: -118.798 Base-Backbone interact. energy: -1.933 local terms energy: -258.636295 where: bonds (distance) C4'-P energy: -68.425 bonds (distance) P-C4' energy: -67.830 flat angles C4'-P-C4' energy: -72.019 flat angles P-C4'-P energy: -51.328 tors. eta vs tors. theta energy: 0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -373.339836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.339836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.339836 (E_RNA) where: Base-Base interactions energy: -138.759 where: short stacking energy: -110.790 Base-Backbone interact. energy: 0.705 local terms energy: -235.285924 where: bonds (distance) C4'-P energy: -71.063 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -65.937 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: 19.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -916.511692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.511692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.511692 (E_RNA) where: Base-Base interactions energy: -499.048 where: short stacking energy: -344.375 Base-Backbone interact. energy: -0.462 local terms energy: -417.001380 where: bonds (distance) C4'-P energy: -92.075 bonds (distance) P-C4' energy: -81.936 flat angles C4'-P-C4' energy: -89.496 flat angles P-C4'-P energy: -55.152 tors. eta vs tors. theta energy: -98.341 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: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -746.076899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.076899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.076899 (E_RNA) where: Base-Base interactions energy: -360.060 where: short stacking energy: -278.451 Base-Backbone interact. energy: -0.455 local terms energy: -385.562024 where: bonds (distance) C4'-P energy: -84.870 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -89.006 flat angles P-C4'-P energy: -62.660 tors. eta vs tors. theta energy: -70.082 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: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -625.013708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.013708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.013708 (E_RNA) where: Base-Base interactions energy: -274.273 where: short stacking energy: -245.825 Base-Backbone interact. energy: 0.382 local terms energy: -351.123454 where: bonds (distance) C4'-P energy: -80.656 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -84.060 flat angles P-C4'-P energy: -52.498 tors. eta vs tors. theta energy: -40.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -650.316210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.316210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.316210 (E_RNA) where: Base-Base interactions energy: -340.260 where: short stacking energy: -256.271 Base-Backbone interact. energy: -0.615 local terms energy: -309.441613 where: bonds (distance) C4'-P energy: -57.889 bonds (distance) P-C4' energy: -82.952 flat angles C4'-P-C4' energy: -77.980 flat angles P-C4'-P energy: -50.110 tors. eta vs tors. theta energy: -40.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -590.085499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.085499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.085499 (E_RNA) where: Base-Base interactions energy: -289.521 where: short stacking energy: -205.115 Base-Backbone interact. energy: -1.765 local terms energy: -298.799767 where: bonds (distance) C4'-P energy: -69.753 bonds (distance) P-C4' energy: -80.835 flat angles C4'-P-C4' energy: -60.778 flat angles P-C4'-P energy: -45.382 tors. eta vs tors. theta energy: -42.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -631.977944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.977944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.977944 (E_RNA) where: Base-Base interactions energy: -323.656 where: short stacking energy: -200.265 Base-Backbone interact. energy: -1.315 local terms energy: -307.006994 where: bonds (distance) C4'-P energy: -66.029 bonds (distance) P-C4' energy: -82.478 flat angles C4'-P-C4' energy: -76.169 flat angles P-C4'-P energy: -57.561 tors. eta vs tors. theta energy: -24.770 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: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -438.059475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.059475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.059475 (E_RNA) where: Base-Base interactions energy: -192.912 where: short stacking energy: -157.561 Base-Backbone interact. energy: -0.344 local terms energy: -244.803235 where: bonds (distance) C4'-P energy: -76.565 bonds (distance) P-C4' energy: -77.374 flat angles C4'-P-C4' energy: -49.974 flat angles P-C4'-P energy: -35.789 tors. eta vs tors. theta energy: -5.102 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -427.322996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.322996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.322996 (E_RNA) where: Base-Base interactions energy: -182.145 where: short stacking energy: -125.394 Base-Backbone interact. energy: -1.588 local terms energy: -243.590361 where: bonds (distance) C4'-P energy: -76.060 bonds (distance) P-C4' energy: -64.742 flat angles C4'-P-C4' energy: -63.413 flat angles P-C4'-P energy: -32.879 tors. eta vs tors. theta energy: -6.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -407.743664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.743664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.743664 (E_RNA) where: Base-Base interactions energy: -179.676 where: short stacking energy: -132.867 Base-Backbone interact. energy: -2.170 local terms energy: -227.750863 where: bonds (distance) C4'-P energy: -70.057 bonds (distance) P-C4' energy: -68.325 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -31.250 tors. eta vs tors. theta energy: 11.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.853 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -337.385383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.385383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.385383 (E_RNA) where: Base-Base interactions energy: -139.481 where: short stacking energy: -103.685 Base-Backbone interact. energy: 3.450 local terms energy: -201.354159 where: bonds (distance) C4'-P energy: -58.144 bonds (distance) P-C4' energy: -81.860 flat angles C4'-P-C4' energy: -44.982 flat angles P-C4'-P energy: -46.976 tors. eta vs tors. theta energy: 30.608 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: 8 Temperature: 0.900000 Total energy: -914.013275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.013275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.013275 (E_RNA) where: Base-Base interactions energy: -502.103 where: short stacking energy: -351.191 Base-Backbone interact. energy: -0.463 local terms energy: -411.447988 where: bonds (distance) C4'-P energy: -86.633 bonds (distance) P-C4' energy: -79.761 flat angles C4'-P-C4' energy: -84.058 flat angles P-C4'-P energy: -64.075 tors. eta vs tors. theta energy: -96.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -758.656269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.656269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.656269 (E_RNA) where: Base-Base interactions energy: -384.050 where: short stacking energy: -298.173 Base-Backbone interact. energy: 0.277 local terms energy: -374.883500 where: bonds (distance) C4'-P energy: -88.100 bonds (distance) P-C4' energy: -79.836 flat angles C4'-P-C4' energy: -82.183 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: -88.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -714.029538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.029538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.029538 (E_RNA) where: Base-Base interactions energy: -369.532 where: short stacking energy: -262.827 Base-Backbone interact. energy: -1.382 local terms energy: -343.115777 where: bonds (distance) C4'-P energy: -82.143 bonds (distance) P-C4' energy: -85.044 flat angles C4'-P-C4' energy: -77.058 flat angles P-C4'-P energy: -45.286 tors. eta vs tors. theta energy: -53.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -570.055695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.055695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.055695 (E_RNA) where: Base-Base interactions energy: -257.652 where: short stacking energy: -231.815 Base-Backbone interact. energy: -2.286 local terms energy: -310.195781 where: bonds (distance) C4'-P energy: -85.586 bonds (distance) P-C4' energy: -80.086 flat angles C4'-P-C4' energy: -75.493 flat angles P-C4'-P energy: -30.014 tors. eta vs tors. theta energy: -39.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.078 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -783.727610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.727610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.727610 (E_RNA) where: Base-Base interactions energy: -464.680 where: short stacking energy: -251.576 Base-Backbone interact. energy: -0.659 local terms energy: -318.388786 where: bonds (distance) C4'-P energy: -73.078 bonds (distance) P-C4' energy: -86.349 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: -42.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -572.326606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.326606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.326606 (E_RNA) where: Base-Base interactions energy: -284.500 where: short stacking energy: -203.241 Base-Backbone interact. energy: 3.854 local terms energy: -291.680778 where: bonds (distance) C4'-P energy: -79.848 bonds (distance) P-C4' energy: -77.295 flat angles C4'-P-C4' energy: -74.524 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: -22.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -467.470041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.470041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.470041 (E_RNA) where: Base-Base interactions energy: -195.374 where: short stacking energy: -142.516 Base-Backbone interact. energy: -2.426 local terms energy: -269.669503 where: bonds (distance) C4'-P energy: -69.043 bonds (distance) P-C4' energy: -81.013 flat angles C4'-P-C4' energy: -54.466 flat angles P-C4'-P energy: -47.823 tors. eta vs tors. theta energy: -17.324 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -473.690852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.690852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.690852 (E_RNA) where: Base-Base interactions energy: -215.013 where: short stacking energy: -132.536 Base-Backbone interact. energy: 0.163 local terms energy: -258.840561 where: bonds (distance) C4'-P energy: -70.867 bonds (distance) P-C4' energy: -86.162 flat angles C4'-P-C4' energy: -50.071 flat angles P-C4'-P energy: -31.446 tors. eta vs tors. theta energy: -20.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -441.802477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.802477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.802477 (E_RNA) where: Base-Base interactions energy: -206.449 where: short stacking energy: -139.962 Base-Backbone interact. energy: -1.682 local terms energy: -233.671822 where: bonds (distance) C4'-P energy: -52.927 bonds (distance) P-C4' energy: -79.122 flat angles C4'-P-C4' energy: -62.610 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: -2.751 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: 8 Temperature: 1.350000 Total energy: -398.297453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.297453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.297453 (E_RNA) where: Base-Base interactions energy: -165.373 where: short stacking energy: -123.760 Base-Backbone interact. energy: 4.680 local terms energy: -237.604176 where: bonds (distance) C4'-P energy: -70.113 bonds (distance) P-C4' energy: -81.100 flat angles C4'-P-C4' energy: -57.523 flat angles P-C4'-P energy: -38.046 tors. eta vs tors. theta energy: 9.178 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: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -953.503298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.503298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.503298 (E_RNA) where: Base-Base interactions energy: -561.754 where: short stacking energy: -327.305 Base-Backbone interact. energy: -0.870 local terms energy: -390.879085 where: bonds (distance) C4'-P energy: -75.699 bonds (distance) P-C4' energy: -85.831 flat angles C4'-P-C4' energy: -83.998 flat angles P-C4'-P energy: -64.581 tors. eta vs tors. theta energy: -80.771 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: 2, replica: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -764.102889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.102889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.102889 (E_RNA) where: Base-Base interactions energy: -387.441 where: short stacking energy: -314.464 Base-Backbone interact. energy: 2.566 local terms energy: -379.227604 where: bonds (distance) C4'-P energy: -83.263 bonds (distance) P-C4' energy: -95.782 flat angles C4'-P-C4' energy: -89.291 flat angles P-C4'-P energy: -37.727 tors. eta vs tors. theta energy: -73.164 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: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -754.539529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.539529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.539529 (E_RNA) where: Base-Base interactions energy: -407.001 where: short stacking energy: -267.135 Base-Backbone interact. energy: -0.626 local terms energy: -346.912305 where: bonds (distance) C4'-P energy: -80.323 bonds (distance) P-C4' energy: -79.569 flat angles C4'-P-C4' energy: -72.133 flat angles P-C4'-P energy: -61.697 tors. eta vs tors. theta energy: -53.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -817.029326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.029326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.029326 (E_RNA) where: Base-Base interactions energy: -476.745 where: short stacking energy: -270.589 Base-Backbone interact. energy: 1.959 local terms energy: -342.243699 where: bonds (distance) C4'-P energy: -71.832 bonds (distance) P-C4' energy: -81.163 flat angles C4'-P-C4' energy: -87.882 flat angles P-C4'-P energy: -43.711 tors. eta vs tors. theta energy: -57.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -520.250627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.250627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.250627 (E_RNA) where: Base-Base interactions energy: -213.862 where: short stacking energy: -199.227 Base-Backbone interact. energy: -0.585 local terms energy: -305.803534 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -79.355 flat angles C4'-P-C4' energy: -80.197 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -30.203 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: 3 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -622.406133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.406133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.406133 (E_RNA) where: Base-Base interactions energy: -322.200 where: short stacking energy: -180.754 Base-Backbone interact. energy: 0.288 local terms energy: -300.494105 where: bonds (distance) C4'-P energy: -75.241 bonds (distance) P-C4' energy: -78.567 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -54.897 tors. eta vs tors. theta energy: -14.869 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: 9 Temperature: 1.200000 Total energy: -460.498776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.498776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.498776 (E_RNA) where: Base-Base interactions energy: -189.612 where: short stacking energy: -165.093 Base-Backbone interact. energy: 1.098 local terms energy: -271.984664 where: bonds (distance) C4'-P energy: -60.580 bonds (distance) P-C4' energy: -78.947 flat angles C4'-P-C4' energy: -66.811 flat angles P-C4'-P energy: -42.311 tors. eta vs tors. theta energy: -23.336 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: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -525.039053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.039053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.039053 (E_RNA) where: Base-Base interactions energy: -252.578 where: short stacking energy: -139.749 Base-Backbone interact. energy: -0.524 local terms energy: -271.936694 where: bonds (distance) C4'-P energy: -65.265 bonds (distance) P-C4' energy: -82.667 flat angles C4'-P-C4' energy: -68.779 flat angles P-C4'-P energy: -41.260 tors. eta vs tors. theta energy: -13.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -432.102616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.102616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.102616 (E_RNA) where: Base-Base interactions energy: -197.716 where: short stacking energy: -139.674 Base-Backbone interact. energy: -1.661 local terms energy: -232.725462 where: bonds (distance) C4'-P energy: -68.424 bonds (distance) P-C4' energy: -81.894 flat angles C4'-P-C4' energy: -54.433 flat angles P-C4'-P energy: -23.266 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -430.612663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.612663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.612663 (E_RNA) where: Base-Base interactions energy: -184.931 where: short stacking energy: -144.124 Base-Backbone interact. energy: -0.575 local terms energy: -245.106951 where: bonds (distance) C4'-P energy: -60.674 bonds (distance) P-C4' energy: -69.494 flat angles C4'-P-C4' energy: -62.049 flat angles P-C4'-P energy: -39.545 tors. eta vs tors. theta energy: -13.345 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: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1030.311099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.311099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.311099 (E_RNA) where: Base-Base interactions energy: -647.129 where: short stacking energy: -305.285 Base-Backbone interact. energy: -1.392 local terms energy: -381.790549 where: bonds (distance) C4'-P energy: -79.885 bonds (distance) P-C4' energy: -86.745 flat angles C4'-P-C4' energy: -92.992 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: -74.238 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: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -771.378913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.378913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.378913 (E_RNA) where: Base-Base interactions energy: -413.665 where: short stacking energy: -265.023 Base-Backbone interact. energy: -0.259 local terms energy: -357.454850 where: bonds (distance) C4'-P energy: -85.936 bonds (distance) P-C4' energy: -89.515 flat angles C4'-P-C4' energy: -81.046 flat angles P-C4'-P energy: -45.158 tors. eta vs tors. theta energy: -55.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -915.714558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.714558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.714558 (E_RNA) where: Base-Base interactions energy: -556.820 where: short stacking energy: -292.861 Base-Backbone interact. energy: -1.249 local terms energy: -357.646111 where: bonds (distance) C4'-P energy: -84.041 bonds (distance) P-C4' energy: -85.504 flat angles C4'-P-C4' energy: -74.534 flat angles P-C4'-P energy: -52.124 tors. eta vs tors. theta energy: -61.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -765.101366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.101366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.101366 (E_RNA) where: Base-Base interactions energy: -405.481 where: short stacking energy: -235.863 Base-Backbone interact. energy: -2.569 local terms energy: -357.051328 where: bonds (distance) C4'-P energy: -89.643 bonds (distance) P-C4' energy: -90.704 flat angles C4'-P-C4' energy: -86.149 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -40.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -724.604888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.604888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.604888 (E_RNA) where: Base-Base interactions energy: -391.406 where: short stacking energy: -227.158 Base-Backbone interact. energy: -0.474 local terms energy: -332.725487 where: bonds (distance) C4'-P energy: -78.014 bonds (distance) P-C4' energy: -72.256 flat angles C4'-P-C4' energy: -81.253 flat angles P-C4'-P energy: -47.762 tors. eta vs tors. theta energy: -53.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -481.985651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.985651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.985651 (E_RNA) where: Base-Base interactions energy: -199.979 where: short stacking energy: -144.910 Base-Backbone interact. energy: -1.386 local terms energy: -280.621301 where: bonds (distance) C4'-P energy: -74.413 bonds (distance) P-C4' energy: -85.122 flat angles C4'-P-C4' energy: -75.456 flat angles P-C4'-P energy: -40.132 tors. eta vs tors. theta energy: -5.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -496.685569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.685569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.685569 (E_RNA) where: Base-Base interactions energy: -198.730 where: short stacking energy: -160.773 Base-Backbone interact. energy: -0.892 local terms energy: -297.063095 where: bonds (distance) C4'-P energy: -86.146 bonds (distance) P-C4' energy: -74.670 flat angles C4'-P-C4' energy: -82.050 flat angles P-C4'-P energy: -34.737 tors. eta vs tors. theta energy: -19.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -584.491623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.491623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.491623 (E_RNA) where: Base-Base interactions energy: -331.616 where: short stacking energy: -162.620 Base-Backbone interact. energy: -1.284 local terms energy: -251.590994 where: bonds (distance) C4'-P energy: -66.075 bonds (distance) P-C4' energy: -65.337 flat angles C4'-P-C4' energy: -71.458 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: -15.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -475.133272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.133272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.133272 (E_RNA) where: Base-Base interactions energy: -237.357 where: short stacking energy: -173.375 Base-Backbone interact. energy: 4.958 local terms energy: -242.733672 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -69.000 flat angles C4'-P-C4' energy: -69.148 flat angles P-C4'-P energy: -34.689 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -329.126702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.126702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.126702 (E_RNA) where: Base-Base interactions energy: -121.903 where: short stacking energy: -109.189 Base-Backbone interact. energy: -1.575 local terms energy: -205.648804 where: bonds (distance) C4'-P energy: -67.435 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -41.075 flat angles P-C4'-P energy: -36.460 tors. eta vs tors. theta energy: 14.448 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: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1069.820566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.820566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.820566 (E_RNA) where: Base-Base interactions energy: -669.112 where: short stacking energy: -341.324 Base-Backbone interact. energy: -2.733 local terms energy: -397.975361 where: bonds (distance) C4'-P energy: -98.093 bonds (distance) P-C4' energy: -79.239 flat angles C4'-P-C4' energy: -80.721 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -81.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -998.308749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.308749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.308749 (E_RNA) where: Base-Base interactions energy: -596.376 where: short stacking energy: -339.220 Base-Backbone interact. energy: -4.074 local terms energy: -397.859001 where: bonds (distance) C4'-P energy: -85.733 bonds (distance) P-C4' energy: -85.793 flat angles C4'-P-C4' energy: -90.999 flat angles P-C4'-P energy: -63.158 tors. eta vs tors. theta energy: -72.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -792.914490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.914490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.914490 (E_RNA) where: Base-Base interactions energy: -455.857 where: short stacking energy: -273.735 Base-Backbone interact. energy: -0.472 local terms energy: -336.584912 where: bonds (distance) C4'-P energy: -84.169 bonds (distance) P-C4' energy: -84.370 flat angles C4'-P-C4' energy: -74.879 flat angles P-C4'-P energy: -48.315 tors. eta vs tors. theta energy: -44.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -796.465565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.465565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.465565 (E_RNA) where: Base-Base interactions energy: -461.444 where: short stacking energy: -261.600 Base-Backbone interact. energy: -2.296 local terms energy: -332.726180 where: bonds (distance) C4'-P energy: -71.804 bonds (distance) P-C4' energy: -76.809 flat angles C4'-P-C4' energy: -80.609 flat angles P-C4'-P energy: -47.450 tors. eta vs tors. theta energy: -56.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -739.853413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.853413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.853413 (E_RNA) where: Base-Base interactions energy: -415.827 where: short stacking energy: -209.614 Base-Backbone interact. energy: -2.070 local terms energy: -321.956331 where: bonds (distance) C4'-P energy: -85.583 bonds (distance) P-C4' energy: -74.329 flat angles C4'-P-C4' energy: -71.555 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -36.759 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: 1 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -481.980932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.980932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.980932 (E_RNA) where: Base-Base interactions energy: -203.286 where: short stacking energy: -171.084 Base-Backbone interact. energy: -1.064 local terms energy: -277.630805 where: bonds (distance) C4'-P energy: -76.465 bonds (distance) P-C4' energy: -82.504 flat angles C4'-P-C4' energy: -61.169 flat angles P-C4'-P energy: -35.080 tors. eta vs tors. theta energy: -22.413 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: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -438.312319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.312319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.312319 (E_RNA) where: Base-Base interactions energy: -185.770 where: short stacking energy: -143.051 Base-Backbone interact. energy: 6.655 local terms energy: -259.196597 where: bonds (distance) C4'-P energy: -57.226 bonds (distance) P-C4' energy: -77.721 flat angles C4'-P-C4' energy: -68.932 flat angles P-C4'-P energy: -46.365 tors. eta vs tors. theta energy: -8.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -576.507850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.507850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.507850 (E_RNA) where: Base-Base interactions energy: -333.234 where: short stacking energy: -156.577 Base-Backbone interact. energy: -0.406 local terms energy: -242.867937 where: bonds (distance) C4'-P energy: -57.479 bonds (distance) P-C4' energy: -69.339 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -34.337 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: 9, replica: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -404.356036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.356036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.356036 (E_RNA) where: Base-Base interactions energy: -176.161 where: short stacking energy: -104.949 Base-Backbone interact. energy: 0.252 local terms energy: -228.446808 where: bonds (distance) C4'-P energy: -65.202 bonds (distance) P-C4' energy: -80.820 flat angles C4'-P-C4' energy: -55.721 flat angles P-C4'-P energy: -30.486 tors. eta vs tors. theta energy: 3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -376.674457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.674457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.674457 (E_RNA) where: Base-Base interactions energy: -166.948 where: short stacking energy: -113.343 Base-Backbone interact. energy: 3.817 local terms energy: -213.543411 where: bonds (distance) C4'-P energy: -80.063 bonds (distance) P-C4' energy: -54.068 flat angles C4'-P-C4' energy: -59.244 flat angles P-C4'-P energy: -27.360 tors. eta vs tors. theta energy: 7.191 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: 12 Temperature: 0.900000 Total energy: -1100.452785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.452785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.452785 (E_RNA) where: Base-Base interactions energy: -703.373 where: short stacking energy: -322.518 Base-Backbone interact. energy: -1.032 local terms energy: -396.048359 where: bonds (distance) C4'-P energy: -84.434 bonds (distance) P-C4' energy: -84.872 flat angles C4'-P-C4' energy: -90.102 flat angles P-C4'-P energy: -57.364 tors. eta vs tors. theta energy: -79.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1026.155996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.155996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.155996 (E_RNA) where: Base-Base interactions energy: -631.886 where: short stacking energy: -314.627 Base-Backbone interact. energy: -0.935 local terms energy: -393.335624 where: bonds (distance) C4'-P energy: -84.854 bonds (distance) P-C4' energy: -93.390 flat angles C4'-P-C4' energy: -84.557 flat angles P-C4'-P energy: -59.569 tors. eta vs tors. theta energy: -70.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -759.471321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.471321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.471321 (E_RNA) where: Base-Base interactions energy: -396.179 where: short stacking energy: -244.705 Base-Backbone interact. energy: 0.435 local terms energy: -363.727302 where: bonds (distance) C4'-P energy: -77.356 bonds (distance) P-C4' energy: -84.300 flat angles C4'-P-C4' energy: -87.457 flat angles P-C4'-P energy: -60.620 tors. eta vs tors. theta energy: -53.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -852.191126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.191126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.191126 (E_RNA) where: Base-Base interactions energy: -509.462 where: short stacking energy: -283.753 Base-Backbone interact. energy: -2.101 local terms energy: -340.628159 where: bonds (distance) C4'-P energy: -73.100 bonds (distance) P-C4' energy: -78.666 flat angles C4'-P-C4' energy: -81.290 flat angles P-C4'-P energy: -50.041 tors. eta vs tors. theta energy: -57.531 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: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -733.554927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.554927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.554927 (E_RNA) where: Base-Base interactions energy: -404.620 where: short stacking energy: -197.093 Base-Backbone interact. energy: -1.604 local terms energy: -327.331881 where: bonds (distance) C4'-P energy: -80.197 bonds (distance) P-C4' energy: -82.297 flat angles C4'-P-C4' energy: -82.505 flat angles P-C4'-P energy: -45.963 tors. eta vs tors. theta energy: -36.370 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: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -490.354951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.354951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.354951 (E_RNA) where: Base-Base interactions energy: -187.129 where: short stacking energy: -148.250 Base-Backbone interact. energy: -1.452 local terms energy: -301.773550 where: bonds (distance) C4'-P energy: -82.813 bonds (distance) P-C4' energy: -80.077 flat angles C4'-P-C4' energy: -76.525 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -20.710 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: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -504.758044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.758044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.758044 (E_RNA) where: Base-Base interactions energy: -219.785 where: short stacking energy: -156.272 Base-Backbone interact. energy: -0.159 local terms energy: -284.814501 where: bonds (distance) C4'-P energy: -77.797 bonds (distance) P-C4' energy: -72.105 flat angles C4'-P-C4' energy: -83.508 flat angles P-C4'-P energy: -39.085 tors. eta vs tors. theta energy: -12.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -431.482097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.482097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.482097 (E_RNA) where: Base-Base interactions energy: -146.561 where: short stacking energy: -135.434 Base-Backbone interact. energy: 0.221 local terms energy: -285.142476 where: bonds (distance) C4'-P energy: -89.175 bonds (distance) P-C4' energy: -84.865 flat angles C4'-P-C4' energy: -67.730 flat angles P-C4'-P energy: -42.804 tors. eta vs tors. theta energy: -0.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -489.064239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.064239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.064239 (E_RNA) where: Base-Base interactions energy: -254.230 where: short stacking energy: -148.283 Base-Backbone interact. energy: 3.361 local terms energy: -238.194665 where: bonds (distance) C4'-P energy: -62.818 bonds (distance) P-C4' energy: -86.755 flat angles C4'-P-C4' energy: -57.909 flat angles P-C4'-P energy: -31.388 tors. eta vs tors. theta energy: 0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -361.196951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.196951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.196951 (E_RNA) where: Base-Base interactions energy: -147.576 where: short stacking energy: -100.529 Base-Backbone interact. energy: 4.415 local terms energy: -218.035829 where: bonds (distance) C4'-P energy: -61.443 bonds (distance) P-C4' energy: -75.652 flat angles C4'-P-C4' energy: -61.250 flat angles P-C4'-P energy: -29.431 tors. eta vs tors. theta energy: 9.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1116.055418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.055418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.055418 (E_RNA) where: Base-Base interactions energy: -687.448 where: short stacking energy: -351.027 Base-Backbone interact. energy: -1.482 local terms energy: -427.124991 where: bonds (distance) C4'-P energy: -85.230 bonds (distance) P-C4' energy: -95.983 flat angles C4'-P-C4' energy: -94.719 flat angles P-C4'-P energy: -60.697 tors. eta vs tors. theta energy: -90.495 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: 10 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1015.639286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.639286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.639286 (E_RNA) where: Base-Base interactions energy: -635.618 where: short stacking energy: -303.615 Base-Backbone interact. energy: -0.532 local terms energy: -379.489647 where: bonds (distance) C4'-P energy: -76.554 bonds (distance) P-C4' energy: -83.004 flat angles C4'-P-C4' energy: -83.257 flat angles P-C4'-P energy: -60.772 tors. eta vs tors. theta energy: -75.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -801.154934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.154934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.154934 (E_RNA) where: Base-Base interactions energy: -434.685 where: short stacking energy: -278.743 Base-Backbone interact. energy: 0.313 local terms energy: -366.783192 where: bonds (distance) C4'-P energy: -74.995 bonds (distance) P-C4' energy: -90.259 flat angles C4'-P-C4' energy: -82.392 flat angles P-C4'-P energy: -60.594 tors. eta vs tors. theta energy: -58.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -844.326796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.326796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.326796 (E_RNA) where: Base-Base interactions energy: -508.863 where: short stacking energy: -257.338 Base-Backbone interact. energy: -1.123 local terms energy: -334.340786 where: bonds (distance) C4'-P energy: -68.188 bonds (distance) P-C4' energy: -85.874 flat angles C4'-P-C4' energy: -82.319 flat angles P-C4'-P energy: -52.529 tors. eta vs tors. theta energy: -45.431 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: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -852.651216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.651216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.651216 (E_RNA) where: Base-Base interactions energy: -519.416 where: short stacking energy: -283.626 Base-Backbone interact. energy: 0.612 local terms energy: -333.846736 where: bonds (distance) C4'-P energy: -68.862 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -82.035 flat angles P-C4'-P energy: -52.717 tors. eta vs tors. theta energy: -65.567 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: 1 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -540.433083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.433083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.433083 (E_RNA) where: Base-Base interactions energy: -231.560 where: short stacking energy: -169.183 Base-Backbone interact. energy: -0.176 local terms energy: -308.696819 where: bonds (distance) C4'-P energy: -84.080 bonds (distance) P-C4' energy: -75.760 flat angles C4'-P-C4' energy: -73.641 flat angles P-C4'-P energy: -53.004 tors. eta vs tors. theta energy: -22.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -543.599287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.599287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.599287 (E_RNA) where: Base-Base interactions energy: -285.760 where: short stacking energy: -166.440 Base-Backbone interact. energy: -0.400 local terms energy: -257.440019 where: bonds (distance) C4'-P energy: -72.744 bonds (distance) P-C4' energy: -71.021 flat angles C4'-P-C4' energy: -62.043 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -526.309736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.309736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.309736 (E_RNA) where: Base-Base interactions energy: -285.480 where: short stacking energy: -183.181 Base-Backbone interact. energy: 0.788 local terms energy: -241.618376 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -72.798 flat angles C4'-P-C4' energy: -63.061 flat angles P-C4'-P energy: -27.205 tors. eta vs tors. theta energy: -19.459 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: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -403.790016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.790016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.790016 (E_RNA) where: Base-Base interactions energy: -146.059 where: short stacking energy: -130.745 Base-Backbone interact. energy: 0.290 local terms energy: -258.020470 where: bonds (distance) C4'-P energy: -78.709 bonds (distance) P-C4' energy: -86.495 flat angles C4'-P-C4' energy: -65.247 flat angles P-C4'-P energy: -30.107 tors. eta vs tors. theta energy: 2.537 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: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -362.301852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.301852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.301852 (E_RNA) where: Base-Base interactions energy: -148.278 where: short stacking energy: -120.397 Base-Backbone interact. energy: -2.846 local terms energy: -211.177861 where: bonds (distance) C4'-P energy: -59.377 bonds (distance) P-C4' energy: -60.534 flat angles C4'-P-C4' energy: -66.766 flat angles P-C4'-P energy: -28.065 tors. eta vs tors. theta energy: 3.565 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: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1108.809284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.809284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.809284 (E_RNA) where: Base-Base interactions energy: -722.550 where: short stacking energy: -328.925 Base-Backbone interact. energy: -1.261 local terms energy: -384.998267 where: bonds (distance) C4'-P energy: -78.026 bonds (distance) P-C4' energy: -87.604 flat angles C4'-P-C4' energy: -89.306 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -79.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1061.467843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.467843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.467843 (E_RNA) where: Base-Base interactions energy: -694.077 where: short stacking energy: -346.242 Base-Backbone interact. energy: -3.083 local terms energy: -364.308048 where: bonds (distance) C4'-P energy: -65.197 bonds (distance) P-C4' energy: -82.988 flat angles C4'-P-C4' energy: -89.377 flat angles P-C4'-P energy: -38.242 tors. eta vs tors. theta energy: -88.504 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: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -944.586275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.586275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.586275 (E_RNA) where: Base-Base interactions energy: -603.831 where: short stacking energy: -302.772 Base-Backbone interact. energy: -0.131 local terms energy: -340.624363 where: bonds (distance) C4'-P energy: -68.849 bonds (distance) P-C4' energy: -84.043 flat angles C4'-P-C4' energy: -84.779 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -58.104 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: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -818.596579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.596579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.596579 (E_RNA) where: Base-Base interactions energy: -456.307 where: short stacking energy: -257.545 Base-Backbone interact. energy: -1.663 local terms energy: -360.626565 where: bonds (distance) C4'-P energy: -88.625 bonds (distance) P-C4' energy: -81.743 flat angles C4'-P-C4' energy: -79.223 flat angles P-C4'-P energy: -51.682 tors. eta vs tors. theta energy: -59.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -914.037485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.037485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.037485 (E_RNA) where: Base-Base interactions energy: -561.484 where: short stacking energy: -300.462 Base-Backbone interact. energy: 1.015 local terms energy: -353.568413 where: bonds (distance) C4'-P energy: -73.236 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -82.351 flat angles P-C4'-P energy: -47.322 tors. eta vs tors. theta energy: -69.976 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: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -535.204161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.204161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.204161 (E_RNA) where: Base-Base interactions energy: -247.159 where: short stacking energy: -186.486 Base-Backbone interact. energy: 2.935 local terms energy: -290.979807 where: bonds (distance) C4'-P energy: -74.864 bonds (distance) P-C4' energy: -88.008 flat angles C4'-P-C4' energy: -71.535 flat angles P-C4'-P energy: -40.564 tors. eta vs tors. theta energy: -16.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -587.628067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.628067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.628067 (E_RNA) where: Base-Base interactions energy: -294.177 where: short stacking energy: -199.225 Base-Backbone interact. energy: -0.948 local terms energy: -292.502209 where: bonds (distance) C4'-P energy: -71.953 bonds (distance) P-C4' energy: -81.344 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -35.551 tors. eta vs tors. theta energy: -36.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -565.152112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.152112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.152112 (E_RNA) where: Base-Base interactions energy: -305.125 where: short stacking energy: -176.187 Base-Backbone interact. energy: 0.182 local terms energy: -260.208773 where: bonds (distance) C4'-P energy: -59.671 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -74.669 flat angles P-C4'-P energy: -42.148 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: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -397.732894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.732894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.732894 (E_RNA) where: Base-Base interactions energy: -153.515 where: short stacking energy: -111.100 Base-Backbone interact. energy: -0.703 local terms energy: -243.514859 where: bonds (distance) C4'-P energy: -66.533 bonds (distance) P-C4' energy: -82.549 flat angles C4'-P-C4' energy: -61.795 flat angles P-C4'-P energy: -33.995 tors. eta vs tors. theta energy: 1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -352.500599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.500599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.500599 (E_RNA) where: Base-Base interactions energy: -136.820 where: short stacking energy: -118.372 Base-Backbone interact. energy: 4.564 local terms energy: -220.244399 where: bonds (distance) C4'-P energy: -77.985 bonds (distance) P-C4' energy: -62.973 flat angles C4'-P-C4' energy: -61.863 flat angles P-C4'-P energy: -16.332 tors. eta vs tors. theta energy: -1.092 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: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1131.253856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.253856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.253856 (E_RNA) where: Base-Base interactions energy: -714.906 where: short stacking energy: -338.481 Base-Backbone interact. energy: -1.859 local terms energy: -414.488236 where: bonds (distance) C4'-P energy: -88.658 bonds (distance) P-C4' energy: -94.611 flat angles C4'-P-C4' energy: -93.466 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: -87.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1079.245527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.245527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.245527 (E_RNA) where: Base-Base interactions energy: -684.747 where: short stacking energy: -337.552 Base-Backbone interact. energy: -2.834 local terms energy: -391.664490 where: bonds (distance) C4'-P energy: -80.228 bonds (distance) P-C4' energy: -82.351 flat angles C4'-P-C4' energy: -98.236 flat angles P-C4'-P energy: -51.791 tors. eta vs tors. theta energy: -79.059 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: 3, replica: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -923.864468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.864468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.864468 (E_RNA) where: Base-Base interactions energy: -548.605 where: short stacking energy: -290.238 Base-Backbone interact. energy: -0.835 local terms energy: -374.424955 where: bonds (distance) C4'-P energy: -73.947 bonds (distance) P-C4' energy: -84.428 flat angles C4'-P-C4' energy: -86.216 flat angles P-C4'-P energy: -60.766 tors. eta vs tors. theta energy: -69.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -931.922971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.922971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.922971 (E_RNA) where: Base-Base interactions energy: -587.892 where: short stacking energy: -309.121 Base-Backbone interact. energy: -1.144 local terms energy: -342.887356 where: bonds (distance) C4'-P energy: -69.320 bonds (distance) P-C4' energy: -59.226 flat angles C4'-P-C4' energy: -91.886 flat angles P-C4'-P energy: -55.169 tors. eta vs tors. theta energy: -67.287 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: 15 Temperature: 1.100000 Total energy: -759.458782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.458782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.458782 (E_RNA) where: Base-Base interactions energy: -432.620 where: short stacking energy: -238.508 Base-Backbone interact. energy: -1.715 local terms energy: -325.123877 where: bonds (distance) C4'-P energy: -68.088 bonds (distance) P-C4' energy: -66.962 flat angles C4'-P-C4' energy: -74.850 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: -59.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -688.887026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.887026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.887026 (E_RNA) where: Base-Base interactions energy: -361.549 where: short stacking energy: -208.201 Base-Backbone interact. energy: -0.836 local terms energy: -326.501075 where: bonds (distance) C4'-P energy: -77.976 bonds (distance) P-C4' energy: -75.464 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -52.202 tors. eta vs tors. theta energy: -50.604 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: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -518.175195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.175195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.175195 (E_RNA) where: Base-Base interactions energy: -255.829 where: short stacking energy: -186.861 Base-Backbone interact. energy: 2.274 local terms energy: -264.619467 where: bonds (distance) C4'-P energy: -75.717 bonds (distance) P-C4' energy: -76.061 flat angles C4'-P-C4' energy: -35.047 flat angles P-C4'-P energy: -47.383 tors. eta vs tors. theta energy: -30.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -534.069607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.069607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.069607 (E_RNA) where: Base-Base interactions energy: -255.893 where: short stacking energy: -157.475 Base-Backbone interact. energy: 0.462 local terms energy: -278.638969 where: bonds (distance) C4'-P energy: -85.470 bonds (distance) P-C4' energy: -91.043 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -32.151 tors. eta vs tors. theta energy: 0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -400.104832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.104832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.104832 (E_RNA) where: Base-Base interactions energy: -135.936 where: short stacking energy: -111.427 Base-Backbone interact. energy: 2.288 local terms energy: -266.456576 where: bonds (distance) C4'-P energy: -69.271 bonds (distance) P-C4' energy: -75.952 flat angles C4'-P-C4' energy: -71.217 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -6.865 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: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -348.743075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.743075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.743075 (E_RNA) where: Base-Base interactions energy: -135.552 where: short stacking energy: -121.621 Base-Backbone interact. energy: 4.749 local terms energy: -217.940308 where: bonds (distance) C4'-P energy: -63.063 bonds (distance) P-C4' energy: -75.366 flat angles C4'-P-C4' energy: -41.342 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: 2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1140.020169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.020169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.020169 (E_RNA) where: Base-Base interactions energy: -735.642 where: short stacking energy: -355.900 Base-Backbone interact. energy: -1.323 local terms energy: -403.055437 where: bonds (distance) C4'-P energy: -89.157 bonds (distance) P-C4' energy: -85.720 flat angles C4'-P-C4' energy: -86.524 flat angles P-C4'-P energy: -52.286 tors. eta vs tors. theta energy: -89.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1072.575777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.575777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.575777 (E_RNA) where: Base-Base interactions energy: -702.564 where: short stacking energy: -318.292 Base-Backbone interact. energy: -4.323 local terms energy: -365.688862 where: bonds (distance) C4'-P energy: -85.795 bonds (distance) P-C4' energy: -77.234 flat angles C4'-P-C4' energy: -86.566 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: -60.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -970.451758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.451758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.451758 (E_RNA) where: Base-Base interactions energy: -608.591 where: short stacking energy: -313.584 Base-Backbone interact. energy: 3.141 local terms energy: -365.002075 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -68.005 flat angles C4'-P-C4' energy: -90.456 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -78.467 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: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -897.346653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.346653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.346653 (E_RNA) where: Base-Base interactions energy: -537.984 where: short stacking energy: -261.109 Base-Backbone interact. energy: 0.836 local terms energy: -360.198942 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -80.126 flat angles C4'-P-C4' energy: -90.619 flat angles P-C4'-P energy: -55.711 tors. eta vs tors. theta energy: -54.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -807.338506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.338506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.338506 (E_RNA) where: Base-Base interactions energy: -453.999 where: short stacking energy: -251.032 Base-Backbone interact. energy: 1.532 local terms energy: -354.871121 where: bonds (distance) C4'-P energy: -79.380 bonds (distance) P-C4' energy: -80.394 flat angles C4'-P-C4' energy: -81.129 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -62.845 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: 8 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -652.198352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.198352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.198352 (E_RNA) where: Base-Base interactions energy: -336.020 where: short stacking energy: -188.746 Base-Backbone interact. energy: -0.699 local terms energy: -315.479202 where: bonds (distance) C4'-P energy: -75.220 bonds (distance) P-C4' energy: -91.898 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -46.907 tors. eta vs tors. theta energy: -29.508 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: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -626.272918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.272918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.272918 (E_RNA) where: Base-Base interactions energy: -325.129 where: short stacking energy: -195.668 Base-Backbone interact. energy: -1.563 local terms energy: -299.579958 where: bonds (distance) C4'-P energy: -63.447 bonds (distance) P-C4' energy: -61.498 flat angles C4'-P-C4' energy: -75.756 flat angles P-C4'-P energy: -57.232 tors. eta vs tors. theta energy: -41.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -467.230641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.230641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.230641 (E_RNA) where: Base-Base interactions energy: -196.688 where: short stacking energy: -130.945 Base-Backbone interact. energy: 5.075 local terms energy: -275.617872 where: bonds (distance) C4'-P energy: -74.772 bonds (distance) P-C4' energy: -73.428 flat angles C4'-P-C4' energy: -77.921 flat angles P-C4'-P energy: -47.477 tors. eta vs tors. theta energy: -2.020 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: 16 Temperature: 1.300000 Total energy: -414.370331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.370331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.370331 (E_RNA) where: Base-Base interactions energy: -176.685 where: short stacking energy: -133.606 Base-Backbone interact. energy: -0.277 local terms energy: -237.408182 where: bonds (distance) C4'-P energy: -78.835 bonds (distance) P-C4' energy: -59.609 flat angles C4'-P-C4' energy: -56.643 flat angles P-C4'-P energy: -38.481 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -333.273030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.273030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.273030 (E_RNA) where: Base-Base interactions energy: -119.756 where: short stacking energy: -79.128 Base-Backbone interact. energy: -0.566 local terms energy: -212.951564 where: bonds (distance) C4'-P energy: -73.578 bonds (distance) P-C4' energy: -74.143 flat angles C4'-P-C4' energy: -52.918 flat angles P-C4'-P energy: -31.355 tors. eta vs tors. theta energy: 19.041 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: 17 Temperature: 0.900000 Total energy: -1171.227410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.227410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.227410 (E_RNA) where: Base-Base interactions energy: -774.445 where: short stacking energy: -363.732 Base-Backbone interact. energy: -2.156 local terms energy: -394.626442 where: bonds (distance) C4'-P energy: -80.493 bonds (distance) P-C4' energy: -82.476 flat angles C4'-P-C4' energy: -86.135 flat angles P-C4'-P energy: -57.306 tors. eta vs tors. theta energy: -88.216 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: 10 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1101.951730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.951730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.951730 (E_RNA) where: Base-Base interactions energy: -738.921 where: short stacking energy: -325.796 Base-Backbone interact. energy: 0.325 local terms energy: -363.355771 where: bonds (distance) C4'-P energy: -72.568 bonds (distance) P-C4' energy: -86.169 flat angles C4'-P-C4' energy: -86.540 flat angles P-C4'-P energy: -52.681 tors. eta vs tors. theta energy: -65.398 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: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1015.368189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.368189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.368189 (E_RNA) where: Base-Base interactions energy: -628.747 where: short stacking energy: -335.874 Base-Backbone interact. energy: -1.729 local terms energy: -384.892087 where: bonds (distance) C4'-P energy: -78.827 bonds (distance) P-C4' energy: -92.388 flat angles C4'-P-C4' energy: -81.875 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: -81.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -903.194328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.194328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.194328 (E_RNA) where: Base-Base interactions energy: -542.163 where: short stacking energy: -301.386 Base-Backbone interact. energy: -2.954 local terms energy: -358.077465 where: bonds (distance) C4'-P energy: -70.785 bonds (distance) P-C4' energy: -82.275 flat angles C4'-P-C4' energy: -82.343 flat angles P-C4'-P energy: -61.011 tors. eta vs tors. theta energy: -61.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -840.644032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.644032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.644032 (E_RNA) where: Base-Base interactions energy: -525.543 where: short stacking energy: -235.734 Base-Backbone interact. energy: -2.285 local terms energy: -312.815545 where: bonds (distance) C4'-P energy: -81.224 bonds (distance) P-C4' energy: -72.712 flat angles C4'-P-C4' energy: -59.462 flat angles P-C4'-P energy: -55.273 tors. eta vs tors. theta energy: -44.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -660.312367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.312367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.312367 (E_RNA) where: Base-Base interactions energy: -365.451 where: short stacking energy: -222.226 Base-Backbone interact. energy: 1.457 local terms energy: -296.318754 where: bonds (distance) C4'-P energy: -70.922 bonds (distance) P-C4' energy: -76.879 flat angles C4'-P-C4' energy: -67.823 flat angles P-C4'-P energy: -40.599 tors. eta vs tors. theta energy: -40.095 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: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -614.440909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.440909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.440909 (E_RNA) where: Base-Base interactions energy: -321.618 where: short stacking energy: -207.918 Base-Backbone interact. energy: -0.945 local terms energy: -291.878216 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -87.959 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -37.870 tors. eta vs tors. theta energy: -28.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -504.647586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.647586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.647586 (E_RNA) where: Base-Base interactions energy: -226.691 where: short stacking energy: -165.148 Base-Backbone interact. energy: -0.180 local terms energy: -277.776789 where: bonds (distance) C4'-P energy: -70.883 bonds (distance) P-C4' energy: -71.313 flat angles C4'-P-C4' energy: -66.600 flat angles P-C4'-P energy: -51.421 tors. eta vs tors. theta energy: -17.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -411.949647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.949647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.949647 (E_RNA) where: Base-Base interactions energy: -172.211 where: short stacking energy: -109.072 Base-Backbone interact. energy: -0.620 local terms energy: -239.118298 where: bonds (distance) C4'-P energy: -66.098 bonds (distance) P-C4' energy: -87.938 flat angles C4'-P-C4' energy: -57.790 flat angles P-C4'-P energy: -27.165 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -384.419504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.419504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.419504 (E_RNA) where: Base-Base interactions energy: -145.715 where: short stacking energy: -115.184 Base-Backbone interact. energy: -0.992 local terms energy: -237.712917 where: bonds (distance) C4'-P energy: -68.060 bonds (distance) P-C4' energy: -73.349 flat angles C4'-P-C4' energy: -65.908 flat angles P-C4'-P energy: -38.420 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: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1207.044775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.044775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.044775 (E_RNA) where: Base-Base interactions energy: -789.676 where: short stacking energy: -377.202 Base-Backbone interact. energy: -2.997 local terms energy: -414.371462 where: bonds (distance) C4'-P energy: -83.547 bonds (distance) P-C4' energy: -88.992 flat angles C4'-P-C4' energy: -90.690 flat angles P-C4'-P energy: -61.819 tors. eta vs tors. theta energy: -89.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1087.740999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.740999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.740999 (E_RNA) where: Base-Base interactions energy: -725.087 where: short stacking energy: -330.581 Base-Backbone interact. energy: -3.453 local terms energy: -359.201044 where: bonds (distance) C4'-P energy: -80.652 bonds (distance) P-C4' energy: -73.414 flat angles C4'-P-C4' energy: -82.313 flat angles P-C4'-P energy: -54.810 tors. eta vs tors. theta energy: -68.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -999.562221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.562221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.562221 (E_RNA) where: Base-Base interactions energy: -631.995 where: short stacking energy: -336.513 Base-Backbone interact. energy: -0.810 local terms energy: -366.756585 where: bonds (distance) C4'-P energy: -70.517 bonds (distance) P-C4' energy: -68.101 flat angles C4'-P-C4' energy: -95.503 flat angles P-C4'-P energy: -55.671 tors. eta vs tors. theta energy: -76.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -889.362903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.362903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.362903 (E_RNA) where: Base-Base interactions energy: -546.279 where: short stacking energy: -279.482 Base-Backbone interact. energy: -1.156 local terms energy: -341.927805 where: bonds (distance) C4'-P energy: -78.977 bonds (distance) P-C4' energy: -79.403 flat angles C4'-P-C4' energy: -82.721 flat angles P-C4'-P energy: -45.276 tors. eta vs tors. theta energy: -55.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -833.007823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.007823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.007823 (E_RNA) where: Base-Base interactions energy: -527.466 where: short stacking energy: -256.850 Base-Backbone interact. energy: -1.061 local terms energy: -304.480472 where: bonds (distance) C4'-P energy: -68.002 bonds (distance) P-C4' energy: -78.003 flat angles C4'-P-C4' energy: -70.412 flat angles P-C4'-P energy: -46.220 tors. eta vs tors. theta energy: -41.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -677.258840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.258840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.258840 (E_RNA) where: Base-Base interactions energy: -371.420 where: short stacking energy: -180.576 Base-Backbone interact. energy: -3.654 local terms energy: -302.184399 where: bonds (distance) C4'-P energy: -81.903 bonds (distance) P-C4' energy: -69.162 flat angles C4'-P-C4' energy: -79.828 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -22.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -556.682991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.682991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.682991 (E_RNA) where: Base-Base interactions energy: -301.298 where: short stacking energy: -174.347 Base-Backbone interact. energy: 2.966 local terms energy: -258.350806 where: bonds (distance) C4'-P energy: -69.671 bonds (distance) P-C4' energy: -68.707 flat angles C4'-P-C4' energy: -61.317 flat angles P-C4'-P energy: -44.222 tors. eta vs tors. theta energy: -14.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -456.580208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.580208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.580208 (E_RNA) where: Base-Base interactions energy: -199.306 where: short stacking energy: -150.852 Base-Backbone interact. energy: 0.572 local terms energy: -257.846454 where: bonds (distance) C4'-P energy: -76.275 bonds (distance) P-C4' energy: -90.219 flat angles C4'-P-C4' energy: -56.975 flat angles P-C4'-P energy: -32.856 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -452.706217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.706217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.706217 (E_RNA) where: Base-Base interactions energy: -223.683 where: short stacking energy: -134.157 Base-Backbone interact. energy: -0.225 local terms energy: -228.797476 where: bonds (distance) C4'-P energy: -60.067 bonds (distance) P-C4' energy: -53.932 flat angles C4'-P-C4' energy: -63.701 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -356.169255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.169255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.169255 (E_RNA) where: Base-Base interactions energy: -142.450 where: short stacking energy: -107.725 Base-Backbone interact. energy: 2.327 local terms energy: -216.046574 where: bonds (distance) C4'-P energy: -76.216 bonds (distance) P-C4' energy: -76.645 flat angles C4'-P-C4' energy: -34.863 flat angles P-C4'-P energy: -35.026 tors. eta vs tors. theta energy: 6.704 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: 19 Temperature: 0.900000 Total energy: -1228.397600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.397600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.397600 (E_RNA) where: Base-Base interactions energy: -821.656 where: short stacking energy: -381.494 Base-Backbone interact. energy: -2.112 local terms energy: -404.629492 where: bonds (distance) C4'-P energy: -75.463 bonds (distance) P-C4' energy: -82.360 flat angles C4'-P-C4' energy: -97.172 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -96.171 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: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1118.345265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.345265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.345265 (E_RNA) where: Base-Base interactions energy: -740.402 where: short stacking energy: -346.252 Base-Backbone interact. energy: 2.249 local terms energy: -380.191883 where: bonds (distance) C4'-P energy: -86.976 bonds (distance) P-C4' energy: -64.559 flat angles C4'-P-C4' energy: -78.993 flat angles P-C4'-P energy: -71.118 tors. eta vs tors. theta energy: -78.545 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: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -999.480819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.480819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.480819 (E_RNA) where: Base-Base interactions energy: -652.621 where: short stacking energy: -306.593 Base-Backbone interact. energy: -1.281 local terms energy: -345.579191 where: bonds (distance) C4'-P energy: -72.381 bonds (distance) P-C4' energy: -77.855 flat angles C4'-P-C4' energy: -83.120 flat angles P-C4'-P energy: -46.381 tors. eta vs tors. theta energy: -65.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -926.264699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.264699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.264699 (E_RNA) where: Base-Base interactions energy: -562.013 where: short stacking energy: -299.005 Base-Backbone interact. energy: -2.067 local terms energy: -362.184180 where: bonds (distance) C4'-P energy: -83.032 bonds (distance) P-C4' energy: -67.825 flat angles C4'-P-C4' energy: -78.601 flat angles P-C4'-P energy: -61.469 tors. eta vs tors. theta energy: -71.257 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: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -854.643520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.643520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.643520 (E_RNA) where: Base-Base interactions energy: -540.285 where: short stacking energy: -240.832 Base-Backbone interact. energy: -1.725 local terms energy: -312.633197 where: bonds (distance) C4'-P energy: -67.556 bonds (distance) P-C4' energy: -81.209 flat angles C4'-P-C4' energy: -81.081 flat angles P-C4'-P energy: -46.759 tors. eta vs tors. theta energy: -36.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -690.314479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.314479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.314479 (E_RNA) where: Base-Base interactions energy: -386.093 where: short stacking energy: -251.149 Base-Backbone interact. energy: 3.783 local terms energy: -308.004651 where: bonds (distance) C4'-P energy: -70.148 bonds (distance) P-C4' energy: -75.102 flat angles C4'-P-C4' energy: -78.532 flat angles P-C4'-P energy: -38.218 tors. eta vs tors. theta energy: -46.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -639.803591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.803591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.803591 (E_RNA) where: Base-Base interactions energy: -339.744 where: short stacking energy: -197.072 Base-Backbone interact. energy: 0.767 local terms energy: -300.826140 where: bonds (distance) C4'-P energy: -77.588 bonds (distance) P-C4' energy: -81.206 flat angles C4'-P-C4' energy: -56.667 flat angles P-C4'-P energy: -48.455 tors. eta vs tors. theta energy: -36.910 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: 8, replica: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -526.637848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.637848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.637848 (E_RNA) where: Base-Base interactions energy: -234.944 where: short stacking energy: -135.165 Base-Backbone interact. energy: 1.086 local terms energy: -292.779280 where: bonds (distance) C4'-P energy: -76.799 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -78.947 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -13.847 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: 19 Temperature: 1.300000 Total energy: -556.254463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.254463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.254463 (E_RNA) where: Base-Base interactions energy: -287.546 where: short stacking energy: -166.708 Base-Backbone interact. energy: 0.511 local terms energy: -269.219232 where: bonds (distance) C4'-P energy: -72.218 bonds (distance) P-C4' energy: -78.001 flat angles C4'-P-C4' energy: -58.103 flat angles P-C4'-P energy: -37.489 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: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -349.315228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.315228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.315228 (E_RNA) where: Base-Base interactions energy: -136.144 where: short stacking energy: -97.484 Base-Backbone interact. energy: 0.316 local terms energy: -213.486304 where: bonds (distance) C4'-P energy: -75.062 bonds (distance) P-C4' energy: -69.357 flat angles C4'-P-C4' energy: -61.419 flat angles P-C4'-P energy: -25.397 tors. eta vs tors. theta energy: 17.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1208.834422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.834422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.834422 (E_RNA) where: Base-Base interactions energy: -781.353 where: short stacking energy: -390.444 Base-Backbone interact. energy: -2.690 local terms energy: -424.791487 where: bonds (distance) C4'-P energy: -78.349 bonds (distance) P-C4' energy: -77.948 flat angles C4'-P-C4' energy: -98.551 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -102.735 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: 2, replica: 10 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1116.382127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.382127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.382127 (E_RNA) where: Base-Base interactions energy: -762.440 where: short stacking energy: -337.252 Base-Backbone interact. energy: -0.725 local terms energy: -353.216913 where: bonds (distance) C4'-P energy: -84.050 bonds (distance) P-C4' energy: -83.340 flat angles C4'-P-C4' energy: -78.842 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -59.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1029.964259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.964259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.964259 (E_RNA) where: Base-Base interactions energy: -688.468 where: short stacking energy: -319.017 Base-Backbone interact. energy: -2.724 local terms energy: -338.772002 where: bonds (distance) C4'-P energy: -66.074 bonds (distance) P-C4' energy: -73.179 flat angles C4'-P-C4' energy: -80.529 flat angles P-C4'-P energy: -52.977 tors. eta vs tors. theta energy: -66.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -903.982780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.982780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.982780 (E_RNA) where: Base-Base interactions energy: -556.404 where: short stacking energy: -287.341 Base-Backbone interact. energy: -0.764 local terms energy: -346.814234 where: bonds (distance) C4'-P energy: -74.930 bonds (distance) P-C4' energy: -85.606 flat angles C4'-P-C4' energy: -68.981 flat angles P-C4'-P energy: -55.350 tors. eta vs tors. theta energy: -61.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -877.703161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.703161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.703161 (E_RNA) where: Base-Base interactions energy: -537.650 where: short stacking energy: -253.711 Base-Backbone interact. energy: 2.011 local terms energy: -342.064271 where: bonds (distance) C4'-P energy: -71.074 bonds (distance) P-C4' energy: -84.516 flat angles C4'-P-C4' energy: -79.915 flat angles P-C4'-P energy: -45.688 tors. eta vs tors. theta energy: -60.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -702.058818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.058818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.058818 (E_RNA) where: Base-Base interactions energy: -382.437 where: short stacking energy: -228.969 Base-Backbone interact. energy: -1.155 local terms energy: -318.466597 where: bonds (distance) C4'-P energy: -70.368 bonds (distance) P-C4' energy: -81.086 flat angles C4'-P-C4' energy: -70.426 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -43.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -550.157633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.157633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.157633 (E_RNA) where: Base-Base interactions energy: -265.062 where: short stacking energy: -170.625 Base-Backbone interact. energy: 2.116 local terms energy: -287.211340 where: bonds (distance) C4'-P energy: -72.028 bonds (distance) P-C4' energy: -71.182 flat angles C4'-P-C4' energy: -71.894 flat angles P-C4'-P energy: -46.310 tors. eta vs tors. theta energy: -25.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -604.349642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.349642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.349642 (E_RNA) where: Base-Base interactions energy: -328.277 where: short stacking energy: -192.324 Base-Backbone interact. energy: -0.707 local terms energy: -275.365682 where: bonds (distance) C4'-P energy: -61.573 bonds (distance) P-C4' energy: -83.123 flat angles C4'-P-C4' energy: -77.918 flat angles P-C4'-P energy: -24.822 tors. eta vs tors. theta energy: -27.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -553.575148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.575148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.575148 (E_RNA) where: Base-Base interactions energy: -305.957 where: short stacking energy: -161.021 Base-Backbone interact. energy: -1.195 local terms energy: -246.423534 where: bonds (distance) C4'-P energy: -59.703 bonds (distance) P-C4' energy: -81.949 flat angles C4'-P-C4' energy: -71.445 flat angles P-C4'-P energy: -27.688 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -376.218479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.218479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.218479 (E_RNA) where: Base-Base interactions energy: -142.995 where: short stacking energy: -99.312 Base-Backbone interact. energy: 0.418 local terms energy: -233.640650 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -61.220 flat angles P-C4'-P energy: -43.933 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1220.651832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.651832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.651832 (E_RNA) where: Base-Base interactions energy: -787.913 where: short stacking energy: -350.627 Base-Backbone interact. energy: -2.711 local terms energy: -430.028646 where: bonds (distance) C4'-P energy: -91.001 bonds (distance) P-C4' energy: -89.250 flat angles C4'-P-C4' energy: -91.561 flat angles P-C4'-P energy: -61.670 tors. eta vs tors. theta energy: -96.546 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: 2, replica: 10 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1099.062639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.062639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.062639 (E_RNA) where: Base-Base interactions energy: -718.968 where: short stacking energy: -337.079 Base-Backbone interact. energy: 1.485 local terms energy: -381.579547 where: bonds (distance) C4'-P energy: -82.408 bonds (distance) P-C4' energy: -76.310 flat angles C4'-P-C4' energy: -91.902 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -70.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1046.184430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.184430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.184430 (E_RNA) where: Base-Base interactions energy: -701.681 where: short stacking energy: -322.322 Base-Backbone interact. energy: 4.600 local terms energy: -349.103693 where: bonds (distance) C4'-P energy: -74.968 bonds (distance) P-C4' energy: -75.094 flat angles C4'-P-C4' energy: -90.437 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -57.509 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: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -980.764480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.764480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.764480 (E_RNA) where: Base-Base interactions energy: -630.516 where: short stacking energy: -281.163 Base-Backbone interact. energy: -1.779 local terms energy: -348.469313 where: bonds (distance) C4'-P energy: -72.899 bonds (distance) P-C4' energy: -80.132 flat angles C4'-P-C4' energy: -85.287 flat angles P-C4'-P energy: -45.804 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: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -872.053876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.053876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.053876 (E_RNA) where: Base-Base interactions energy: -524.028 where: short stacking energy: -276.056 Base-Backbone interact. energy: 0.318 local terms energy: -348.344466 where: bonds (distance) C4'-P energy: -73.371 bonds (distance) P-C4' energy: -77.438 flat angles C4'-P-C4' energy: -92.563 flat angles P-C4'-P energy: -49.432 tors. eta vs tors. theta energy: -55.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -687.197773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.197773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.197773 (E_RNA) where: Base-Base interactions energy: -393.604 where: short stacking energy: -214.366 Base-Backbone interact. energy: -0.122 local terms energy: -293.471770 where: bonds (distance) C4'-P energy: -62.659 bonds (distance) P-C4' energy: -81.517 flat angles C4'-P-C4' energy: -71.926 flat angles P-C4'-P energy: -43.727 tors. eta vs tors. theta energy: -33.643 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: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -612.873154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.873154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.873154 (E_RNA) where: Base-Base interactions energy: -346.233 where: short stacking energy: -170.694 Base-Backbone interact. energy: -1.053 local terms energy: -265.587834 where: bonds (distance) C4'-P energy: -64.957 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -65.522 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: -22.540 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: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -591.929601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.929601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.929601 (E_RNA) where: Base-Base interactions energy: -326.629 where: short stacking energy: -191.159 Base-Backbone interact. energy: -0.551 local terms energy: -264.749827 where: bonds (distance) C4'-P energy: -74.117 bonds (distance) P-C4' energy: -67.883 flat angles C4'-P-C4' energy: -65.475 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: -10.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -609.062330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.062330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.062330 (E_RNA) where: Base-Base interactions energy: -337.483 where: short stacking energy: -168.457 Base-Backbone interact. energy: -0.740 local terms energy: -270.839355 where: bonds (distance) C4'-P energy: -69.673 bonds (distance) P-C4' energy: -80.229 flat angles C4'-P-C4' energy: -69.490 flat angles P-C4'-P energy: -27.668 tors. eta vs tors. theta energy: -23.780 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: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -351.948810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.948810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.948810 (E_RNA) where: Base-Base interactions energy: -108.709 where: short stacking energy: -101.856 Base-Backbone interact. energy: -2.222 local terms energy: -241.017844 where: bonds (distance) C4'-P energy: -62.038 bonds (distance) P-C4' energy: -83.253 flat angles C4'-P-C4' energy: -61.686 flat angles P-C4'-P energy: -43.596 tors. eta vs tors. theta energy: 9.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1284.262404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.262404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.262404 (E_RNA) where: Base-Base interactions energy: -843.630 where: short stacking energy: -414.349 Base-Backbone interact. energy: -2.048 local terms energy: -438.584704 where: bonds (distance) C4'-P energy: -93.299 bonds (distance) P-C4' energy: -84.910 flat angles C4'-P-C4' energy: -88.330 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -109.169 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: 2, replica: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1115.355074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.355074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.355074 (E_RNA) where: Base-Base interactions energy: -735.657 where: short stacking energy: -348.511 Base-Backbone interact. energy: -2.120 local terms energy: -377.578395 where: bonds (distance) C4'-P energy: -74.360 bonds (distance) P-C4' energy: -83.603 flat angles C4'-P-C4' energy: -94.237 flat angles P-C4'-P energy: -50.329 tors. eta vs tors. theta energy: -75.048 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: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1052.377517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.377517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.377517 (E_RNA) where: Base-Base interactions energy: -690.560 where: short stacking energy: -306.554 Base-Backbone interact. energy: 1.689 local terms energy: -363.506200 where: bonds (distance) C4'-P energy: -91.028 bonds (distance) P-C4' energy: -82.986 flat angles C4'-P-C4' energy: -75.210 flat angles P-C4'-P energy: -44.561 tors. eta vs tors. theta energy: -69.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1032.104769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.104769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.104769 (E_RNA) where: Base-Base interactions energy: -650.729 where: short stacking energy: -309.666 Base-Backbone interact. energy: -2.179 local terms energy: -379.196657 where: bonds (distance) C4'-P energy: -68.740 bonds (distance) P-C4' energy: -83.863 flat angles C4'-P-C4' energy: -93.994 flat angles P-C4'-P energy: -56.007 tors. eta vs tors. theta energy: -76.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -835.367624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.367624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.367624 (E_RNA) where: Base-Base interactions energy: -499.173 where: short stacking energy: -253.306 Base-Backbone interact. energy: -1.280 local terms energy: -334.914919 where: bonds (distance) C4'-P energy: -80.765 bonds (distance) P-C4' energy: -72.838 flat angles C4'-P-C4' energy: -82.074 flat angles P-C4'-P energy: -50.881 tors. eta vs tors. theta energy: -48.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -717.263966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.263966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.263966 (E_RNA) where: Base-Base interactions energy: -382.194 where: short stacking energy: -246.085 Base-Backbone interact. energy: -0.738 local terms energy: -334.332208 where: bonds (distance) C4'-P energy: -72.375 bonds (distance) P-C4' energy: -93.829 flat angles C4'-P-C4' energy: -70.954 flat angles P-C4'-P energy: -43.524 tors. eta vs tors. theta energy: -53.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -634.659339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.659339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.659339 (E_RNA) where: Base-Base interactions energy: -351.852 where: short stacking energy: -180.581 Base-Backbone interact. energy: -2.167 local terms energy: -280.640622 where: bonds (distance) C4'-P energy: -72.985 bonds (distance) P-C4' energy: -74.734 flat angles C4'-P-C4' energy: -70.837 flat angles P-C4'-P energy: -44.829 tors. eta vs tors. theta energy: -17.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -580.714327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.714327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.714327 (E_RNA) where: Base-Base interactions energy: -307.706 where: short stacking energy: -185.505 Base-Backbone interact. energy: -0.903 local terms energy: -272.105535 where: bonds (distance) C4'-P energy: -70.560 bonds (distance) P-C4' energy: -63.519 flat angles C4'-P-C4' energy: -55.729 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -32.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -578.299603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.299603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.299603 (E_RNA) where: Base-Base interactions energy: -312.014 where: short stacking energy: -200.723 Base-Backbone interact. energy: -0.852 local terms energy: -265.434104 where: bonds (distance) C4'-P energy: -64.140 bonds (distance) P-C4' energy: -68.291 flat angles C4'-P-C4' energy: -54.628 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: -31.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -360.900501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.900501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.900501 (E_RNA) where: Base-Base interactions energy: -145.850 where: short stacking energy: -111.675 Base-Backbone interact. energy: -0.361 local terms energy: -214.688995 where: bonds (distance) C4'-P energy: -58.712 bonds (distance) P-C4' energy: -69.509 flat angles C4'-P-C4' energy: -63.610 flat angles P-C4'-P energy: -36.074 tors. eta vs tors. theta energy: 13.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1292.415718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.415718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.415718 (E_RNA) where: Base-Base interactions energy: -870.516 where: short stacking energy: -398.854 Base-Backbone interact. energy: -1.177 local terms energy: -420.722307 where: bonds (distance) C4'-P energy: -85.814 bonds (distance) P-C4' energy: -81.761 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -59.141 tors. eta vs tors. theta energy: -106.358 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: 10 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1110.592680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.592680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.592680 (E_RNA) where: Base-Base interactions energy: -721.343 where: short stacking energy: -337.219 Base-Backbone interact. energy: -4.459 local terms energy: -384.790986 where: bonds (distance) C4'-P energy: -81.928 bonds (distance) P-C4' energy: -80.872 flat angles C4'-P-C4' energy: -90.043 flat angles P-C4'-P energy: -60.744 tors. eta vs tors. theta energy: -71.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1105.862147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.862147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.862147 (E_RNA) where: Base-Base interactions energy: -731.560 where: short stacking energy: -338.578 Base-Backbone interact. energy: -0.761 local terms energy: -373.541440 where: bonds (distance) C4'-P energy: -73.261 bonds (distance) P-C4' energy: -71.830 flat angles C4'-P-C4' energy: -91.593 flat angles P-C4'-P energy: -55.484 tors. eta vs tors. theta energy: -81.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1028.697214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.697214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.697214 (E_RNA) where: Base-Base interactions energy: -704.398 where: short stacking energy: -304.376 Base-Backbone interact. energy: -1.293 local terms energy: -323.006644 where: bonds (distance) C4'-P energy: -78.787 bonds (distance) P-C4' energy: -65.253 flat angles C4'-P-C4' energy: -76.876 flat angles P-C4'-P energy: -38.103 tors. eta vs tors. theta energy: -63.987 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: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -848.796083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.796083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.796083 (E_RNA) where: Base-Base interactions energy: -513.495 where: short stacking energy: -265.471 Base-Backbone interact. energy: 2.633 local terms energy: -337.934234 where: bonds (distance) C4'-P energy: -75.928 bonds (distance) P-C4' energy: -82.406 flat angles C4'-P-C4' energy: -84.783 flat angles P-C4'-P energy: -50.138 tors. eta vs tors. theta energy: -44.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -685.517724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.517724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.517724 (E_RNA) where: Base-Base interactions energy: -396.726 where: short stacking energy: -207.408 Base-Backbone interact. energy: -0.710 local terms energy: -288.081004 where: bonds (distance) C4'-P energy: -70.573 bonds (distance) P-C4' energy: -72.710 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -44.098 tors. eta vs tors. theta energy: -27.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -675.808128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.808128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.808128 (E_RNA) where: Base-Base interactions energy: -385.859 where: short stacking energy: -195.217 Base-Backbone interact. energy: 0.509 local terms energy: -290.458997 where: bonds (distance) C4'-P energy: -65.431 bonds (distance) P-C4' energy: -78.497 flat angles C4'-P-C4' energy: -77.623 flat angles P-C4'-P energy: -48.402 tors. eta vs tors. theta energy: -20.506 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: 23 Temperature: 1.250000 Total energy: -665.164278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.164278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.164278 (E_RNA) where: Base-Base interactions energy: -385.412 where: short stacking energy: -231.034 Base-Backbone interact. energy: 0.787 local terms energy: -280.539382 where: bonds (distance) C4'-P energy: -56.343 bonds (distance) P-C4' energy: -75.292 flat angles C4'-P-C4' energy: -73.232 flat angles P-C4'-P energy: -35.772 tors. eta vs tors. theta energy: -39.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -519.429059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.429059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.429059 (E_RNA) where: Base-Base interactions energy: -273.037 where: short stacking energy: -148.070 Base-Backbone interact. energy: 5.037 local terms energy: -251.428880 where: bonds (distance) C4'-P energy: -57.182 bonds (distance) P-C4' energy: -71.044 flat angles C4'-P-C4' energy: -71.766 flat angles P-C4'-P energy: -47.230 tors. eta vs tors. theta energy: -4.206 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: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -349.819399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.819399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.819399 (E_RNA) where: Base-Base interactions energy: -142.298 where: short stacking energy: -110.174 Base-Backbone interact. energy: 0.497 local terms energy: -208.018154 where: bonds (distance) C4'-P energy: -74.744 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -52.237 flat angles P-C4'-P energy: -20.609 tors. eta vs tors. theta energy: 8.770 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: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1287.045110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.045110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.045110 (E_RNA) where: Base-Base interactions energy: -850.862 where: short stacking energy: -393.808 Base-Backbone interact. energy: -2.870 local terms energy: -433.312860 where: bonds (distance) C4'-P energy: -86.412 bonds (distance) P-C4' energy: -96.359 flat angles C4'-P-C4' energy: -97.462 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -105.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1147.174856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.174856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.174856 (E_RNA) where: Base-Base interactions energy: -768.866 where: short stacking energy: -324.637 Base-Backbone interact. energy: 2.119 local terms energy: -380.426983 where: bonds (distance) C4'-P energy: -82.230 bonds (distance) P-C4' energy: -88.727 flat angles C4'-P-C4' energy: -81.911 flat angles P-C4'-P energy: -61.937 tors. eta vs tors. theta energy: -65.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1068.527063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.527063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.527063 (E_RNA) where: Base-Base interactions energy: -689.025 where: short stacking energy: -314.864 Base-Backbone interact. energy: -1.191 local terms energy: -378.311113 where: bonds (distance) C4'-P energy: -81.649 bonds (distance) P-C4' energy: -91.523 flat angles C4'-P-C4' energy: -88.039 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: -73.570 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: 24 Temperature: 1.050000 Total energy: -1069.527925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.527925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.527925 (E_RNA) where: Base-Base interactions energy: -699.353 where: short stacking energy: -314.907 Base-Backbone interact. energy: -3.198 local terms energy: -366.976784 where: bonds (distance) C4'-P energy: -80.246 bonds (distance) P-C4' energy: -81.654 flat angles C4'-P-C4' energy: -78.749 flat angles P-C4'-P energy: -55.931 tors. eta vs tors. theta energy: -70.396 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: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -915.981173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.981173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.981173 (E_RNA) where: Base-Base interactions energy: -577.806 where: short stacking energy: -288.840 Base-Backbone interact. energy: -1.845 local terms energy: -336.330184 where: bonds (distance) C4'-P energy: -72.290 bonds (distance) P-C4' energy: -72.542 flat angles C4'-P-C4' energy: -72.632 flat angles P-C4'-P energy: -50.855 tors. eta vs tors. theta energy: -68.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -747.174259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.174259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.174259 (E_RNA) where: Base-Base interactions energy: -457.649 where: short stacking energy: -234.182 Base-Backbone interact. energy: -1.443 local terms energy: -288.081822 where: bonds (distance) C4'-P energy: -69.790 bonds (distance) P-C4' energy: -65.579 flat angles C4'-P-C4' energy: -74.690 flat angles P-C4'-P energy: -43.368 tors. eta vs tors. theta energy: -34.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -653.202772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.202772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.202772 (E_RNA) where: Base-Base interactions energy: -371.759 where: short stacking energy: -194.995 Base-Backbone interact. energy: -0.520 local terms energy: -280.923935 where: bonds (distance) C4'-P energy: -72.809 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -69.917 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -31.463 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: 24 Temperature: 1.250000 Total energy: -644.526239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.526239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.526239 (E_RNA) where: Base-Base interactions energy: -374.766 where: short stacking energy: -198.613 Base-Backbone interact. energy: 1.769 local terms energy: -271.529078 where: bonds (distance) C4'-P energy: -57.129 bonds (distance) P-C4' energy: -75.328 flat angles C4'-P-C4' energy: -63.447 flat angles P-C4'-P energy: -51.548 tors. eta vs tors. theta energy: -24.077 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: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -568.903759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.903759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.903759 (E_RNA) where: Base-Base interactions energy: -300.424 where: short stacking energy: -162.596 Base-Backbone interact. energy: -1.761 local terms energy: -266.718311 where: bonds (distance) C4'-P energy: -71.564 bonds (distance) P-C4' energy: -80.089 flat angles C4'-P-C4' energy: -62.072 flat angles P-C4'-P energy: -37.253 tors. eta vs tors. theta energy: -15.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -358.318502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.318502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.318502 (E_RNA) where: Base-Base interactions energy: -127.482 where: short stacking energy: -99.909 Base-Backbone interact. energy: -2.679 local terms energy: -228.158065 where: bonds (distance) C4'-P energy: -61.461 bonds (distance) P-C4' energy: -74.606 flat angles C4'-P-C4' energy: -64.371 flat angles P-C4'-P energy: -24.677 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: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1287.071184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.071184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.071184 (E_RNA) where: Base-Base interactions energy: -863.990 where: short stacking energy: -411.492 Base-Backbone interact. energy: -0.425 local terms energy: -422.656081 where: bonds (distance) C4'-P energy: -71.068 bonds (distance) P-C4' energy: -82.864 flat angles C4'-P-C4' energy: -97.911 flat angles P-C4'-P energy: -59.961 tors. eta vs tors. theta energy: -110.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1148.072137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.072137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.072137 (E_RNA) where: Base-Base interactions energy: -789.407 where: short stacking energy: -348.597 Base-Backbone interact. energy: 2.638 local terms energy: -361.303352 where: bonds (distance) C4'-P energy: -74.541 bonds (distance) P-C4' energy: -81.336 flat angles C4'-P-C4' energy: -81.971 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -68.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1077.038196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.038196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.038196 (E_RNA) where: Base-Base interactions energy: -681.150 where: short stacking energy: -329.896 Base-Backbone interact. energy: -2.361 local terms energy: -393.527010 where: bonds (distance) C4'-P energy: -89.441 bonds (distance) P-C4' energy: -80.633 flat angles C4'-P-C4' energy: -83.334 flat angles P-C4'-P energy: -59.550 tors. eta vs tors. theta energy: -80.569 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: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1077.781392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.781392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.781392 (E_RNA) where: Base-Base interactions energy: -708.133 where: short stacking energy: -325.150 Base-Backbone interact. energy: -1.150 local terms energy: -368.498015 where: bonds (distance) C4'-P energy: -84.421 bonds (distance) P-C4' energy: -75.565 flat angles C4'-P-C4' energy: -82.855 flat angles P-C4'-P energy: -52.510 tors. eta vs tors. theta energy: -73.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -907.612806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.612806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.612806 (E_RNA) where: Base-Base interactions energy: -562.131 where: short stacking energy: -278.133 Base-Backbone interact. energy: -2.164 local terms energy: -343.317919 where: bonds (distance) C4'-P energy: -75.324 bonds (distance) P-C4' energy: -85.110 flat angles C4'-P-C4' energy: -71.509 flat angles P-C4'-P energy: -48.696 tors. eta vs tors. theta energy: -62.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -792.315600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.315600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.315600 (E_RNA) where: Base-Base interactions energy: -474.524 where: short stacking energy: -261.893 Base-Backbone interact. energy: -0.480 local terms energy: -317.311599 where: bonds (distance) C4'-P energy: -62.815 bonds (distance) P-C4' energy: -77.963 flat angles C4'-P-C4' energy: -78.934 flat angles P-C4'-P energy: -55.190 tors. eta vs tors. theta energy: -42.410 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: 25 Temperature: 1.200000 Total energy: -673.096102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.096102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.096102 (E_RNA) where: Base-Base interactions energy: -379.721 where: short stacking energy: -201.582 Base-Backbone interact. energy: 3.297 local terms energy: -296.672219 where: bonds (distance) C4'-P energy: -63.222 bonds (distance) P-C4' energy: -77.549 flat angles C4'-P-C4' energy: -74.099 flat angles P-C4'-P energy: -49.768 tors. eta vs tors. theta energy: -32.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -642.331361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.331361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.331361 (E_RNA) where: Base-Base interactions energy: -375.056 where: short stacking energy: -197.138 Base-Backbone interact. energy: 2.014 local terms energy: -269.290195 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -62.266 flat angles C4'-P-C4' energy: -61.971 flat angles P-C4'-P energy: -48.613 tors. eta vs tors. theta energy: -26.782 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: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -551.958586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.958586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.958586 (E_RNA) where: Base-Base interactions energy: -271.046 where: short stacking energy: -178.120 Base-Backbone interact. energy: -2.412 local terms energy: -278.500542 where: bonds (distance) C4'-P energy: -61.684 bonds (distance) P-C4' energy: -86.083 flat angles C4'-P-C4' energy: -75.107 flat angles P-C4'-P energy: -44.043 tors. eta vs tors. theta energy: -11.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -407.227468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.227468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.227468 (E_RNA) where: Base-Base interactions energy: -164.408 where: short stacking energy: -134.176 Base-Backbone interact. energy: -1.526 local terms energy: -241.293771 where: bonds (distance) C4'-P energy: -75.255 bonds (distance) P-C4' energy: -73.366 flat angles C4'-P-C4' energy: -63.911 flat angles P-C4'-P energy: -31.730 tors. eta vs tors. theta energy: 2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1278.440363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.440363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.440363 (E_RNA) where: Base-Base interactions energy: -865.391 where: short stacking energy: -372.413 Base-Backbone interact. energy: -3.737 local terms energy: -409.312151 where: bonds (distance) C4'-P energy: -85.718 bonds (distance) P-C4' energy: -83.951 flat angles C4'-P-C4' energy: -83.999 flat angles P-C4'-P energy: -56.752 tors. eta vs tors. theta energy: -98.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1102.957872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.957872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.957872 (E_RNA) where: Base-Base interactions energy: -722.149 where: short stacking energy: -315.914 Base-Backbone interact. energy: 4.250 local terms energy: -385.059446 where: bonds (distance) C4'-P energy: -85.776 bonds (distance) P-C4' energy: -82.044 flat angles C4'-P-C4' energy: -91.103 flat angles P-C4'-P energy: -58.301 tors. eta vs tors. theta energy: -67.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1107.166521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.166521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.166521 (E_RNA) where: Base-Base interactions energy: -714.540 where: short stacking energy: -368.719 Base-Backbone interact. energy: -0.746 local terms energy: -391.880777 where: bonds (distance) C4'-P energy: -68.954 bonds (distance) P-C4' energy: -85.291 flat angles C4'-P-C4' energy: -87.191 flat angles P-C4'-P energy: -58.711 tors. eta vs tors. theta energy: -91.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1074.826039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.826039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.826039 (E_RNA) where: Base-Base interactions energy: -717.314 where: short stacking energy: -324.911 Base-Backbone interact. energy: -0.724 local terms energy: -356.787932 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -80.006 flat angles C4'-P-C4' energy: -80.799 flat angles P-C4'-P energy: -40.346 tors. eta vs tors. theta energy: -81.116 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: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -911.855855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.855855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.855855 (E_RNA) where: Base-Base interactions energy: -569.622 where: short stacking energy: -275.978 Base-Backbone interact. energy: -1.727 local terms energy: -340.506715 where: bonds (distance) C4'-P energy: -76.070 bonds (distance) P-C4' energy: -76.464 flat angles C4'-P-C4' energy: -72.106 flat angles P-C4'-P energy: -46.891 tors. eta vs tors. theta energy: -68.976 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: 6, replica: 8 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -767.806848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.806848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.806848 (E_RNA) where: Base-Base interactions energy: -427.886 where: short stacking energy: -244.462 Base-Backbone interact. energy: -0.852 local terms energy: -339.069183 where: bonds (distance) C4'-P energy: -85.877 bonds (distance) P-C4' energy: -71.799 flat angles C4'-P-C4' energy: -82.151 flat angles P-C4'-P energy: -40.357 tors. eta vs tors. theta energy: -58.886 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: 26 Temperature: 1.200000 Total energy: -661.658734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.658734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.658734 (E_RNA) where: Base-Base interactions energy: -372.995 where: short stacking energy: -211.737 Base-Backbone interact. energy: -1.598 local terms energy: -287.065074 where: bonds (distance) C4'-P energy: -65.672 bonds (distance) P-C4' energy: -77.687 flat angles C4'-P-C4' energy: -61.173 flat angles P-C4'-P energy: -48.843 tors. eta vs tors. theta energy: -33.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -646.124233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.124233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.124233 (E_RNA) where: Base-Base interactions energy: -375.048 where: short stacking energy: -189.693 Base-Backbone interact. energy: -0.515 local terms energy: -270.561695 where: bonds (distance) C4'-P energy: -71.451 bonds (distance) P-C4' energy: -68.623 flat angles C4'-P-C4' energy: -69.966 flat angles P-C4'-P energy: -42.745 tors. eta vs tors. theta energy: -17.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -518.904643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.904643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.904643 (E_RNA) where: Base-Base interactions energy: -242.421 where: short stacking energy: -145.848 Base-Backbone interact. energy: 0.715 local terms energy: -277.198864 where: bonds (distance) C4'-P energy: -81.056 bonds (distance) P-C4' energy: -84.488 flat angles C4'-P-C4' energy: -65.379 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -344.518492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.518492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.518492 (E_RNA) where: Base-Base interactions energy: -138.718 where: short stacking energy: -106.565 Base-Backbone interact. energy: -0.779 local terms energy: -205.021342 where: bonds (distance) C4'-P energy: -63.469 bonds (distance) P-C4' energy: -51.892 flat angles C4'-P-C4' energy: -61.359 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: 18.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1255.917548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.917548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.917548 (E_RNA) where: Base-Base interactions energy: -834.568 where: short stacking energy: -364.486 Base-Backbone interact. energy: -2.961 local terms energy: -418.388573 where: bonds (distance) C4'-P energy: -85.922 bonds (distance) P-C4' energy: -79.486 flat angles C4'-P-C4' energy: -84.833 flat angles P-C4'-P energy: -63.013 tors. eta vs tors. theta energy: -105.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1134.357096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.357096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.357096 (E_RNA) where: Base-Base interactions energy: -747.265 where: short stacking energy: -346.688 Base-Backbone interact. energy: -0.806 local terms energy: -386.285370 where: bonds (distance) C4'-P energy: -82.465 bonds (distance) P-C4' energy: -90.335 flat angles C4'-P-C4' energy: -87.359 flat angles P-C4'-P energy: -55.970 tors. eta vs tors. theta energy: -70.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1091.917175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.917175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.917175 (E_RNA) where: Base-Base interactions energy: -705.180 where: short stacking energy: -341.653 Base-Backbone interact. energy: -1.362 local terms energy: -385.374493 where: bonds (distance) C4'-P energy: -71.170 bonds (distance) P-C4' energy: -77.404 flat angles C4'-P-C4' energy: -80.685 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -90.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1094.847565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.847565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.847565 (E_RNA) where: Base-Base interactions energy: -735.022 where: short stacking energy: -314.515 Base-Backbone interact. energy: -1.810 local terms energy: -358.016475 where: bonds (distance) C4'-P energy: -75.628 bonds (distance) P-C4' energy: -85.009 flat angles C4'-P-C4' energy: -75.440 flat angles P-C4'-P energy: -53.367 tors. eta vs tors. theta energy: -68.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -961.502137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.502137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.502137 (E_RNA) where: Base-Base interactions energy: -630.492 where: short stacking energy: -255.290 Base-Backbone interact. energy: -0.949 local terms energy: -330.061441 where: bonds (distance) C4'-P energy: -78.477 bonds (distance) P-C4' energy: -73.584 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -59.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -788.092377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.092377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.092377 (E_RNA) where: Base-Base interactions energy: -479.867 where: short stacking energy: -232.063 Base-Backbone interact. energy: -2.272 local terms energy: -305.954181 where: bonds (distance) C4'-P energy: -70.013 bonds (distance) P-C4' energy: -78.164 flat angles C4'-P-C4' energy: -74.267 flat angles P-C4'-P energy: -50.901 tors. eta vs tors. theta energy: -32.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -658.511978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.511978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.511978 (E_RNA) where: Base-Base interactions energy: -371.663 where: short stacking energy: -185.933 Base-Backbone interact. energy: -1.600 local terms energy: -285.249308 where: bonds (distance) C4'-P energy: -69.138 bonds (distance) P-C4' energy: -79.848 flat angles C4'-P-C4' energy: -71.414 flat angles P-C4'-P energy: -42.999 tors. eta vs tors. theta energy: -21.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -689.844500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.844500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.844500 (E_RNA) where: Base-Base interactions energy: -409.185 where: short stacking energy: -196.680 Base-Backbone interact. energy: -0.012 local terms energy: -280.648189 where: bonds (distance) C4'-P energy: -70.469 bonds (distance) P-C4' energy: -70.612 flat angles C4'-P-C4' energy: -71.219 flat angles P-C4'-P energy: -37.006 tors. eta vs tors. theta energy: -31.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -529.404088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.404088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.404088 (E_RNA) where: Base-Base interactions energy: -283.267 where: short stacking energy: -147.718 Base-Backbone interact. energy: 2.336 local terms energy: -248.473293 where: bonds (distance) C4'-P energy: -59.823 bonds (distance) P-C4' energy: -68.892 flat angles C4'-P-C4' energy: -71.784 flat angles P-C4'-P energy: -41.784 tors. eta vs tors. theta energy: -6.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -365.937721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.937721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.937721 (E_RNA) where: Base-Base interactions energy: -143.647 where: short stacking energy: -118.513 Base-Backbone interact. energy: -0.328 local terms energy: -221.963234 where: bonds (distance) C4'-P energy: -67.070 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -48.545 flat angles P-C4'-P energy: -44.999 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1260.670406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.670406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.670406 (E_RNA) where: Base-Base interactions energy: -835.742 where: short stacking energy: -382.295 Base-Backbone interact. energy: -0.153 local terms energy: -424.775495 where: bonds (distance) C4'-P energy: -75.270 bonds (distance) P-C4' energy: -95.468 flat angles C4'-P-C4' energy: -92.742 flat angles P-C4'-P energy: -67.719 tors. eta vs tors. theta energy: -93.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1165.471075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.471075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.471075 (E_RNA) where: Base-Base interactions energy: -755.493 where: short stacking energy: -378.638 Base-Backbone interact. energy: -1.246 local terms energy: -408.732965 where: bonds (distance) C4'-P energy: -78.220 bonds (distance) P-C4' energy: -84.850 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: -91.609 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: 3, replica: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1155.406846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.406846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.406846 (E_RNA) where: Base-Base interactions energy: -770.873 where: short stacking energy: -354.439 Base-Backbone interact. energy: -1.761 local terms energy: -382.773579 where: bonds (distance) C4'-P energy: -77.761 bonds (distance) P-C4' energy: -86.316 flat angles C4'-P-C4' energy: -81.810 flat angles P-C4'-P energy: -48.105 tors. eta vs tors. theta energy: -88.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1095.005117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.005117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.005117 (E_RNA) where: Base-Base interactions energy: -703.247 where: short stacking energy: -335.950 Base-Backbone interact. energy: -1.417 local terms energy: -390.340408 where: bonds (distance) C4'-P energy: -88.060 bonds (distance) P-C4' energy: -80.823 flat angles C4'-P-C4' energy: -70.552 flat angles P-C4'-P energy: -61.192 tors. eta vs tors. theta energy: -89.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -998.362468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.362468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.362468 (E_RNA) where: Base-Base interactions energy: -640.362 where: short stacking energy: -311.106 Base-Backbone interact. energy: -1.088 local terms energy: -356.912951 where: bonds (distance) C4'-P energy: -76.124 bonds (distance) P-C4' energy: -77.198 flat angles C4'-P-C4' energy: -90.796 flat angles P-C4'-P energy: -47.952 tors. eta vs tors. theta energy: -64.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -806.591726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.591726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.591726 (E_RNA) where: Base-Base interactions energy: -504.996 where: short stacking energy: -260.670 Base-Backbone interact. energy: -1.331 local terms energy: -300.263931 where: bonds (distance) C4'-P energy: -65.330 bonds (distance) P-C4' energy: -69.287 flat angles C4'-P-C4' energy: -81.485 flat angles P-C4'-P energy: -43.882 tors. eta vs tors. theta energy: -40.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -694.955481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.955481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.955481 (E_RNA) where: Base-Base interactions energy: -393.402 where: short stacking energy: -197.091 Base-Backbone interact. energy: -0.486 local terms energy: -301.067675 where: bonds (distance) C4'-P energy: -80.960 bonds (distance) P-C4' energy: -81.869 flat angles C4'-P-C4' energy: -71.479 flat angles P-C4'-P energy: -41.420 tors. eta vs tors. theta energy: -25.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -690.695341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.695341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.695341 (E_RNA) where: Base-Base interactions energy: -395.950 where: short stacking energy: -189.664 Base-Backbone interact. energy: -1.890 local terms energy: -292.855530 where: bonds (distance) C4'-P energy: -73.612 bonds (distance) P-C4' energy: -72.096 flat angles C4'-P-C4' energy: -74.438 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -21.325 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: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -492.978360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.978360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.978360 (E_RNA) where: Base-Base interactions energy: -253.076 where: short stacking energy: -144.854 Base-Backbone interact. energy: 1.452 local terms energy: -241.353997 where: bonds (distance) C4'-P energy: -54.377 bonds (distance) P-C4' energy: -80.979 flat angles C4'-P-C4' energy: -63.375 flat angles P-C4'-P energy: -40.962 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -359.236342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.236342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.236342 (E_RNA) where: Base-Base interactions energy: -168.798 where: short stacking energy: -118.503 Base-Backbone interact. energy: -2.662 local terms energy: -187.775916 where: bonds (distance) C4'-P energy: -50.865 bonds (distance) P-C4' energy: -72.193 flat angles C4'-P-C4' energy: -52.799 flat angles P-C4'-P energy: -19.942 tors. eta vs tors. theta energy: 8.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1271.212803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.212803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.212803 (E_RNA) where: Base-Base interactions energy: -859.751 where: short stacking energy: -383.350 Base-Backbone interact. energy: -1.620 local terms energy: -409.841931 where: bonds (distance) C4'-P energy: -75.782 bonds (distance) P-C4' energy: -86.155 flat angles C4'-P-C4' energy: -88.006 flat angles P-C4'-P energy: -65.880 tors. eta vs tors. theta energy: -94.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1226.867509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.867509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.867509 (E_RNA) where: Base-Base interactions energy: -812.439 where: short stacking energy: -378.161 Base-Backbone interact. energy: -0.089 local terms energy: -414.339998 where: bonds (distance) C4'-P energy: -86.339 bonds (distance) P-C4' energy: -85.207 flat angles C4'-P-C4' energy: -92.616 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -92.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1190.735525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.735525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.735525 (E_RNA) where: Base-Base interactions energy: -796.076 where: short stacking energy: -363.774 Base-Backbone interact. energy: -0.558 local terms energy: -394.100838 where: bonds (distance) C4'-P energy: -70.581 bonds (distance) P-C4' energy: -82.301 flat angles C4'-P-C4' energy: -86.397 flat angles P-C4'-P energy: -56.582 tors. eta vs tors. theta energy: -98.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1102.431585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.431585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.431585 (E_RNA) where: Base-Base interactions energy: -722.473 where: short stacking energy: -328.081 Base-Backbone interact. energy: -1.949 local terms energy: -378.008883 where: bonds (distance) C4'-P energy: -83.941 bonds (distance) P-C4' energy: -72.865 flat angles C4'-P-C4' energy: -85.818 flat angles P-C4'-P energy: -49.120 tors. eta vs tors. theta energy: -86.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1026.241565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.241565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.241565 (E_RNA) where: Base-Base interactions energy: -683.956 where: short stacking energy: -300.673 Base-Backbone interact. energy: 0.674 local terms energy: -342.960333 where: bonds (distance) C4'-P energy: -78.868 bonds (distance) P-C4' energy: -80.098 flat angles C4'-P-C4' energy: -83.983 flat angles P-C4'-P energy: -31.014 tors. eta vs tors. theta energy: -68.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -829.512168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.512168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.512168 (E_RNA) where: Base-Base interactions energy: -496.877 where: short stacking energy: -264.926 Base-Backbone interact. energy: -0.658 local terms energy: -331.977680 where: bonds (distance) C4'-P energy: -74.168 bonds (distance) P-C4' energy: -79.347 flat angles C4'-P-C4' energy: -61.574 flat angles P-C4'-P energy: -53.208 tors. eta vs tors. theta energy: -63.681 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: 29 Temperature: 1.200000 Total energy: -688.931576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.931576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.931576 (E_RNA) where: Base-Base interactions energy: -402.682 where: short stacking energy: -210.333 Base-Backbone interact. energy: -2.294 local terms energy: -283.955575 where: bonds (distance) C4'-P energy: -76.817 bonds (distance) P-C4' energy: -58.890 flat angles C4'-P-C4' energy: -68.749 flat angles P-C4'-P energy: -51.193 tors. eta vs tors. theta energy: -28.306 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: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -682.766158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.766158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.766158 (E_RNA) where: Base-Base interactions energy: -425.922 where: short stacking energy: -216.762 Base-Backbone interact. energy: 0.971 local terms energy: -257.815707 where: bonds (distance) C4'-P energy: -63.525 bonds (distance) P-C4' energy: -66.132 flat angles C4'-P-C4' energy: -71.190 flat angles P-C4'-P energy: -32.044 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: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -546.836471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.836471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.836471 (E_RNA) where: Base-Base interactions energy: -290.321 where: short stacking energy: -145.063 Base-Backbone interact. energy: 0.887 local terms energy: -257.402606 where: bonds (distance) C4'-P energy: -78.901 bonds (distance) P-C4' energy: -63.652 flat angles C4'-P-C4' energy: -64.632 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: -9.488 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: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -380.134558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.134558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.134558 (E_RNA) where: Base-Base interactions energy: -174.939 where: short stacking energy: -111.688 Base-Backbone interact. energy: 2.800 local terms energy: -207.994769 where: bonds (distance) C4'-P energy: -59.774 bonds (distance) P-C4' energy: -58.737 flat angles C4'-P-C4' energy: -70.380 flat angles P-C4'-P energy: -27.238 tors. eta vs tors. theta energy: 8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1274.311682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.311682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.311682 (E_RNA) where: Base-Base interactions energy: -853.101 where: short stacking energy: -369.152 Base-Backbone interact. energy: -1.701 local terms energy: -419.509788 where: bonds (distance) C4'-P energy: -95.248 bonds (distance) P-C4' energy: -87.252 flat angles C4'-P-C4' energy: -78.863 flat angles P-C4'-P energy: -67.442 tors. eta vs tors. theta energy: -90.705 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: 30 Temperature: 0.950000 Total energy: -1206.472923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.472923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.472923 (E_RNA) where: Base-Base interactions energy: -786.218 where: short stacking energy: -359.810 Base-Backbone interact. energy: -2.162 local terms energy: -418.093404 where: bonds (distance) C4'-P energy: -66.882 bonds (distance) P-C4' energy: -92.344 flat angles C4'-P-C4' energy: -96.117 flat angles P-C4'-P energy: -64.507 tors. eta vs tors. theta energy: -98.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1188.434578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.434578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.434578 (E_RNA) where: Base-Base interactions energy: -782.630 where: short stacking energy: -370.840 Base-Backbone interact. energy: -1.459 local terms energy: -404.345768 where: bonds (distance) C4'-P energy: -85.326 bonds (distance) P-C4' energy: -78.603 flat angles C4'-P-C4' energy: -91.336 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -95.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1057.151470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.151470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.151470 (E_RNA) where: Base-Base interactions energy: -695.514 where: short stacking energy: -341.979 Base-Backbone interact. energy: -2.032 local terms energy: -359.605616 where: bonds (distance) C4'-P energy: -73.143 bonds (distance) P-C4' energy: -71.544 flat angles C4'-P-C4' energy: -79.026 flat angles P-C4'-P energy: -61.788 tors. eta vs tors. theta energy: -74.105 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: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1005.264394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.264394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.264394 (E_RNA) where: Base-Base interactions energy: -656.854 where: short stacking energy: -325.006 Base-Backbone interact. energy: -1.695 local terms energy: -346.715581 where: bonds (distance) C4'-P energy: -60.031 bonds (distance) P-C4' energy: -71.813 flat angles C4'-P-C4' energy: -78.022 flat angles P-C4'-P energy: -63.983 tors. eta vs tors. theta energy: -72.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -825.611683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.611683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.611683 (E_RNA) where: Base-Base interactions energy: -495.037 where: short stacking energy: -243.012 Base-Backbone interact. energy: -0.043 local terms energy: -330.531541 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -75.149 flat angles C4'-P-C4' energy: -76.474 flat angles P-C4'-P energy: -53.284 tors. eta vs tors. theta energy: -47.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -725.682864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.682864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.682864 (E_RNA) where: Base-Base interactions energy: -446.812 where: short stacking energy: -232.802 Base-Backbone interact. energy: 2.975 local terms energy: -281.845625 where: bonds (distance) C4'-P energy: -72.632 bonds (distance) P-C4' energy: -77.371 flat angles C4'-P-C4' energy: -75.975 flat angles P-C4'-P energy: -39.973 tors. eta vs tors. theta energy: -15.894 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: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -722.785097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.785097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.785097 (E_RNA) where: Base-Base interactions energy: -402.756 where: short stacking energy: -217.254 Base-Backbone interact. energy: -0.073 local terms energy: -319.956351 where: bonds (distance) C4'-P energy: -71.639 bonds (distance) P-C4' energy: -89.312 flat angles C4'-P-C4' energy: -70.033 flat angles P-C4'-P energy: -38.686 tors. eta vs tors. theta energy: -50.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -443.689864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.689864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.689864 (E_RNA) where: Base-Base interactions energy: -193.599 where: short stacking energy: -106.229 Base-Backbone interact. energy: -4.361 local terms energy: -245.729400 where: bonds (distance) C4'-P energy: -64.909 bonds (distance) P-C4' energy: -89.179 flat angles C4'-P-C4' energy: -61.736 flat angles P-C4'-P energy: -40.625 tors. eta vs tors. theta energy: 10.719 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: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -508.070935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.070935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.070935 (E_RNA) where: Base-Base interactions energy: -274.496 where: short stacking energy: -154.345 Base-Backbone interact. energy: -0.593 local terms energy: -232.981816 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -67.009 flat angles P-C4'-P energy: -26.904 tors. eta vs tors. theta energy: -8.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1269.250301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.250301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.250301 (E_RNA) where: Base-Base interactions energy: -856.142 where: short stacking energy: -373.011 Base-Backbone interact. energy: -0.241 local terms energy: -412.867591 where: bonds (distance) C4'-P energy: -79.224 bonds (distance) P-C4' energy: -92.253 flat angles C4'-P-C4' energy: -87.046 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -94.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1211.683910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.683910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.683910 (E_RNA) where: Base-Base interactions energy: -796.765 where: short stacking energy: -363.392 Base-Backbone interact. energy: -2.159 local terms energy: -412.759899 where: bonds (distance) C4'-P energy: -77.908 bonds (distance) P-C4' energy: -83.889 flat angles C4'-P-C4' energy: -93.673 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -87.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1142.094176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.094176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.094176 (E_RNA) where: Base-Base interactions energy: -732.330 where: short stacking energy: -370.010 Base-Backbone interact. energy: -1.048 local terms energy: -408.716746 where: bonds (distance) C4'-P energy: -82.800 bonds (distance) P-C4' energy: -81.176 flat angles C4'-P-C4' energy: -93.027 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -92.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1085.274041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.274041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.274041 (E_RNA) where: Base-Base interactions energy: -734.564 where: short stacking energy: -327.753 Base-Backbone interact. energy: 0.103 local terms energy: -350.812949 where: bonds (distance) C4'-P energy: -63.421 bonds (distance) P-C4' energy: -73.840 flat angles C4'-P-C4' energy: -83.856 flat angles P-C4'-P energy: -47.740 tors. eta vs tors. theta energy: -81.957 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: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -998.959519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.959519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.959519 (E_RNA) where: Base-Base interactions energy: -640.500 where: short stacking energy: -297.292 Base-Backbone interact. energy: -1.233 local terms energy: -357.225636 where: bonds (distance) C4'-P energy: -71.212 bonds (distance) P-C4' energy: -77.778 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -44.438 tors. eta vs tors. theta energy: -72.292 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: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -833.925503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.925503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.925503 (E_RNA) where: Base-Base interactions energy: -517.271 where: short stacking energy: -254.590 Base-Backbone interact. energy: 0.994 local terms energy: -317.648879 where: bonds (distance) C4'-P energy: -79.893 bonds (distance) P-C4' energy: -66.737 flat angles C4'-P-C4' energy: -76.754 flat angles P-C4'-P energy: -53.398 tors. eta vs tors. theta energy: -40.868 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: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -733.871394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.871394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.871394 (E_RNA) where: Base-Base interactions energy: -406.408 where: short stacking energy: -201.009 Base-Backbone interact. energy: 0.455 local terms energy: -327.918581 where: bonds (distance) C4'-P energy: -66.570 bonds (distance) P-C4' energy: -83.290 flat angles C4'-P-C4' energy: -86.872 flat angles P-C4'-P energy: -43.729 tors. eta vs tors. theta energy: -47.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -652.388742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.388742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.388742 (E_RNA) where: Base-Base interactions energy: -365.458 where: short stacking energy: -190.936 Base-Backbone interact. energy: -2.379 local terms energy: -284.551361 where: bonds (distance) C4'-P energy: -67.818 bonds (distance) P-C4' energy: -68.744 flat angles C4'-P-C4' energy: -62.189 flat angles P-C4'-P energy: -51.108 tors. eta vs tors. theta energy: -34.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -527.537400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.537400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.537400 (E_RNA) where: Base-Base interactions energy: -289.190 where: short stacking energy: -149.269 Base-Backbone interact. energy: -0.356 local terms energy: -237.992250 where: bonds (distance) C4'-P energy: -57.383 bonds (distance) P-C4' energy: -67.401 flat angles C4'-P-C4' energy: -63.114 flat angles P-C4'-P energy: -41.014 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: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -507.464990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.464990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.464990 (E_RNA) where: Base-Base interactions energy: -264.290 where: short stacking energy: -154.301 Base-Backbone interact. energy: -1.799 local terms energy: -241.375115 where: bonds (distance) C4'-P energy: -59.530 bonds (distance) P-C4' energy: -75.759 flat angles C4'-P-C4' energy: -76.175 flat angles P-C4'-P energy: -27.231 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1302.912554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.912554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.912554 (E_RNA) where: Base-Base interactions energy: -886.885 where: short stacking energy: -391.025 Base-Backbone interact. energy: -2.455 local terms energy: -413.572563 where: bonds (distance) C4'-P energy: -74.474 bonds (distance) P-C4' energy: -89.110 flat angles C4'-P-C4' energy: -87.512 flat angles P-C4'-P energy: -59.935 tors. eta vs tors. theta energy: -102.541 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: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1209.006375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.006375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.006375 (E_RNA) where: Base-Base interactions energy: -783.824 where: short stacking energy: -367.362 Base-Backbone interact. energy: -1.508 local terms energy: -423.674218 where: bonds (distance) C4'-P energy: -91.721 bonds (distance) P-C4' energy: -79.751 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -54.710 tors. eta vs tors. theta energy: -100.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1156.989802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.989802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.989802 (E_RNA) where: Base-Base interactions energy: -764.863 where: short stacking energy: -372.823 Base-Backbone interact. energy: -0.201 local terms energy: -391.925711 where: bonds (distance) C4'-P energy: -79.083 bonds (distance) P-C4' energy: -89.359 flat angles C4'-P-C4' energy: -81.072 flat angles P-C4'-P energy: -51.762 tors. eta vs tors. theta energy: -90.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1080.258276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.258276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.258276 (E_RNA) where: Base-Base interactions energy: -688.422 where: short stacking energy: -313.466 Base-Backbone interact. energy: 0.898 local terms energy: -392.734292 where: bonds (distance) C4'-P energy: -80.059 bonds (distance) P-C4' energy: -91.408 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -57.775 tors. eta vs tors. theta energy: -73.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -967.116106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.116106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.116106 (E_RNA) where: Base-Base interactions energy: -607.867 where: short stacking energy: -278.830 Base-Backbone interact. energy: 1.249 local terms energy: -360.497869 where: bonds (distance) C4'-P energy: -75.553 bonds (distance) P-C4' energy: -89.806 flat angles C4'-P-C4' energy: -81.122 flat angles P-C4'-P energy: -48.262 tors. eta vs tors. theta energy: -65.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -863.515120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.515120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.515120 (E_RNA) where: Base-Base interactions energy: -544.569 where: short stacking energy: -257.503 Base-Backbone interact. energy: -1.351 local terms energy: -317.595363 where: bonds (distance) C4'-P energy: -65.920 bonds (distance) P-C4' energy: -83.133 flat angles C4'-P-C4' energy: -66.499 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -51.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -773.666441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.666441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.666441 (E_RNA) where: Base-Base interactions energy: -456.057 where: short stacking energy: -235.795 Base-Backbone interact. energy: 0.329 local terms energy: -317.938036 where: bonds (distance) C4'-P energy: -73.543 bonds (distance) P-C4' energy: -83.509 flat angles C4'-P-C4' energy: -67.882 flat angles P-C4'-P energy: -43.642 tors. eta vs tors. theta energy: -49.362 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: 9 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -747.251173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.251173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.251173 (E_RNA) where: Base-Base interactions energy: -474.360 where: short stacking energy: -225.811 Base-Backbone interact. energy: -2.126 local terms energy: -270.765286 where: bonds (distance) C4'-P energy: -54.290 bonds (distance) P-C4' energy: -74.838 flat angles C4'-P-C4' energy: -69.688 flat angles P-C4'-P energy: -38.602 tors. eta vs tors. theta energy: -33.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -533.843714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.843714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.843714 (E_RNA) where: Base-Base interactions energy: -293.196 where: short stacking energy: -171.830 Base-Backbone interact. energy: -1.611 local terms energy: -239.036449 where: bonds (distance) C4'-P energy: -61.040 bonds (distance) P-C4' energy: -79.497 flat angles C4'-P-C4' energy: -55.036 flat angles P-C4'-P energy: -32.120 tors. eta vs tors. theta energy: -11.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -484.760781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.760781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.760781 (E_RNA) where: Base-Base interactions energy: -236.044 where: short stacking energy: -128.804 Base-Backbone interact. energy: 1.459 local terms energy: -250.175508 where: bonds (distance) C4'-P energy: -69.230 bonds (distance) P-C4' energy: -80.248 flat angles C4'-P-C4' energy: -55.609 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -1.913 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: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1321.386861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.386861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.386861 (E_RNA) where: Base-Base interactions energy: -881.089 where: short stacking energy: -385.497 Base-Backbone interact. energy: -1.298 local terms energy: -439.000047 where: bonds (distance) C4'-P energy: -87.596 bonds (distance) P-C4' energy: -87.936 flat angles C4'-P-C4' energy: -90.961 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -105.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1236.149902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.149902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.149902 (E_RNA) where: Base-Base interactions energy: -826.949 where: short stacking energy: -350.627 Base-Backbone interact. energy: 0.399 local terms energy: -409.600344 where: bonds (distance) C4'-P energy: -83.524 bonds (distance) P-C4' energy: -86.036 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -60.159 tors. eta vs tors. theta energy: -91.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1134.521509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.521509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.521509 (E_RNA) where: Base-Base interactions energy: -736.825 where: short stacking energy: -342.034 Base-Backbone interact. energy: -1.450 local terms energy: -396.246111 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -87.455 flat angles C4'-P-C4' energy: -89.926 flat angles P-C4'-P energy: -55.307 tors. eta vs tors. theta energy: -78.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1084.620187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.620187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.620187 (E_RNA) where: Base-Base interactions energy: -715.542 where: short stacking energy: -348.007 Base-Backbone interact. energy: -3.214 local terms energy: -365.864265 where: bonds (distance) C4'-P energy: -73.541 bonds (distance) P-C4' energy: -75.064 flat angles C4'-P-C4' energy: -88.504 flat angles P-C4'-P energy: -51.183 tors. eta vs tors. theta energy: -77.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1009.585914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.585914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.585914 (E_RNA) where: Base-Base interactions energy: -662.987 where: short stacking energy: -297.373 Base-Backbone interact. energy: -0.408 local terms energy: -346.191063 where: bonds (distance) C4'-P energy: -73.935 bonds (distance) P-C4' energy: -69.679 flat angles C4'-P-C4' energy: -81.019 flat angles P-C4'-P energy: -51.784 tors. eta vs tors. theta energy: -69.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -802.101037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.101037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.101037 (E_RNA) where: Base-Base interactions energy: -496.911 where: short stacking energy: -223.635 Base-Backbone interact. energy: -2.746 local terms energy: -302.444448 where: bonds (distance) C4'-P energy: -81.648 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -70.375 flat angles P-C4'-P energy: -37.648 tors. eta vs tors. theta energy: -39.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -757.649558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.649558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.649558 (E_RNA) where: Base-Base interactions energy: -452.937 where: short stacking energy: -229.775 Base-Backbone interact. energy: 1.629 local terms energy: -306.341312 where: bonds (distance) C4'-P energy: -78.547 bonds (distance) P-C4' energy: -82.052 flat angles C4'-P-C4' energy: -57.518 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -35.182 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: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -850.769266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.769266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.769266 (E_RNA) where: Base-Base interactions energy: -557.819 where: short stacking energy: -250.128 Base-Backbone interact. energy: 3.093 local terms energy: -296.043261 where: bonds (distance) C4'-P energy: -67.539 bonds (distance) P-C4' energy: -76.495 flat angles C4'-P-C4' energy: -64.408 flat angles P-C4'-P energy: -45.697 tors. eta vs tors. theta energy: -41.904 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: 9, replica: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -551.600227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.600227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.600227 (E_RNA) where: Base-Base interactions energy: -290.675 where: short stacking energy: -163.328 Base-Backbone interact. energy: -1.301 local terms energy: -259.624048 where: bonds (distance) C4'-P energy: -69.525 bonds (distance) P-C4' energy: -69.142 flat angles C4'-P-C4' energy: -66.254 flat angles P-C4'-P energy: -38.381 tors. eta vs tors. theta energy: -16.322 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: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -513.218302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.218302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.218302 (E_RNA) where: Base-Base interactions energy: -266.531 where: short stacking energy: -148.025 Base-Backbone interact. energy: 5.284 local terms energy: -251.972228 where: bonds (distance) C4'-P energy: -71.218 bonds (distance) P-C4' energy: -71.495 flat angles C4'-P-C4' energy: -54.072 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: -19.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1325.851295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.851295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.851295 (E_RNA) where: Base-Base interactions energy: -890.576 where: short stacking energy: -399.635 Base-Backbone interact. energy: -2.639 local terms energy: -432.636349 where: bonds (distance) C4'-P energy: -84.092 bonds (distance) P-C4' energy: -79.673 flat angles C4'-P-C4' energy: -89.137 flat angles P-C4'-P energy: -66.843 tors. eta vs tors. theta energy: -112.891 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: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1247.458712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.458712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.458712 (E_RNA) where: Base-Base interactions energy: -845.787 where: short stacking energy: -359.401 Base-Backbone interact. energy: -1.963 local terms energy: -399.709244 where: bonds (distance) C4'-P energy: -81.300 bonds (distance) P-C4' energy: -75.594 flat angles C4'-P-C4' energy: -86.753 flat angles P-C4'-P energy: -64.764 tors. eta vs tors. theta energy: -91.299 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: 3, replica: 10 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1131.959317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.959317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.959317 (E_RNA) where: Base-Base interactions energy: -763.391 where: short stacking energy: -340.864 Base-Backbone interact. energy: 0.461 local terms energy: -369.029710 where: bonds (distance) C4'-P energy: -78.089 bonds (distance) P-C4' energy: -78.882 flat angles C4'-P-C4' energy: -86.123 flat angles P-C4'-P energy: -42.801 tors. eta vs tors. theta energy: -83.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1055.327896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.327896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.327896 (E_RNA) where: Base-Base interactions energy: -678.547 where: short stacking energy: -319.455 Base-Backbone interact. energy: -2.478 local terms energy: -374.302536 where: bonds (distance) C4'-P energy: -84.451 bonds (distance) P-C4' energy: -81.091 flat angles C4'-P-C4' energy: -69.620 flat angles P-C4'-P energy: -66.136 tors. eta vs tors. theta energy: -73.004 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: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1060.568069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.568069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.568069 (E_RNA) where: Base-Base interactions energy: -692.161 where: short stacking energy: -335.404 Base-Backbone interact. energy: -0.654 local terms energy: -367.753026 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -72.501 flat angles C4'-P-C4' energy: -92.923 flat angles P-C4'-P energy: -43.949 tors. eta vs tors. theta energy: -85.364 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: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -882.286746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.286746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.286746 (E_RNA) where: Base-Base interactions energy: -592.937 where: short stacking energy: -251.178 Base-Backbone interact. energy: 3.193 local terms energy: -292.542365 where: bonds (distance) C4'-P energy: -44.813 bonds (distance) P-C4' energy: -78.491 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -50.715 tors. eta vs tors. theta energy: -51.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -934.153181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.153181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.153181 (E_RNA) where: Base-Base interactions energy: -613.220 where: short stacking energy: -270.152 Base-Backbone interact. energy: 1.530 local terms energy: -322.463437 where: bonds (distance) C4'-P energy: -71.046 bonds (distance) P-C4' energy: -83.566 flat angles C4'-P-C4' energy: -89.356 flat angles P-C4'-P energy: -30.732 tors. eta vs tors. theta energy: -47.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -757.262286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.262286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.262286 (E_RNA) where: Base-Base interactions energy: -474.320 where: short stacking energy: -217.996 Base-Backbone interact. energy: 0.757 local terms energy: -283.699149 where: bonds (distance) C4'-P energy: -74.794 bonds (distance) P-C4' energy: -73.117 flat angles C4'-P-C4' energy: -76.094 flat angles P-C4'-P energy: -36.370 tors. eta vs tors. theta energy: -23.324 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: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -607.206226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.206226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.206226 (E_RNA) where: Base-Base interactions energy: -365.618 where: short stacking energy: -175.151 Base-Backbone interact. energy: -1.769 local terms energy: -239.819254 where: bonds (distance) C4'-P energy: -68.642 bonds (distance) P-C4' energy: -60.412 flat angles C4'-P-C4' energy: -50.902 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -17.320 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: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -492.027433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.027433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.027433 (E_RNA) where: Base-Base interactions energy: -270.721 where: short stacking energy: -124.598 Base-Backbone interact. energy: 1.738 local terms energy: -223.044197 where: bonds (distance) C4'-P energy: -52.637 bonds (distance) P-C4' energy: -77.940 flat angles C4'-P-C4' energy: -54.282 flat angles P-C4'-P energy: -42.374 tors. eta vs tors. theta energy: 4.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1355.799089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.799089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.799089 (E_RNA) where: Base-Base interactions energy: -924.812 where: short stacking energy: -403.954 Base-Backbone interact. energy: -2.229 local terms energy: -428.757854 where: bonds (distance) C4'-P energy: -93.436 bonds (distance) P-C4' energy: -78.741 flat angles C4'-P-C4' energy: -96.463 flat angles P-C4'-P energy: -53.336 tors. eta vs tors. theta energy: -106.782 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: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1224.433369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.433369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.433369 (E_RNA) where: Base-Base interactions energy: -843.877 where: short stacking energy: -364.120 Base-Backbone interact. energy: 2.477 local terms energy: -383.032941 where: bonds (distance) C4'-P energy: -82.474 bonds (distance) P-C4' energy: -85.921 flat angles C4'-P-C4' energy: -68.377 flat angles P-C4'-P energy: -46.488 tors. eta vs tors. theta energy: -99.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1149.385178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.385178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.385178 (E_RNA) where: Base-Base interactions energy: -752.886 where: short stacking energy: -374.411 Base-Backbone interact. energy: -0.532 local terms energy: -395.967770 where: bonds (distance) C4'-P energy: -78.726 bonds (distance) P-C4' energy: -86.779 flat angles C4'-P-C4' energy: -84.599 flat angles P-C4'-P energy: -54.772 tors. eta vs tors. theta energy: -91.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1058.741641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.741641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.741641 (E_RNA) where: Base-Base interactions energy: -705.789 where: short stacking energy: -318.855 Base-Backbone interact. energy: 1.390 local terms energy: -354.342242 where: bonds (distance) C4'-P energy: -88.453 bonds (distance) P-C4' energy: -80.357 flat angles C4'-P-C4' energy: -70.671 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: -65.610 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: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1017.046021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.046021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.046021 (E_RNA) where: Base-Base interactions energy: -647.203 where: short stacking energy: -288.162 Base-Backbone interact. energy: -2.213 local terms energy: -367.630075 where: bonds (distance) C4'-P energy: -81.902 bonds (distance) P-C4' energy: -75.399 flat angles C4'-P-C4' energy: -84.528 flat angles P-C4'-P energy: -49.143 tors. eta vs tors. theta energy: -76.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -964.554096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.554096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.554096 (E_RNA) where: Base-Base interactions energy: -599.996 where: short stacking energy: -286.010 Base-Backbone interact. energy: -1.366 local terms energy: -363.192366 where: bonds (distance) C4'-P energy: -75.435 bonds (distance) P-C4' energy: -76.467 flat angles C4'-P-C4' energy: -85.933 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -73.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -849.831742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.831742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.831742 (E_RNA) where: Base-Base interactions energy: -538.531 where: short stacking energy: -249.406 Base-Backbone interact. energy: -2.516 local terms energy: -308.785321 where: bonds (distance) C4'-P energy: -65.952 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -79.594 flat angles P-C4'-P energy: -55.089 tors. eta vs tors. theta energy: -41.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -788.222257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.222257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.222257 (E_RNA) where: Base-Base interactions energy: -495.359 where: short stacking energy: -224.467 Base-Backbone interact. energy: -2.568 local terms energy: -290.295789 where: bonds (distance) C4'-P energy: -67.574 bonds (distance) P-C4' energy: -67.028 flat angles C4'-P-C4' energy: -69.407 flat angles P-C4'-P energy: -47.430 tors. eta vs tors. theta energy: -38.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -612.329375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.329375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.329375 (E_RNA) where: Base-Base interactions energy: -340.871 where: short stacking energy: -175.628 Base-Backbone interact. energy: 0.140 local terms energy: -271.598100 where: bonds (distance) C4'-P energy: -77.006 bonds (distance) P-C4' energy: -82.981 flat angles C4'-P-C4' energy: -70.689 flat angles P-C4'-P energy: -32.648 tors. eta vs tors. theta energy: -8.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -404.297920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.297920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.297920 (E_RNA) where: Base-Base interactions energy: -169.078 where: short stacking energy: -107.144 Base-Backbone interact. energy: 0.776 local terms energy: -235.996361 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -82.123 flat angles C4'-P-C4' energy: -54.722 flat angles P-C4'-P energy: -50.612 tors. eta vs tors. theta energy: 11.478 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: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1349.890555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.890555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.890555 (E_RNA) where: Base-Base interactions energy: -915.580 where: short stacking energy: -402.539 Base-Backbone interact. energy: 0.381 local terms energy: -434.691953 where: bonds (distance) C4'-P energy: -82.449 bonds (distance) P-C4' energy: -75.830 flat angles C4'-P-C4' energy: -98.715 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -106.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1257.912292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.912292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.912292 (E_RNA) where: Base-Base interactions energy: -852.933 where: short stacking energy: -377.002 Base-Backbone interact. energy: -2.210 local terms energy: -402.769212 where: bonds (distance) C4'-P energy: -79.604 bonds (distance) P-C4' energy: -85.692 flat angles C4'-P-C4' energy: -86.169 flat angles P-C4'-P energy: -52.289 tors. eta vs tors. theta energy: -99.014 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: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1150.595651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.595651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.595651 (E_RNA) where: Base-Base interactions energy: -760.020 where: short stacking energy: -335.387 Base-Backbone interact. energy: -0.670 local terms energy: -389.905835 where: bonds (distance) C4'-P energy: -73.338 bonds (distance) P-C4' energy: -88.100 flat angles C4'-P-C4' energy: -81.549 flat angles P-C4'-P energy: -50.717 tors. eta vs tors. theta energy: -96.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1085.468757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.468757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.468757 (E_RNA) where: Base-Base interactions energy: -727.489 where: short stacking energy: -331.506 Base-Backbone interact. energy: -2.765 local terms energy: -355.214692 where: bonds (distance) C4'-P energy: -73.472 bonds (distance) P-C4' energy: -76.121 flat angles C4'-P-C4' energy: -85.922 flat angles P-C4'-P energy: -47.840 tors. eta vs tors. theta energy: -71.860 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: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1001.740681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.740681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.740681 (E_RNA) where: Base-Base interactions energy: -652.665 where: short stacking energy: -293.166 Base-Backbone interact. energy: -2.019 local terms energy: -347.057031 where: bonds (distance) C4'-P energy: -69.189 bonds (distance) P-C4' energy: -89.496 flat angles C4'-P-C4' energy: -74.817 flat angles P-C4'-P energy: -53.154 tors. eta vs tors. theta energy: -60.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -970.333920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.333920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.333920 (E_RNA) where: Base-Base interactions energy: -625.754 where: short stacking energy: -288.778 Base-Backbone interact. energy: -1.088 local terms energy: -343.492033 where: bonds (distance) C4'-P energy: -70.822 bonds (distance) P-C4' energy: -73.388 flat angles C4'-P-C4' energy: -91.749 flat angles P-C4'-P energy: -42.037 tors. eta vs tors. theta energy: -65.496 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: 36 Temperature: 1.200000 Total energy: -870.953107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.953107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.953107 (E_RNA) where: Base-Base interactions energy: -563.629 where: short stacking energy: -217.787 Base-Backbone interact. energy: -0.280 local terms energy: -307.043576 where: bonds (distance) C4'-P energy: -62.267 bonds (distance) P-C4' energy: -81.885 flat angles C4'-P-C4' energy: -77.106 flat angles P-C4'-P energy: -51.390 tors. eta vs tors. theta energy: -34.396 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: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -859.008443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.008443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.008443 (E_RNA) where: Base-Base interactions energy: -563.506 where: short stacking energy: -225.282 Base-Backbone interact. energy: -1.648 local terms energy: -293.854045 where: bonds (distance) C4'-P energy: -72.380 bonds (distance) P-C4' energy: -75.495 flat angles C4'-P-C4' energy: -71.506 flat angles P-C4'-P energy: -29.623 tors. eta vs tors. theta energy: -44.851 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: 9, replica: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -607.063874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.063874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.063874 (E_RNA) where: Base-Base interactions energy: -328.429 where: short stacking energy: -150.013 Base-Backbone interact. energy: 2.632 local terms energy: -281.267669 where: bonds (distance) C4'-P energy: -73.937 bonds (distance) P-C4' energy: -85.183 flat angles C4'-P-C4' energy: -63.129 flat angles P-C4'-P energy: -44.433 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -412.028091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.028091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.028091 (E_RNA) where: Base-Base interactions energy: -198.533 where: short stacking energy: -107.780 Base-Backbone interact. energy: -1.352 local terms energy: -212.143088 where: bonds (distance) C4'-P energy: -70.716 bonds (distance) P-C4' energy: -70.423 flat angles C4'-P-C4' energy: -39.090 flat angles P-C4'-P energy: -37.037 tors. eta vs tors. theta energy: 5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1340.428767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.428767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.428767 (E_RNA) where: Base-Base interactions energy: -922.934 where: short stacking energy: -407.587 Base-Backbone interact. energy: -1.183 local terms energy: -416.311567 where: bonds (distance) C4'-P energy: -70.786 bonds (distance) P-C4' energy: -84.662 flat angles C4'-P-C4' energy: -89.188 flat angles P-C4'-P energy: -62.866 tors. eta vs tors. theta energy: -108.810 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: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1239.842427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.842427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.842427 (E_RNA) where: Base-Base interactions energy: -839.078 where: short stacking energy: -380.560 Base-Backbone interact. energy: -3.949 local terms energy: -396.815766 where: bonds (distance) C4'-P energy: -73.978 bonds (distance) P-C4' energy: -85.134 flat angles C4'-P-C4' energy: -87.510 flat angles P-C4'-P energy: -60.340 tors. eta vs tors. theta energy: -89.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1165.381443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.381443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.381443 (E_RNA) where: Base-Base interactions energy: -792.355 where: short stacking energy: -344.945 Base-Backbone interact. energy: 0.560 local terms energy: -373.586384 where: bonds (distance) C4'-P energy: -81.985 bonds (distance) P-C4' energy: -81.275 flat angles C4'-P-C4' energy: -86.396 flat angles P-C4'-P energy: -43.238 tors. eta vs tors. theta energy: -80.693 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: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1045.370205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.370205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.370205 (E_RNA) where: Base-Base interactions energy: -671.013 where: short stacking energy: -314.613 Base-Backbone interact. energy: -1.736 local terms energy: -372.621289 where: bonds (distance) C4'-P energy: -85.121 bonds (distance) P-C4' energy: -80.059 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -53.289 tors. eta vs tors. theta energy: -72.514 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: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -994.526665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.526665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.526665 (E_RNA) where: Base-Base interactions energy: -644.225 where: short stacking energy: -314.021 Base-Backbone interact. energy: -1.124 local terms energy: -349.178625 where: bonds (distance) C4'-P energy: -75.833 bonds (distance) P-C4' energy: -74.951 flat angles C4'-P-C4' energy: -85.107 flat angles P-C4'-P energy: -40.980 tors. eta vs tors. theta energy: -72.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1031.084382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.084382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.084382 (E_RNA) where: Base-Base interactions energy: -678.882 where: short stacking energy: -304.340 Base-Backbone interact. energy: -2.639 local terms energy: -349.563998 where: bonds (distance) C4'-P energy: -69.779 bonds (distance) P-C4' energy: -90.126 flat angles C4'-P-C4' energy: -83.837 flat angles P-C4'-P energy: -43.581 tors. eta vs tors. theta energy: -62.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -891.891447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.891447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.891447 (E_RNA) where: Base-Base interactions energy: -578.498 where: short stacking energy: -277.981 Base-Backbone interact. energy: -0.320 local terms energy: -313.073674 where: bonds (distance) C4'-P energy: -63.790 bonds (distance) P-C4' energy: -75.440 flat angles C4'-P-C4' energy: -73.198 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -50.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -865.409144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.409144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.409144 (E_RNA) where: Base-Base interactions energy: -552.956 where: short stacking energy: -253.782 Base-Backbone interact. energy: -1.681 local terms energy: -310.772786 where: bonds (distance) C4'-P energy: -76.261 bonds (distance) P-C4' energy: -58.567 flat angles C4'-P-C4' energy: -67.767 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -54.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -695.646471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.646471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.646471 (E_RNA) where: Base-Base interactions energy: -420.910 where: short stacking energy: -201.763 Base-Backbone interact. energy: 0.409 local terms energy: -275.146235 where: bonds (distance) C4'-P energy: -59.238 bonds (distance) P-C4' energy: -85.928 flat angles C4'-P-C4' energy: -53.345 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -32.777 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: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -454.555757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.555757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.555757 (E_RNA) where: Base-Base interactions energy: -215.541 where: short stacking energy: -130.831 Base-Backbone interact. energy: -1.277 local terms energy: -237.737816 where: bonds (distance) C4'-P energy: -60.509 bonds (distance) P-C4' energy: -87.569 flat angles C4'-P-C4' energy: -57.822 flat angles P-C4'-P energy: -37.251 tors. eta vs tors. theta energy: 5.413 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: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1325.462278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.462278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.462278 (E_RNA) where: Base-Base interactions energy: -883.969 where: short stacking energy: -396.318 Base-Backbone interact. energy: -3.147 local terms energy: -438.345850 where: bonds (distance) C4'-P energy: -86.116 bonds (distance) P-C4' energy: -87.666 flat angles C4'-P-C4' energy: -87.266 flat angles P-C4'-P energy: -61.168 tors. eta vs tors. theta energy: -116.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1260.715585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.715585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.715585 (E_RNA) where: Base-Base interactions energy: -850.063 where: short stacking energy: -369.642 Base-Backbone interact. energy: -2.321 local terms energy: -408.332023 where: bonds (distance) C4'-P energy: -78.998 bonds (distance) P-C4' energy: -82.502 flat angles C4'-P-C4' energy: -90.002 flat angles P-C4'-P energy: -63.132 tors. eta vs tors. theta energy: -93.697 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: 3, replica: 10 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1158.358146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.358146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.358146 (E_RNA) where: Base-Base interactions energy: -757.066 where: short stacking energy: -374.604 Base-Backbone interact. energy: -1.023 local terms energy: -400.269355 where: bonds (distance) C4'-P energy: -72.340 bonds (distance) P-C4' energy: -85.290 flat angles C4'-P-C4' energy: -89.123 flat angles P-C4'-P energy: -48.976 tors. eta vs tors. theta energy: -104.540 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: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1045.551584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.551584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.551584 (E_RNA) where: Base-Base interactions energy: -681.910 where: short stacking energy: -317.940 Base-Backbone interact. energy: -1.464 local terms energy: -362.177730 where: bonds (distance) C4'-P energy: -77.436 bonds (distance) P-C4' energy: -81.467 flat angles C4'-P-C4' energy: -76.943 flat angles P-C4'-P energy: -50.654 tors. eta vs tors. theta energy: -75.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1031.765425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.765425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.765425 (E_RNA) where: Base-Base interactions energy: -661.725 where: short stacking energy: -334.578 Base-Backbone interact. energy: -1.407 local terms energy: -368.633512 where: bonds (distance) C4'-P energy: -76.177 bonds (distance) P-C4' energy: -70.070 flat angles C4'-P-C4' energy: -83.932 flat angles P-C4'-P energy: -49.370 tors. eta vs tors. theta energy: -89.085 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: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -955.554778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.554778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.554778 (E_RNA) where: Base-Base interactions energy: -612.974 where: short stacking energy: -282.684 Base-Backbone interact. energy: -1.626 local terms energy: -340.954741 where: bonds (distance) C4'-P energy: -65.995 bonds (distance) P-C4' energy: -60.713 flat angles C4'-P-C4' energy: -73.253 flat angles P-C4'-P energy: -67.512 tors. eta vs tors. theta energy: -73.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -944.165305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.165305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.165305 (E_RNA) where: Base-Base interactions energy: -633.042 where: short stacking energy: -277.919 Base-Backbone interact. energy: -0.597 local terms energy: -310.525974 where: bonds (distance) C4'-P energy: -68.546 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -76.730 flat angles P-C4'-P energy: -46.144 tors. eta vs tors. theta energy: -54.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -788.975015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.975015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.975015 (E_RNA) where: Base-Base interactions energy: -505.874 where: short stacking energy: -221.759 Base-Backbone interact. energy: 0.179 local terms energy: -283.280206 where: bonds (distance) C4'-P energy: -64.919 bonds (distance) P-C4' energy: -63.337 flat angles C4'-P-C4' energy: -60.772 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: -36.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -717.364861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.364861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.364861 (E_RNA) where: Base-Base interactions energy: -442.790 where: short stacking energy: -209.639 Base-Backbone interact. energy: 3.106 local terms energy: -277.680725 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -65.869 flat angles C4'-P-C4' energy: -67.662 flat angles P-C4'-P energy: -34.679 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: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -460.341525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.341525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.341525 (E_RNA) where: Base-Base interactions energy: -230.433 where: short stacking energy: -138.295 Base-Backbone interact. energy: 1.029 local terms energy: -230.937020 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -64.016 flat angles C4'-P-C4' energy: -68.959 flat angles P-C4'-P energy: -28.304 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1342.751730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.751730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.751730 (E_RNA) where: Base-Base interactions energy: -889.147 where: short stacking energy: -411.013 Base-Backbone interact. energy: -3.154 local terms energy: -450.451423 where: bonds (distance) C4'-P energy: -80.787 bonds (distance) P-C4' energy: -92.205 flat angles C4'-P-C4' energy: -105.490 flat angles P-C4'-P energy: -51.763 tors. eta vs tors. theta energy: -120.207 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: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1261.276969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.276969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.276969 (E_RNA) where: Base-Base interactions energy: -866.619 where: short stacking energy: -391.293 Base-Backbone interact. energy: 3.526 local terms energy: -398.183227 where: bonds (distance) C4'-P energy: -76.675 bonds (distance) P-C4' energy: -90.298 flat angles C4'-P-C4' energy: -81.161 flat angles P-C4'-P energy: -57.718 tors. eta vs tors. theta energy: -92.331 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: 10 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1190.963393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.963393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.963393 (E_RNA) where: Base-Base interactions energy: -798.896 where: short stacking energy: -367.506 Base-Backbone interact. energy: -1.942 local terms energy: -390.125737 where: bonds (distance) C4'-P energy: -70.582 bonds (distance) P-C4' energy: -84.705 flat angles C4'-P-C4' energy: -91.091 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -88.019 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: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1094.859598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.859598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.859598 (E_RNA) where: Base-Base interactions energy: -719.393 where: short stacking energy: -323.048 Base-Backbone interact. energy: -1.157 local terms energy: -374.309467 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -74.370 flat angles C4'-P-C4' energy: -79.545 flat angles P-C4'-P energy: -61.164 tors. eta vs tors. theta energy: -77.192 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: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1011.919838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.919838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.919838 (E_RNA) where: Base-Base interactions energy: -665.792 where: short stacking energy: -286.772 Base-Backbone interact. energy: -2.826 local terms energy: -343.301832 where: bonds (distance) C4'-P energy: -69.496 bonds (distance) P-C4' energy: -75.230 flat angles C4'-P-C4' energy: -82.965 flat angles P-C4'-P energy: -47.049 tors. eta vs tors. theta energy: -68.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -983.133673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.133673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.133673 (E_RNA) where: Base-Base interactions energy: -640.151 where: short stacking energy: -278.468 Base-Backbone interact. energy: -1.653 local terms energy: -341.329888 where: bonds (distance) C4'-P energy: -81.992 bonds (distance) P-C4' energy: -62.932 flat angles C4'-P-C4' energy: -73.936 flat angles P-C4'-P energy: -63.342 tors. eta vs tors. theta energy: -59.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -946.377070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.377070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.377070 (E_RNA) where: Base-Base interactions energy: -628.540 where: short stacking energy: -288.976 Base-Backbone interact. energy: -0.617 local terms energy: -317.220538 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -85.027 flat angles C4'-P-C4' energy: -66.608 flat angles P-C4'-P energy: -41.711 tors. eta vs tors. theta energy: -58.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -745.880753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.880753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.880753 (E_RNA) where: Base-Base interactions energy: -460.227 where: short stacking energy: -215.021 Base-Backbone interact. energy: -3.069 local terms energy: -282.584857 where: bonds (distance) C4'-P energy: -74.671 bonds (distance) P-C4' energy: -77.214 flat angles C4'-P-C4' energy: -64.442 flat angles P-C4'-P energy: -31.926 tors. eta vs tors. theta energy: -34.331 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: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -718.207235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.207235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.207235 (E_RNA) where: Base-Base interactions energy: -431.981 where: short stacking energy: -203.332 Base-Backbone interact. energy: -1.466 local terms energy: -284.760813 where: bonds (distance) C4'-P energy: -57.956 bonds (distance) P-C4' energy: -75.889 flat angles C4'-P-C4' energy: -81.371 flat angles P-C4'-P energy: -39.426 tors. eta vs tors. theta energy: -30.118 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: 10, replica: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -428.766920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.766920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.766920 (E_RNA) where: Base-Base interactions energy: -227.973 where: short stacking energy: -130.047 Base-Backbone interact. energy: -1.723 local terms energy: -199.070512 where: bonds (distance) C4'-P energy: -68.457 bonds (distance) P-C4' energy: -63.389 flat angles C4'-P-C4' energy: -48.979 flat angles P-C4'-P energy: -24.383 tors. eta vs tors. theta energy: 6.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1323.326613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.326613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.326613 (E_RNA) where: Base-Base interactions energy: -893.210 where: short stacking energy: -392.293 Base-Backbone interact. energy: -2.279 local terms energy: -427.837025 where: bonds (distance) C4'-P energy: -89.906 bonds (distance) P-C4' energy: -79.559 flat angles C4'-P-C4' energy: -93.298 flat angles P-C4'-P energy: -54.364 tors. eta vs tors. theta energy: -110.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1235.112411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.112411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.112411 (E_RNA) where: Base-Base interactions energy: -859.902 where: short stacking energy: -357.788 Base-Backbone interact. energy: -0.626 local terms energy: -374.583854 where: bonds (distance) C4'-P energy: -72.047 bonds (distance) P-C4' energy: -78.155 flat angles C4'-P-C4' energy: -85.031 flat angles P-C4'-P energy: -53.224 tors. eta vs tors. theta energy: -86.127 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: 3, replica: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1158.984920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.984920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.984920 (E_RNA) where: Base-Base interactions energy: -763.618 where: short stacking energy: -378.142 Base-Backbone interact. energy: 3.022 local terms energy: -398.389390 where: bonds (distance) C4'-P energy: -76.885 bonds (distance) P-C4' energy: -83.756 flat angles C4'-P-C4' energy: -88.393 flat angles P-C4'-P energy: -54.958 tors. eta vs tors. theta energy: -94.398 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: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1124.815069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.815069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.815069 (E_RNA) where: Base-Base interactions energy: -750.259 where: short stacking energy: -343.503 Base-Backbone interact. energy: -1.336 local terms energy: -373.220093 where: bonds (distance) C4'-P energy: -81.831 bonds (distance) P-C4' energy: -76.350 flat angles C4'-P-C4' energy: -83.029 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -82.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1007.048003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.048003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.048003 (E_RNA) where: Base-Base interactions energy: -681.004 where: short stacking energy: -309.497 Base-Backbone interact. energy: 1.082 local terms energy: -327.125647 where: bonds (distance) C4'-P energy: -70.821 bonds (distance) P-C4' energy: -66.769 flat angles C4'-P-C4' energy: -82.676 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -56.343 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: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -985.118914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.118914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.118914 (E_RNA) where: Base-Base interactions energy: -617.331 where: short stacking energy: -266.848 Base-Backbone interact. energy: -1.971 local terms energy: -365.816465 where: bonds (distance) C4'-P energy: -81.192 bonds (distance) P-C4' energy: -89.320 flat angles C4'-P-C4' energy: -82.356 flat angles P-C4'-P energy: -44.707 tors. eta vs tors. theta energy: -68.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -940.367402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.367402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.367402 (E_RNA) where: Base-Base interactions energy: -647.242 where: short stacking energy: -264.754 Base-Backbone interact. energy: -0.873 local terms energy: -292.252290 where: bonds (distance) C4'-P energy: -73.292 bonds (distance) P-C4' energy: -65.094 flat angles C4'-P-C4' energy: -63.636 flat angles P-C4'-P energy: -41.166 tors. eta vs tors. theta energy: -49.065 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: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -762.630825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.630825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.630825 (E_RNA) where: Base-Base interactions energy: -434.844 where: short stacking energy: -218.583 Base-Backbone interact. energy: -0.328 local terms energy: -327.458602 where: bonds (distance) C4'-P energy: -81.083 bonds (distance) P-C4' energy: -77.448 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -59.396 tors. eta vs tors. theta energy: -42.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -736.941013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.941013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.941013 (E_RNA) where: Base-Base interactions energy: -451.065 where: short stacking energy: -223.076 Base-Backbone interact. energy: 0.580 local terms energy: -286.456540 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -77.456 flat angles C4'-P-C4' energy: -74.744 flat angles P-C4'-P energy: -37.533 tors. eta vs tors. theta energy: -38.334 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: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -389.067546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.067546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.067546 (E_RNA) where: Base-Base interactions energy: -157.914 where: short stacking energy: -116.695 Base-Backbone interact. energy: -2.016 local terms energy: -229.138170 where: bonds (distance) C4'-P energy: -65.563 bonds (distance) P-C4' energy: -56.002 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -45.018 tors. eta vs tors. theta energy: 2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1315.139235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.139235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.139235 (E_RNA) where: Base-Base interactions energy: -887.709 where: short stacking energy: -390.824 Base-Backbone interact. energy: -2.072 local terms energy: -425.358180 where: bonds (distance) C4'-P energy: -80.094 bonds (distance) P-C4' energy: -82.476 flat angles C4'-P-C4' energy: -87.568 flat angles P-C4'-P energy: -61.683 tors. eta vs tors. theta energy: -113.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1246.924507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.924507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.924507 (E_RNA) where: Base-Base interactions energy: -853.570 where: short stacking energy: -366.217 Base-Backbone interact. energy: -3.023 local terms energy: -390.332358 where: bonds (distance) C4'-P energy: -82.080 bonds (distance) P-C4' energy: -83.869 flat angles C4'-P-C4' energy: -76.775 flat angles P-C4'-P energy: -54.608 tors. eta vs tors. theta energy: -93.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1169.668241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.668241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.668241 (E_RNA) where: Base-Base interactions energy: -772.144 where: short stacking energy: -375.601 Base-Backbone interact. energy: -2.771 local terms energy: -394.752683 where: bonds (distance) C4'-P energy: -72.451 bonds (distance) P-C4' energy: -74.076 flat angles C4'-P-C4' energy: -88.314 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: -93.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1154.974768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.974768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.974768 (E_RNA) where: Base-Base interactions energy: -760.128 where: short stacking energy: -340.440 Base-Backbone interact. energy: -0.927 local terms energy: -393.919370 where: bonds (distance) C4'-P energy: -72.565 bonds (distance) P-C4' energy: -83.042 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -59.424 tors. eta vs tors. theta energy: -89.291 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: 41 Temperature: 1.100000 Total energy: -1029.820800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.820800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.820800 (E_RNA) where: Base-Base interactions energy: -667.164 where: short stacking energy: -299.873 Base-Backbone interact. energy: -0.436 local terms energy: -362.220737 where: bonds (distance) C4'-P energy: -74.304 bonds (distance) P-C4' energy: -81.553 flat angles C4'-P-C4' energy: -86.741 flat angles P-C4'-P energy: -53.199 tors. eta vs tors. theta energy: -66.423 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: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -991.112484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.112484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.112484 (E_RNA) where: Base-Base interactions energy: -643.216 where: short stacking energy: -297.336 Base-Backbone interact. energy: 0.374 local terms energy: -348.270701 where: bonds (distance) C4'-P energy: -72.288 bonds (distance) P-C4' energy: -83.839 flat angles C4'-P-C4' energy: -73.497 flat angles P-C4'-P energy: -57.060 tors. eta vs tors. theta energy: -61.586 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: 41 Temperature: 1.200000 Total energy: -901.239027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.239027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.239027 (E_RNA) where: Base-Base interactions energy: -598.639 where: short stacking energy: -266.429 Base-Backbone interact. energy: -2.481 local terms energy: -300.119046 where: bonds (distance) C4'-P energy: -54.785 bonds (distance) P-C4' energy: -64.676 flat angles C4'-P-C4' energy: -83.314 flat angles P-C4'-P energy: -44.903 tors. eta vs tors. theta energy: -52.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -813.324966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.324966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.324966 (E_RNA) where: Base-Base interactions energy: -518.728 where: short stacking energy: -235.033 Base-Backbone interact. energy: -0.412 local terms energy: -294.184974 where: bonds (distance) C4'-P energy: -60.479 bonds (distance) P-C4' energy: -71.722 flat angles C4'-P-C4' energy: -73.967 flat angles P-C4'-P energy: -42.064 tors. eta vs tors. theta energy: -45.953 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: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -797.264316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.264316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.264316 (E_RNA) where: Base-Base interactions energy: -530.239 where: short stacking energy: -235.327 Base-Backbone interact. energy: 1.431 local terms energy: -268.456587 where: bonds (distance) C4'-P energy: -69.815 bonds (distance) P-C4' energy: -70.499 flat angles C4'-P-C4' energy: -63.854 flat angles P-C4'-P energy: -28.643 tors. eta vs tors. theta energy: -35.646 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: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -343.525310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.525310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.525310 (E_RNA) where: Base-Base interactions energy: -150.230 where: short stacking energy: -104.171 Base-Backbone interact. energy: -1.819 local terms energy: -191.476608 where: bonds (distance) C4'-P energy: -57.969 bonds (distance) P-C4' energy: -73.607 flat angles C4'-P-C4' energy: -64.738 flat angles P-C4'-P energy: -30.911 tors. eta vs tors. theta energy: 35.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1334.717144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.717144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.717144 (E_RNA) where: Base-Base interactions energy: -907.537 where: short stacking energy: -403.665 Base-Backbone interact. energy: -2.132 local terms energy: -425.048178 where: bonds (distance) C4'-P energy: -77.719 bonds (distance) P-C4' energy: -91.258 flat angles C4'-P-C4' energy: -85.138 flat angles P-C4'-P energy: -60.356 tors. eta vs tors. theta energy: -110.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1225.497824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.497824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.497824 (E_RNA) where: Base-Base interactions energy: -831.661 where: short stacking energy: -362.315 Base-Backbone interact. energy: 4.072 local terms energy: -397.909114 where: bonds (distance) C4'-P energy: -77.183 bonds (distance) P-C4' energy: -85.941 flat angles C4'-P-C4' energy: -83.348 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -93.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1192.534505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.534505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.534505 (E_RNA) where: Base-Base interactions energy: -785.125 where: short stacking energy: -356.480 Base-Backbone interact. energy: -0.856 local terms energy: -406.553708 where: bonds (distance) C4'-P energy: -83.465 bonds (distance) P-C4' energy: -80.668 flat angles C4'-P-C4' energy: -83.965 flat angles P-C4'-P energy: -65.430 tors. eta vs tors. theta energy: -93.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1157.819247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.819247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.819247 (E_RNA) where: Base-Base interactions energy: -758.022 where: short stacking energy: -342.800 Base-Backbone interact. energy: -2.639 local terms energy: -397.158051 where: bonds (distance) C4'-P energy: -74.778 bonds (distance) P-C4' energy: -82.584 flat angles C4'-P-C4' energy: -86.228 flat angles P-C4'-P energy: -57.574 tors. eta vs tors. theta energy: -95.993 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: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1036.584262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.584262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.584262 (E_RNA) where: Base-Base interactions energy: -678.895 where: short stacking energy: -307.353 Base-Backbone interact. energy: 2.610 local terms energy: -360.299537 where: bonds (distance) C4'-P energy: -72.852 bonds (distance) P-C4' energy: -86.484 flat angles C4'-P-C4' energy: -83.365 flat angles P-C4'-P energy: -55.831 tors. eta vs tors. theta energy: -61.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -949.528147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.528147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.528147 (E_RNA) where: Base-Base interactions energy: -629.372 where: short stacking energy: -255.280 Base-Backbone interact. energy: -0.199 local terms energy: -319.957040 where: bonds (distance) C4'-P energy: -65.589 bonds (distance) P-C4' energy: -75.498 flat angles C4'-P-C4' energy: -84.346 flat angles P-C4'-P energy: -42.842 tors. eta vs tors. theta energy: -51.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -904.605569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.605569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.605569 (E_RNA) where: Base-Base interactions energy: -590.154 where: short stacking energy: -265.317 Base-Backbone interact. energy: 3.516 local terms energy: -317.967727 where: bonds (distance) C4'-P energy: -88.542 bonds (distance) P-C4' energy: -66.023 flat angles C4'-P-C4' energy: -69.639 flat angles P-C4'-P energy: -45.199 tors. eta vs tors. theta energy: -48.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -838.705617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.705617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.705617 (E_RNA) where: Base-Base interactions energy: -537.443 where: short stacking energy: -252.219 Base-Backbone interact. energy: 1.372 local terms energy: -302.633827 where: bonds (distance) C4'-P energy: -73.688 bonds (distance) P-C4' energy: -60.638 flat angles C4'-P-C4' energy: -69.839 flat angles P-C4'-P energy: -45.112 tors. eta vs tors. theta energy: -53.357 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: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -833.110635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.110635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.110635 (E_RNA) where: Base-Base interactions energy: -536.248 where: short stacking energy: -233.476 Base-Backbone interact. energy: 0.328 local terms energy: -297.190967 where: bonds (distance) C4'-P energy: -74.420 bonds (distance) P-C4' energy: -65.172 flat angles C4'-P-C4' energy: -62.279 flat angles P-C4'-P energy: -46.048 tors. eta vs tors. theta energy: -49.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -345.319947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.319947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.319947 (E_RNA) where: Base-Base interactions energy: -93.803 where: short stacking energy: -85.232 Base-Backbone interact. energy: -2.377 local terms energy: -249.139872 where: bonds (distance) C4'-P energy: -89.758 bonds (distance) P-C4' energy: -81.223 flat angles C4'-P-C4' energy: -61.992 flat angles P-C4'-P energy: -28.428 tors. eta vs tors. theta energy: 12.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1334.566887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.566887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.566887 (E_RNA) where: Base-Base interactions energy: -890.433 where: short stacking energy: -400.457 Base-Backbone interact. energy: -1.322 local terms energy: -442.812668 where: bonds (distance) C4'-P energy: -74.889 bonds (distance) P-C4' energy: -94.565 flat angles C4'-P-C4' energy: -101.464 flat angles P-C4'-P energy: -59.216 tors. eta vs tors. theta energy: -112.678 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: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1244.847388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.847388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.847388 (E_RNA) where: Base-Base interactions energy: -848.745 where: short stacking energy: -389.106 Base-Backbone interact. energy: -1.372 local terms energy: -394.730420 where: bonds (distance) C4'-P energy: -75.641 bonds (distance) P-C4' energy: -84.670 flat angles C4'-P-C4' energy: -80.646 flat angles P-C4'-P energy: -56.269 tors. eta vs tors. theta energy: -97.504 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: 43 Temperature: 1.000000 Total energy: -1223.271187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.271187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.271187 (E_RNA) where: Base-Base interactions energy: -790.316 where: short stacking energy: -359.664 Base-Backbone interact. energy: -1.205 local terms energy: -431.749703 where: bonds (distance) C4'-P energy: -86.996 bonds (distance) P-C4' energy: -87.421 flat angles C4'-P-C4' energy: -92.826 flat angles P-C4'-P energy: -59.607 tors. eta vs tors. theta energy: -104.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1095.215466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.215466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.215466 (E_RNA) where: Base-Base interactions energy: -718.603 where: short stacking energy: -344.382 Base-Backbone interact. energy: 2.762 local terms energy: -379.374341 where: bonds (distance) C4'-P energy: -67.254 bonds (distance) P-C4' energy: -82.864 flat angles C4'-P-C4' energy: -89.463 flat angles P-C4'-P energy: -54.368 tors. eta vs tors. theta energy: -85.426 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: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1006.825550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.825550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.825550 (E_RNA) where: Base-Base interactions energy: -654.588 where: short stacking energy: -308.279 Base-Backbone interact. energy: -0.938 local terms energy: -351.300006 where: bonds (distance) C4'-P energy: -85.329 bonds (distance) P-C4' energy: -78.418 flat angles C4'-P-C4' energy: -85.231 flat angles P-C4'-P energy: -39.248 tors. eta vs tors. theta energy: -63.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -962.016222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.016222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.016222 (E_RNA) where: Base-Base interactions energy: -624.182 where: short stacking energy: -300.576 Base-Backbone interact. energy: 1.422 local terms energy: -339.256636 where: bonds (distance) C4'-P energy: -74.197 bonds (distance) P-C4' energy: -73.452 flat angles C4'-P-C4' energy: -74.380 flat angles P-C4'-P energy: -45.673 tors. eta vs tors. theta energy: -71.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -938.093291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.093291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.093291 (E_RNA) where: Base-Base interactions energy: -612.315 where: short stacking energy: -279.367 Base-Backbone interact. energy: -0.861 local terms energy: -324.917056 where: bonds (distance) C4'-P energy: -76.226 bonds (distance) P-C4' energy: -71.983 flat angles C4'-P-C4' energy: -71.109 flat angles P-C4'-P energy: -46.356 tors. eta vs tors. theta energy: -59.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -865.523241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.523241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.523241 (E_RNA) where: Base-Base interactions energy: -551.233 where: short stacking energy: -255.197 Base-Backbone interact. energy: -1.547 local terms energy: -312.743441 where: bonds (distance) C4'-P energy: -60.301 bonds (distance) P-C4' energy: -78.395 flat angles C4'-P-C4' energy: -75.148 flat angles P-C4'-P energy: -47.147 tors. eta vs tors. theta energy: -51.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -685.805790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.805790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.805790 (E_RNA) where: Base-Base interactions energy: -418.102 where: short stacking energy: -207.153 Base-Backbone interact. energy: -1.700 local terms energy: -266.004133 where: bonds (distance) C4'-P energy: -57.166 bonds (distance) P-C4' energy: -75.193 flat angles C4'-P-C4' energy: -70.934 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: -30.962 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: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -357.811668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.811668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.811668 (E_RNA) where: Base-Base interactions energy: -128.901 where: short stacking energy: -113.902 Base-Backbone interact. energy: 3.345 local terms energy: -232.255929 where: bonds (distance) C4'-P energy: -69.286 bonds (distance) P-C4' energy: -77.152 flat angles C4'-P-C4' energy: -49.165 flat angles P-C4'-P energy: -37.635 tors. eta vs tors. theta energy: 0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1336.008908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.008908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.008908 (E_RNA) where: Base-Base interactions energy: -888.476 where: short stacking energy: -413.533 Base-Backbone interact. energy: -1.264 local terms energy: -446.269097 where: bonds (distance) C4'-P energy: -92.564 bonds (distance) P-C4' energy: -87.017 flat angles C4'-P-C4' energy: -91.291 flat angles P-C4'-P energy: -65.613 tors. eta vs tors. theta energy: -109.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1207.706059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.706059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.706059 (E_RNA) where: Base-Base interactions energy: -811.107 where: short stacking energy: -350.758 Base-Backbone interact. energy: -0.690 local terms energy: -395.908680 where: bonds (distance) C4'-P energy: -73.411 bonds (distance) P-C4' energy: -77.612 flat angles C4'-P-C4' energy: -95.575 flat angles P-C4'-P energy: -57.860 tors. eta vs tors. theta energy: -91.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1165.993461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.993461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.993461 (E_RNA) where: Base-Base interactions energy: -767.225 where: short stacking energy: -339.764 Base-Backbone interact. energy: -1.976 local terms energy: -396.792177 where: bonds (distance) C4'-P energy: -73.410 bonds (distance) P-C4' energy: -88.730 flat angles C4'-P-C4' energy: -93.657 flat angles P-C4'-P energy: -61.906 tors. eta vs tors. theta energy: -79.089 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: 9 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1145.280706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.280706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.280706 (E_RNA) where: Base-Base interactions energy: -743.248 where: short stacking energy: -349.791 Base-Backbone interact. energy: 1.065 local terms energy: -403.097437 where: bonds (distance) C4'-P energy: -82.788 bonds (distance) P-C4' energy: -81.062 flat angles C4'-P-C4' energy: -86.854 flat angles P-C4'-P energy: -62.917 tors. eta vs tors. theta energy: -89.476 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: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -970.347324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.347324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.347324 (E_RNA) where: Base-Base interactions energy: -642.502 where: short stacking energy: -275.372 Base-Backbone interact. energy: -1.447 local terms energy: -326.398273 where: bonds (distance) C4'-P energy: -61.679 bonds (distance) P-C4' energy: -77.573 flat angles C4'-P-C4' energy: -80.148 flat angles P-C4'-P energy: -47.943 tors. eta vs tors. theta energy: -59.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1007.692866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.692866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.692866 (E_RNA) where: Base-Base interactions energy: -650.841 where: short stacking energy: -297.967 Base-Backbone interact. energy: 4.138 local terms energy: -360.989399 where: bonds (distance) C4'-P energy: -89.690 bonds (distance) P-C4' energy: -69.824 flat angles C4'-P-C4' energy: -80.384 flat angles P-C4'-P energy: -48.354 tors. eta vs tors. theta energy: -72.737 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: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -918.865305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.865305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.865305 (E_RNA) where: Base-Base interactions energy: -612.299 where: short stacking energy: -256.439 Base-Backbone interact. energy: -2.091 local terms energy: -304.475101 where: bonds (distance) C4'-P energy: -80.062 bonds (distance) P-C4' energy: -56.869 flat angles C4'-P-C4' energy: -66.332 flat angles P-C4'-P energy: -44.718 tors. eta vs tors. theta energy: -56.494 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: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -888.931290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.931290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.931290 (E_RNA) where: Base-Base interactions energy: -577.205 where: short stacking energy: -274.544 Base-Backbone interact. energy: -0.194 local terms energy: -311.532738 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -51.609 flat angles C4'-P-C4' energy: -73.489 flat angles P-C4'-P energy: -53.174 tors. eta vs tors. theta energy: -68.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -646.387711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.387711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.387711 (E_RNA) where: Base-Base interactions energy: -397.056 where: short stacking energy: -178.971 Base-Backbone interact. energy: 1.420 local terms energy: -250.750977 where: bonds (distance) C4'-P energy: -61.699 bonds (distance) P-C4' energy: -68.662 flat angles C4'-P-C4' energy: -58.655 flat angles P-C4'-P energy: -36.247 tors. eta vs tors. theta energy: -25.487 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: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -342.090437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.090437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.090437 (E_RNA) where: Base-Base interactions energy: -128.011 where: short stacking energy: -93.593 Base-Backbone interact. energy: -0.426 local terms energy: -213.653385 where: bonds (distance) C4'-P energy: -78.673 bonds (distance) P-C4' energy: -65.109 flat angles C4'-P-C4' energy: -58.065 flat angles P-C4'-P energy: -30.586 tors. eta vs tors. theta energy: 18.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1354.764000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.764000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.764000 (E_RNA) where: Base-Base interactions energy: -904.930 where: short stacking energy: -405.286 Base-Backbone interact. energy: -3.633 local terms energy: -446.201038 where: bonds (distance) C4'-P energy: -80.530 bonds (distance) P-C4' energy: -94.566 flat angles C4'-P-C4' energy: -99.019 flat angles P-C4'-P energy: -62.733 tors. eta vs tors. theta energy: -109.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1269.880960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.880960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.880960 (E_RNA) where: Base-Base interactions energy: -870.672 where: short stacking energy: -366.833 Base-Backbone interact. energy: 0.559 local terms energy: -399.767606 where: bonds (distance) C4'-P energy: -80.122 bonds (distance) P-C4' energy: -90.342 flat angles C4'-P-C4' energy: -86.116 flat angles P-C4'-P energy: -52.998 tors. eta vs tors. theta energy: -90.190 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: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1198.670548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.670548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.670548 (E_RNA) where: Base-Base interactions energy: -787.842 where: short stacking energy: -367.607 Base-Backbone interact. energy: -0.157 local terms energy: -410.671449 where: bonds (distance) C4'-P energy: -75.692 bonds (distance) P-C4' energy: -89.807 flat angles C4'-P-C4' energy: -96.401 flat angles P-C4'-P energy: -62.082 tors. eta vs tors. theta energy: -86.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1167.007006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.007006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.007006 (E_RNA) where: Base-Base interactions energy: -790.562 where: short stacking energy: -357.303 Base-Backbone interact. energy: -1.172 local terms energy: -375.272807 where: bonds (distance) C4'-P energy: -77.204 bonds (distance) P-C4' energy: -73.416 flat angles C4'-P-C4' energy: -79.409 flat angles P-C4'-P energy: -63.444 tors. eta vs tors. theta energy: -81.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -982.457392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.457392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.457392 (E_RNA) where: Base-Base interactions energy: -634.028 where: short stacking energy: -294.501 Base-Backbone interact. energy: -1.357 local terms energy: -347.072962 where: bonds (distance) C4'-P energy: -72.372 bonds (distance) P-C4' energy: -76.953 flat angles C4'-P-C4' energy: -77.751 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -71.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1020.382823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.382823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.382823 (E_RNA) where: Base-Base interactions energy: -666.282 where: short stacking energy: -292.390 Base-Backbone interact. energy: -1.810 local terms energy: -352.290483 where: bonds (distance) C4'-P energy: -71.436 bonds (distance) P-C4' energy: -73.109 flat angles C4'-P-C4' energy: -86.374 flat angles P-C4'-P energy: -56.582 tors. eta vs tors. theta energy: -64.789 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: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -987.021197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.021197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.021197 (E_RNA) where: Base-Base interactions energy: -644.181 where: short stacking energy: -272.459 Base-Backbone interact. energy: 0.877 local terms energy: -343.717585 where: bonds (distance) C4'-P energy: -71.702 bonds (distance) P-C4' energy: -72.265 flat angles C4'-P-C4' energy: -83.190 flat angles P-C4'-P energy: -57.368 tors. eta vs tors. theta energy: -59.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -924.029702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.029702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.029702 (E_RNA) where: Base-Base interactions energy: -593.713 where: short stacking energy: -265.365 Base-Backbone interact. energy: 0.663 local terms energy: -330.979617 where: bonds (distance) C4'-P energy: -66.948 bonds (distance) P-C4' energy: -72.497 flat angles C4'-P-C4' energy: -88.790 flat angles P-C4'-P energy: -35.629 tors. eta vs tors. theta energy: -67.116 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: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -621.213009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.213009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.213009 (E_RNA) where: Base-Base interactions energy: -336.846 where: short stacking energy: -167.177 Base-Backbone interact. energy: -0.854 local terms energy: -283.513498 where: bonds (distance) C4'-P energy: -64.571 bonds (distance) P-C4' energy: -78.449 flat angles C4'-P-C4' energy: -71.599 flat angles P-C4'-P energy: -49.144 tors. eta vs tors. theta energy: -19.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -362.108282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.108282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.108282 (E_RNA) where: Base-Base interactions energy: -148.550 where: short stacking energy: -104.712 Base-Backbone interact. energy: -0.426 local terms energy: -213.132791 where: bonds (distance) C4'-P energy: -70.277 bonds (distance) P-C4' energy: -66.837 flat angles C4'-P-C4' energy: -68.702 flat angles P-C4'-P energy: -28.946 tors. eta vs tors. theta energy: 21.630 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: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1386.433950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.433950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.433950 (E_RNA) where: Base-Base interactions energy: -931.645 where: short stacking energy: -424.408 Base-Backbone interact. energy: -1.205 local terms energy: -453.583283 where: bonds (distance) C4'-P energy: -83.240 bonds (distance) P-C4' energy: -94.028 flat angles C4'-P-C4' energy: -91.837 flat angles P-C4'-P energy: -63.858 tors. eta vs tors. theta energy: -120.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1251.322540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.322540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.322540 (E_RNA) where: Base-Base interactions energy: -823.022 where: short stacking energy: -376.141 Base-Backbone interact. energy: -1.927 local terms energy: -426.373791 where: bonds (distance) C4'-P energy: -86.471 bonds (distance) P-C4' energy: -71.702 flat angles C4'-P-C4' energy: -97.285 flat angles P-C4'-P energy: -58.440 tors. eta vs tors. theta energy: -112.475 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: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1190.207977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.207977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.207977 (E_RNA) where: Base-Base interactions energy: -826.225 where: short stacking energy: -369.018 Base-Backbone interact. energy: -1.874 local terms energy: -362.108678 where: bonds (distance) C4'-P energy: -64.821 bonds (distance) P-C4' energy: -67.490 flat angles C4'-P-C4' energy: -88.632 flat angles P-C4'-P energy: -56.011 tors. eta vs tors. theta energy: -85.154 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: 9 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1155.248560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.248560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.248560 (E_RNA) where: Base-Base interactions energy: -772.702 where: short stacking energy: -367.878 Base-Backbone interact. energy: -0.220 local terms energy: -382.326413 where: bonds (distance) C4'-P energy: -75.020 bonds (distance) P-C4' energy: -80.407 flat angles C4'-P-C4' energy: -82.292 flat angles P-C4'-P energy: -56.743 tors. eta vs tors. theta energy: -87.864 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: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1069.172902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.172902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.172902 (E_RNA) where: Base-Base interactions energy: -724.682 where: short stacking energy: -334.462 Base-Backbone interact. energy: -0.968 local terms energy: -343.523264 where: bonds (distance) C4'-P energy: -59.739 bonds (distance) P-C4' energy: -70.180 flat angles C4'-P-C4' energy: -83.628 flat angles P-C4'-P energy: -42.538 tors. eta vs tors. theta energy: -87.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -948.295575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.295575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.295575 (E_RNA) where: Base-Base interactions energy: -617.785 where: short stacking energy: -301.709 Base-Backbone interact. energy: 2.934 local terms energy: -333.444736 where: bonds (distance) C4'-P energy: -68.956 bonds (distance) P-C4' energy: -74.713 flat angles C4'-P-C4' energy: -70.489 flat angles P-C4'-P energy: -40.369 tors. eta vs tors. theta energy: -78.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -968.510150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.510150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.510150 (E_RNA) where: Base-Base interactions energy: -635.749 where: short stacking energy: -257.918 Base-Backbone interact. energy: -0.015 local terms energy: -332.746315 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -67.437 flat angles C4'-P-C4' energy: -79.273 flat angles P-C4'-P energy: -62.286 tors. eta vs tors. theta energy: -52.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -831.719215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.719215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.719215 (E_RNA) where: Base-Base interactions energy: -513.508 where: short stacking energy: -231.430 Base-Backbone interact. energy: 3.346 local terms energy: -321.557247 where: bonds (distance) C4'-P energy: -76.985 bonds (distance) P-C4' energy: -77.867 flat angles C4'-P-C4' energy: -78.748 flat angles P-C4'-P energy: -42.749 tors. eta vs tors. theta energy: -45.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -604.537202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.537202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.537202 (E_RNA) where: Base-Base interactions energy: -344.118 where: short stacking energy: -170.324 Base-Backbone interact. energy: 6.164 local terms energy: -266.583102 where: bonds (distance) C4'-P energy: -66.281 bonds (distance) P-C4' energy: -72.619 flat angles C4'-P-C4' energy: -63.729 flat angles P-C4'-P energy: -41.618 tors. eta vs tors. theta energy: -22.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -373.012600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.012600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.012600 (E_RNA) where: Base-Base interactions energy: -139.102 where: short stacking energy: -123.747 Base-Backbone interact. energy: -0.251 local terms energy: -233.660189 where: bonds (distance) C4'-P energy: -68.204 bonds (distance) P-C4' energy: -68.734 flat angles C4'-P-C4' energy: -56.257 flat angles P-C4'-P energy: -31.560 tors. eta vs tors. theta energy: -8.906 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: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1381.794736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.794736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.794736 (E_RNA) where: Base-Base interactions energy: -952.480 where: short stacking energy: -414.958 Base-Backbone interact. energy: -2.045 local terms energy: -427.269798 where: bonds (distance) C4'-P energy: -82.777 bonds (distance) P-C4' energy: -79.701 flat angles C4'-P-C4' energy: -80.027 flat angles P-C4'-P energy: -61.310 tors. eta vs tors. theta energy: -123.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1273.367567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.367567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.367567 (E_RNA) where: Base-Base interactions energy: -845.424 where: short stacking energy: -391.848 Base-Backbone interact. energy: -1.000 local terms energy: -426.943270 where: bonds (distance) C4'-P energy: -85.946 bonds (distance) P-C4' energy: -86.848 flat angles C4'-P-C4' energy: -96.483 flat angles P-C4'-P energy: -54.054 tors. eta vs tors. theta energy: -103.612 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: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1183.013707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.013707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.013707 (E_RNA) where: Base-Base interactions energy: -799.884 where: short stacking energy: -332.380 Base-Backbone interact. energy: 0.283 local terms energy: -383.412967 where: bonds (distance) C4'-P energy: -78.610 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -80.966 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: -83.212 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: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1152.872174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.872174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.872174 (E_RNA) where: Base-Base interactions energy: -778.131 where: short stacking energy: -361.238 Base-Backbone interact. energy: -1.186 local terms energy: -373.554787 where: bonds (distance) C4'-P energy: -71.102 bonds (distance) P-C4' energy: -78.299 flat angles C4'-P-C4' energy: -83.514 flat angles P-C4'-P energy: -55.102 tors. eta vs tors. theta energy: -85.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1106.812212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.812212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.812212 (E_RNA) where: Base-Base interactions energy: -741.326 where: short stacking energy: -336.410 Base-Backbone interact. energy: 0.557 local terms energy: -366.043015 where: bonds (distance) C4'-P energy: -80.206 bonds (distance) P-C4' energy: -81.409 flat angles C4'-P-C4' energy: -62.079 flat angles P-C4'-P energy: -58.099 tors. eta vs tors. theta energy: -84.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1013.714129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.714129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.714129 (E_RNA) where: Base-Base interactions energy: -643.574 where: short stacking energy: -293.305 Base-Backbone interact. energy: 1.409 local terms energy: -371.549498 where: bonds (distance) C4'-P energy: -78.541 bonds (distance) P-C4' energy: -79.680 flat angles C4'-P-C4' energy: -93.138 flat angles P-C4'-P energy: -58.277 tors. eta vs tors. theta energy: -61.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -893.576867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.576867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.576867 (E_RNA) where: Base-Base interactions energy: -574.889 where: short stacking energy: -272.156 Base-Backbone interact. energy: 3.725 local terms energy: -322.413293 where: bonds (distance) C4'-P energy: -73.482 bonds (distance) P-C4' energy: -69.379 flat angles C4'-P-C4' energy: -70.010 flat angles P-C4'-P energy: -47.019 tors. eta vs tors. theta energy: -62.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -846.518793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.518793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.518793 (E_RNA) where: Base-Base interactions energy: -563.692 where: short stacking energy: -254.354 Base-Backbone interact. energy: -0.948 local terms energy: -281.878627 where: bonds (distance) C4'-P energy: -59.502 bonds (distance) P-C4' energy: -88.957 flat angles C4'-P-C4' energy: -42.386 flat angles P-C4'-P energy: -46.633 tors. eta vs tors. theta energy: -44.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -567.511861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.511861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.511861 (E_RNA) where: Base-Base interactions energy: -310.158 where: short stacking energy: -163.157 Base-Backbone interact. energy: 0.421 local terms energy: -257.775705 where: bonds (distance) C4'-P energy: -62.624 bonds (distance) P-C4' energy: -71.550 flat angles C4'-P-C4' energy: -61.716 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: -18.257 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: 6 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -345.211779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.211779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.211779 (E_RNA) where: Base-Base interactions energy: -142.684 where: short stacking energy: -96.914 Base-Backbone interact. energy: -0.029 local terms energy: -202.499329 where: bonds (distance) C4'-P energy: -69.910 bonds (distance) P-C4' energy: -77.384 flat angles C4'-P-C4' energy: -53.150 flat angles P-C4'-P energy: -19.528 tors. eta vs tors. theta energy: 17.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1394.729306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.729306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.729306 (E_RNA) where: Base-Base interactions energy: -928.618 where: short stacking energy: -428.829 Base-Backbone interact. energy: -1.040 local terms energy: -465.071134 where: bonds (distance) C4'-P energy: -85.067 bonds (distance) P-C4' energy: -91.266 flat angles C4'-P-C4' energy: -94.345 flat angles P-C4'-P energy: -69.878 tors. eta vs tors. theta energy: -124.515 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: 2, replica: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1224.746430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.746430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.746430 (E_RNA) where: Base-Base interactions energy: -801.932 where: short stacking energy: -360.613 Base-Backbone interact. energy: 1.248 local terms energy: -424.062659 where: bonds (distance) C4'-P energy: -83.899 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -93.148 flat angles P-C4'-P energy: -55.603 tors. eta vs tors. theta energy: -103.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1204.762284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.762284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.762284 (E_RNA) where: Base-Base interactions energy: -812.787 where: short stacking energy: -364.466 Base-Backbone interact. energy: -0.511 local terms energy: -391.464408 where: bonds (distance) C4'-P energy: -75.594 bonds (distance) P-C4' energy: -79.898 flat angles C4'-P-C4' energy: -81.647 flat angles P-C4'-P energy: -55.740 tors. eta vs tors. theta energy: -98.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1164.283662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.283662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.283662 (E_RNA) where: Base-Base interactions energy: -808.943 where: short stacking energy: -327.778 Base-Backbone interact. energy: -3.540 local terms energy: -351.801023 where: bonds (distance) C4'-P energy: -67.522 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -80.724 flat angles P-C4'-P energy: -47.824 tors. eta vs tors. theta energy: -81.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1111.777018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.777018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.777018 (E_RNA) where: Base-Base interactions energy: -745.503 where: short stacking energy: -319.590 Base-Backbone interact. energy: -1.116 local terms energy: -365.157237 where: bonds (distance) C4'-P energy: -80.364 bonds (distance) P-C4' energy: -65.281 flat angles C4'-P-C4' energy: -79.962 flat angles P-C4'-P energy: -61.982 tors. eta vs tors. theta energy: -77.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1018.380980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.380980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.380980 (E_RNA) where: Base-Base interactions energy: -692.376 where: short stacking energy: -278.816 Base-Backbone interact. energy: 6.368 local terms energy: -332.373450 where: bonds (distance) C4'-P energy: -81.261 bonds (distance) P-C4' energy: -71.165 flat angles C4'-P-C4' energy: -69.548 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -58.893 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: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -836.218691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.218691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.218691 (E_RNA) where: Base-Base interactions energy: -509.072 where: short stacking energy: -252.292 Base-Backbone interact. energy: -0.591 local terms energy: -326.555310 where: bonds (distance) C4'-P energy: -72.676 bonds (distance) P-C4' energy: -87.828 flat angles C4'-P-C4' energy: -70.647 flat angles P-C4'-P energy: -45.339 tors. eta vs tors. theta energy: -50.065 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: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -817.742777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.742777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.742777 (E_RNA) where: Base-Base interactions energy: -506.205 where: short stacking energy: -248.709 Base-Backbone interact. energy: 0.999 local terms energy: -312.537258 where: bonds (distance) C4'-P energy: -73.165 bonds (distance) P-C4' energy: -72.874 flat angles C4'-P-C4' energy: -68.982 flat angles P-C4'-P energy: -49.230 tors. eta vs tors. theta energy: -48.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -556.748515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.748515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.748515 (E_RNA) where: Base-Base interactions energy: -299.904 where: short stacking energy: -176.619 Base-Backbone interact. energy: -1.056 local terms energy: -255.824407 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -77.430 flat angles C4'-P-C4' energy: -66.849 flat angles P-C4'-P energy: -30.014 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: 0.036 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -393.810037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.810037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.810037 (E_RNA) where: Base-Base interactions energy: -174.085 where: short stacking energy: -130.840 Base-Backbone interact. energy: 3.336 local terms energy: -223.061336 where: bonds (distance) C4'-P energy: -59.773 bonds (distance) P-C4' energy: -73.055 flat angles C4'-P-C4' energy: -61.476 flat angles P-C4'-P energy: -29.768 tors. eta vs tors. theta energy: 1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1388.764367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.764367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.764367 (E_RNA) where: Base-Base interactions energy: -944.168 where: short stacking energy: -426.316 Base-Backbone interact. energy: 1.093 local terms energy: -445.689212 where: bonds (distance) C4'-P energy: -83.428 bonds (distance) P-C4' energy: -85.830 flat angles C4'-P-C4' energy: -97.916 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -117.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1262.840564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.840564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.840564 (E_RNA) where: Base-Base interactions energy: -843.803 where: short stacking energy: -373.120 Base-Backbone interact. energy: -2.114 local terms energy: -416.923844 where: bonds (distance) C4'-P energy: -75.040 bonds (distance) P-C4' energy: -81.268 flat angles C4'-P-C4' energy: -102.952 flat angles P-C4'-P energy: -64.771 tors. eta vs tors. theta energy: -92.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1189.077339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.077339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.077339 (E_RNA) where: Base-Base interactions energy: -810.296 where: short stacking energy: -369.647 Base-Backbone interact. energy: 2.393 local terms energy: -381.174821 where: bonds (distance) C4'-P energy: -80.538 bonds (distance) P-C4' energy: -68.897 flat angles C4'-P-C4' energy: -85.475 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -94.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1166.290806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.290806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.290806 (E_RNA) where: Base-Base interactions energy: -803.760 where: short stacking energy: -337.087 Base-Backbone interact. energy: -1.781 local terms energy: -360.750002 where: bonds (distance) C4'-P energy: -73.004 bonds (distance) P-C4' energy: -82.916 flat angles C4'-P-C4' energy: -74.134 flat angles P-C4'-P energy: -44.823 tors. eta vs tors. theta energy: -85.873 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: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1144.778773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.778773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.778773 (E_RNA) where: Base-Base interactions energy: -789.750 where: short stacking energy: -331.877 Base-Backbone interact. energy: 1.387 local terms energy: -356.415406 where: bonds (distance) C4'-P energy: -70.592 bonds (distance) P-C4' energy: -79.853 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -83.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1021.280730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.280730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.280730 (E_RNA) where: Base-Base interactions energy: -692.237 where: short stacking energy: -277.190 Base-Backbone interact. energy: 0.164 local terms energy: -329.207508 where: bonds (distance) C4'-P energy: -69.283 bonds (distance) P-C4' energy: -83.662 flat angles C4'-P-C4' energy: -72.747 flat angles P-C4'-P energy: -45.979 tors. eta vs tors. theta energy: -57.536 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: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -799.860726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.860726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.860726 (E_RNA) where: Base-Base interactions energy: -481.453 where: short stacking energy: -235.717 Base-Backbone interact. energy: -1.880 local terms energy: -316.527962 where: bonds (distance) C4'-P energy: -61.734 bonds (distance) P-C4' energy: -87.512 flat angles C4'-P-C4' energy: -77.301 flat angles P-C4'-P energy: -45.037 tors. eta vs tors. theta energy: -44.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -833.984984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.984984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.984984 (E_RNA) where: Base-Base interactions energy: -529.346 where: short stacking energy: -231.575 Base-Backbone interact. energy: -1.647 local terms energy: -302.991308 where: bonds (distance) C4'-P energy: -71.199 bonds (distance) P-C4' energy: -68.310 flat angles C4'-P-C4' energy: -71.744 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: -35.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -545.841316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.841316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.841316 (E_RNA) where: Base-Base interactions energy: -311.147 where: short stacking energy: -162.603 Base-Backbone interact. energy: 4.955 local terms energy: -239.648688 where: bonds (distance) C4'-P energy: -48.731 bonds (distance) P-C4' energy: -80.073 flat angles C4'-P-C4' energy: -63.430 flat angles P-C4'-P energy: -43.525 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -359.673849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.673849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.673849 (E_RNA) where: Base-Base interactions energy: -135.553 where: short stacking energy: -117.582 Base-Backbone interact. energy: -0.755 local terms energy: -223.365809 where: bonds (distance) C4'-P energy: -69.573 bonds (distance) P-C4' energy: -63.642 flat angles C4'-P-C4' energy: -50.932 flat angles P-C4'-P energy: -38.454 tors. eta vs tors. theta energy: -0.766 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: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1338.072889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.072889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.072889 (E_RNA) where: Base-Base interactions energy: -903.778 where: short stacking energy: -400.373 Base-Backbone interact. energy: -0.960 local terms energy: -433.335182 where: bonds (distance) C4'-P energy: -93.077 bonds (distance) P-C4' energy: -79.686 flat angles C4'-P-C4' energy: -87.451 flat angles P-C4'-P energy: -65.458 tors. eta vs tors. theta energy: -107.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1223.167774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.167774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.167774 (E_RNA) where: Base-Base interactions energy: -808.850 where: short stacking energy: -389.197 Base-Backbone interact. energy: -1.177 local terms energy: -413.141413 where: bonds (distance) C4'-P energy: -87.504 bonds (distance) P-C4' energy: -88.838 flat angles C4'-P-C4' energy: -88.396 flat angles P-C4'-P energy: -64.681 tors. eta vs tors. theta energy: -83.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1236.617523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.617523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.617523 (E_RNA) where: Base-Base interactions energy: -834.234 where: short stacking energy: -348.826 Base-Backbone interact. energy: -0.925 local terms energy: -401.458158 where: bonds (distance) C4'-P energy: -88.719 bonds (distance) P-C4' energy: -80.848 flat angles C4'-P-C4' energy: -82.290 flat angles P-C4'-P energy: -54.962 tors. eta vs tors. theta energy: -94.640 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: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1136.982302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.982302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.982302 (E_RNA) where: Base-Base interactions energy: -767.969 where: short stacking energy: -336.798 Base-Backbone interact. energy: -1.551 local terms energy: -367.461749 where: bonds (distance) C4'-P energy: -67.313 bonds (distance) P-C4' energy: -85.145 flat angles C4'-P-C4' energy: -88.583 flat angles P-C4'-P energy: -47.667 tors. eta vs tors. theta energy: -78.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1131.446615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.446615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.446615 (E_RNA) where: Base-Base interactions energy: -777.806 where: short stacking energy: -333.334 Base-Backbone interact. energy: -1.005 local terms energy: -352.634805 where: bonds (distance) C4'-P energy: -68.633 bonds (distance) P-C4' energy: -79.573 flat angles C4'-P-C4' energy: -73.618 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -83.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1036.179563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.179563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.179563 (E_RNA) where: Base-Base interactions energy: -690.428 where: short stacking energy: -296.648 Base-Backbone interact. energy: 0.007 local terms energy: -345.759271 where: bonds (distance) C4'-P energy: -61.928 bonds (distance) P-C4' energy: -79.217 flat angles C4'-P-C4' energy: -72.019 flat angles P-C4'-P energy: -59.906 tors. eta vs tors. theta energy: -72.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -954.829214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.829214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.829214 (E_RNA) where: Base-Base interactions energy: -638.925 where: short stacking energy: -292.319 Base-Backbone interact. energy: -2.367 local terms energy: -313.536814 where: bonds (distance) C4'-P energy: -55.969 bonds (distance) P-C4' energy: -67.819 flat angles C4'-P-C4' energy: -75.830 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -59.578 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: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -725.083563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.083563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.083563 (E_RNA) where: Base-Base interactions energy: -431.920 where: short stacking energy: -213.249 Base-Backbone interact. energy: 0.101 local terms energy: -293.265010 where: bonds (distance) C4'-P energy: -63.316 bonds (distance) P-C4' energy: -71.951 flat angles C4'-P-C4' energy: -72.564 flat angles P-C4'-P energy: -51.330 tors. eta vs tors. theta energy: -34.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -525.938411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.938411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.938411 (E_RNA) where: Base-Base interactions energy: -276.413 where: short stacking energy: -147.484 Base-Backbone interact. energy: -0.219 local terms energy: -249.305901 where: bonds (distance) C4'-P energy: -78.890 bonds (distance) P-C4' energy: -73.600 flat angles C4'-P-C4' energy: -60.613 flat angles P-C4'-P energy: -30.409 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -396.605739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.605739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.605739 (E_RNA) where: Base-Base interactions energy: -158.255 where: short stacking energy: -120.204 Base-Backbone interact. energy: -0.098 local terms energy: -238.253040 where: bonds (distance) C4'-P energy: -72.377 bonds (distance) P-C4' energy: -67.554 flat angles C4'-P-C4' energy: -59.540 flat angles P-C4'-P energy: -40.759 tors. eta vs tors. theta energy: 1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1359.257605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.257605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.257605 (E_RNA) where: Base-Base interactions energy: -916.726 where: short stacking energy: -402.268 Base-Backbone interact. energy: -0.664 local terms energy: -441.867739 where: bonds (distance) C4'-P energy: -77.108 bonds (distance) P-C4' energy: -85.460 flat angles C4'-P-C4' energy: -97.920 flat angles P-C4'-P energy: -62.603 tors. eta vs tors. theta energy: -118.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1242.036233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.036233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.036233 (E_RNA) where: Base-Base interactions energy: -826.646 where: short stacking energy: -359.936 Base-Backbone interact. energy: -2.180 local terms energy: -413.210798 where: bonds (distance) C4'-P energy: -82.133 bonds (distance) P-C4' energy: -84.551 flat angles C4'-P-C4' energy: -88.836 flat angles P-C4'-P energy: -59.392 tors. eta vs tors. theta energy: -98.299 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: 3, replica: 9 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1208.030972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.030972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.030972 (E_RNA) where: Base-Base interactions energy: -804.572 where: short stacking energy: -366.755 Base-Backbone interact. energy: -0.511 local terms energy: -402.948612 where: bonds (distance) C4'-P energy: -80.547 bonds (distance) P-C4' energy: -79.279 flat angles C4'-P-C4' energy: -85.554 flat angles P-C4'-P energy: -62.949 tors. eta vs tors. theta energy: -94.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1149.961317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.961317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.961317 (E_RNA) where: Base-Base interactions energy: -786.460 where: short stacking energy: -351.597 Base-Backbone interact. energy: -0.641 local terms energy: -362.860615 where: bonds (distance) C4'-P energy: -73.304 bonds (distance) P-C4' energy: -79.304 flat angles C4'-P-C4' energy: -75.398 flat angles P-C4'-P energy: -46.062 tors. eta vs tors. theta energy: -88.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -995.880493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.880493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.880493 (E_RNA) where: Base-Base interactions energy: -674.663 where: short stacking energy: -300.248 Base-Backbone interact. energy: -2.810 local terms energy: -318.408225 where: bonds (distance) C4'-P energy: -65.980 bonds (distance) P-C4' energy: -77.317 flat angles C4'-P-C4' energy: -79.275 flat angles P-C4'-P energy: -35.968 tors. eta vs tors. theta energy: -59.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1108.020254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.020254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.020254 (E_RNA) where: Base-Base interactions energy: -737.262 where: short stacking energy: -325.539 Base-Backbone interact. energy: -0.640 local terms energy: -370.118289 where: bonds (distance) C4'-P energy: -77.537 bonds (distance) P-C4' energy: -87.838 flat angles C4'-P-C4' energy: -85.578 flat angles P-C4'-P energy: -44.498 tors. eta vs tors. theta energy: -74.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -975.239840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.239840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.239840 (E_RNA) where: Base-Base interactions energy: -647.772 where: short stacking energy: -266.514 Base-Backbone interact. energy: -1.329 local terms energy: -326.139052 where: bonds (distance) C4'-P energy: -72.338 bonds (distance) P-C4' energy: -73.138 flat angles C4'-P-C4' energy: -65.177 flat angles P-C4'-P energy: -47.729 tors. eta vs tors. theta energy: -67.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -671.026229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.026229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.026229 (E_RNA) where: Base-Base interactions energy: -400.513 where: short stacking energy: -175.870 Base-Backbone interact. energy: -1.207 local terms energy: -269.306070 where: bonds (distance) C4'-P energy: -70.486 bonds (distance) P-C4' energy: -67.004 flat angles C4'-P-C4' energy: -68.421 flat angles P-C4'-P energy: -40.152 tors. eta vs tors. theta energy: -23.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -542.486799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.486799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.486799 (E_RNA) where: Base-Base interactions energy: -283.557 where: short stacking energy: -175.588 Base-Backbone interact. energy: 1.865 local terms energy: -260.794283 where: bonds (distance) C4'-P energy: -68.933 bonds (distance) P-C4' energy: -60.829 flat angles C4'-P-C4' energy: -58.807 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -25.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -377.912892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.912892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.912892 (E_RNA) where: Base-Base interactions energy: -185.055 where: short stacking energy: -113.569 Base-Backbone interact. energy: 4.135 local terms energy: -196.993321 where: bonds (distance) C4'-P energy: -64.078 bonds (distance) P-C4' energy: -59.553 flat angles C4'-P-C4' energy: -57.573 flat angles P-C4'-P energy: -20.697 tors. eta vs tors. theta energy: 4.908 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: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1375.045298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.045298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.045298 (E_RNA) where: Base-Base interactions energy: -937.396 where: short stacking energy: -399.828 Base-Backbone interact. energy: -1.983 local terms energy: -435.665998 where: bonds (distance) C4'-P energy: -85.922 bonds (distance) P-C4' energy: -75.346 flat angles C4'-P-C4' energy: -101.634 flat angles P-C4'-P energy: -61.713 tors. eta vs tors. theta energy: -111.050 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: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1260.272404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.272404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.272404 (E_RNA) where: Base-Base interactions energy: -872.639 where: short stacking energy: -370.738 Base-Backbone interact. energy: 0.674 local terms energy: -388.307487 where: bonds (distance) C4'-P energy: -67.812 bonds (distance) P-C4' energy: -85.192 flat angles C4'-P-C4' energy: -90.479 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: -88.749 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: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1215.892254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.892254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.892254 (E_RNA) where: Base-Base interactions energy: -817.483 where: short stacking energy: -364.084 Base-Backbone interact. energy: -1.330 local terms energy: -397.079459 where: bonds (distance) C4'-P energy: -79.046 bonds (distance) P-C4' energy: -80.345 flat angles C4'-P-C4' energy: -84.335 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: -90.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1141.727112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.727112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.727112 (E_RNA) where: Base-Base interactions energy: -764.173 where: short stacking energy: -352.823 Base-Backbone interact. energy: -1.424 local terms energy: -376.129946 where: bonds (distance) C4'-P energy: -74.851 bonds (distance) P-C4' energy: -80.187 flat angles C4'-P-C4' energy: -82.420 flat angles P-C4'-P energy: -54.532 tors. eta vs tors. theta energy: -84.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1104.681407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.681407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.681407 (E_RNA) where: Base-Base interactions energy: -727.700 where: short stacking energy: -319.471 Base-Backbone interact. energy: -1.002 local terms energy: -375.979620 where: bonds (distance) C4'-P energy: -78.831 bonds (distance) P-C4' energy: -86.261 flat angles C4'-P-C4' energy: -82.443 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -71.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -986.279192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.279192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.279192 (E_RNA) where: Base-Base interactions energy: -640.525 where: short stacking energy: -278.603 Base-Backbone interact. energy: -1.768 local terms energy: -343.986122 where: bonds (distance) C4'-P energy: -72.851 bonds (distance) P-C4' energy: -81.871 flat angles C4'-P-C4' energy: -77.229 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -66.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1001.872620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.872620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.872620 (E_RNA) where: Base-Base interactions energy: -655.115 where: short stacking energy: -285.360 Base-Backbone interact. energy: -1.705 local terms energy: -345.052207 where: bonds (distance) C4'-P energy: -73.728 bonds (distance) P-C4' energy: -65.305 flat angles C4'-P-C4' energy: -83.375 flat angles P-C4'-P energy: -51.186 tors. eta vs tors. theta energy: -71.458 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: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -654.389831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.389831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.389831 (E_RNA) where: Base-Base interactions energy: -373.202 where: short stacking energy: -202.458 Base-Backbone interact. energy: 3.770 local terms energy: -284.957291 where: bonds (distance) C4'-P energy: -71.828 bonds (distance) P-C4' energy: -72.812 flat angles C4'-P-C4' energy: -67.727 flat angles P-C4'-P energy: -36.508 tors. eta vs tors. theta energy: -36.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -519.940459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.940459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.940459 (E_RNA) where: Base-Base interactions energy: -282.178 where: short stacking energy: -159.294 Base-Backbone interact. energy: 0.380 local terms energy: -238.142077 where: bonds (distance) C4'-P energy: -76.889 bonds (distance) P-C4' energy: -71.742 flat angles C4'-P-C4' energy: -48.506 flat angles P-C4'-P energy: -38.673 tors. eta vs tors. theta energy: -2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -385.238174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.238174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.238174 (E_RNA) where: Base-Base interactions energy: -175.523 where: short stacking energy: -102.780 Base-Backbone interact. energy: 3.936 local terms energy: -213.650840 where: bonds (distance) C4'-P energy: -62.121 bonds (distance) P-C4' energy: -69.552 flat angles C4'-P-C4' energy: -45.036 flat angles P-C4'-P energy: -39.378 tors. eta vs tors. theta energy: 2.437 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: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1379.025209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.025209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.025209 (E_RNA) where: Base-Base interactions energy: -947.049 where: short stacking energy: -416.114 Base-Backbone interact. energy: 0.642 local terms energy: -432.618135 where: bonds (distance) C4'-P energy: -80.941 bonds (distance) P-C4' energy: -89.243 flat angles C4'-P-C4' energy: -94.758 flat angles P-C4'-P energy: -50.258 tors. eta vs tors. theta energy: -117.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1299.742117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.742117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.742117 (E_RNA) where: Base-Base interactions energy: -884.214 where: short stacking energy: -393.598 Base-Backbone interact. energy: -0.906 local terms energy: -414.621985 where: bonds (distance) C4'-P energy: -80.788 bonds (distance) P-C4' energy: -76.355 flat angles C4'-P-C4' energy: -99.157 flat angles P-C4'-P energy: -59.735 tors. eta vs tors. theta energy: -98.588 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: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1259.844793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.844793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.844793 (E_RNA) where: Base-Base interactions energy: -859.808 where: short stacking energy: -381.613 Base-Backbone interact. energy: 0.849 local terms energy: -400.885080 where: bonds (distance) C4'-P energy: -80.581 bonds (distance) P-C4' energy: -85.112 flat angles C4'-P-C4' energy: -86.188 flat angles P-C4'-P energy: -58.615 tors. eta vs tors. theta energy: -90.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1179.929139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.929139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.929139 (E_RNA) where: Base-Base interactions energy: -819.719 where: short stacking energy: -370.670 Base-Backbone interact. energy: 2.343 local terms energy: -362.553922 where: bonds (distance) C4'-P energy: -57.200 bonds (distance) P-C4' energy: -76.459 flat angles C4'-P-C4' energy: -87.355 flat angles P-C4'-P energy: -44.186 tors. eta vs tors. theta energy: -97.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1107.250898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.250898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.250898 (E_RNA) where: Base-Base interactions energy: -736.518 where: short stacking energy: -334.256 Base-Backbone interact. energy: -3.014 local terms energy: -367.718958 where: bonds (distance) C4'-P energy: -84.616 bonds (distance) P-C4' energy: -69.942 flat angles C4'-P-C4' energy: -88.294 flat angles P-C4'-P energy: -41.840 tors. eta vs tors. theta energy: -83.027 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: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1093.684984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.684984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.684984 (E_RNA) where: Base-Base interactions energy: -737.578 where: short stacking energy: -331.079 Base-Backbone interact. energy: -0.504 local terms energy: -355.602560 where: bonds (distance) C4'-P energy: -62.521 bonds (distance) P-C4' energy: -81.702 flat angles C4'-P-C4' energy: -81.539 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: -81.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -964.269546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.269546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.269546 (E_RNA) where: Base-Base interactions energy: -625.371 where: short stacking energy: -269.089 Base-Backbone interact. energy: -0.074 local terms energy: -338.824685 where: bonds (distance) C4'-P energy: -77.621 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -72.319 flat angles P-C4'-P energy: -42.452 tors. eta vs tors. theta energy: -69.178 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: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -628.762424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.762424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.762424 (E_RNA) where: Base-Base interactions energy: -380.713 where: short stacking energy: -180.777 Base-Backbone interact. energy: -0.620 local terms energy: -247.429981 where: bonds (distance) C4'-P energy: -62.820 bonds (distance) P-C4' energy: -67.181 flat angles C4'-P-C4' energy: -69.606 flat angles P-C4'-P energy: -38.093 tors. eta vs tors. theta energy: -9.730 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: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -570.100341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.100341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.100341 (E_RNA) where: Base-Base interactions energy: -322.443 where: short stacking energy: -177.167 Base-Backbone interact. energy: -1.459 local terms energy: -246.198321 where: bonds (distance) C4'-P energy: -66.292 bonds (distance) P-C4' energy: -71.781 flat angles C4'-P-C4' energy: -64.597 flat angles P-C4'-P energy: -33.992 tors. eta vs tors. theta energy: -9.537 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: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -352.393856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.393856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.393856 (E_RNA) where: Base-Base interactions energy: -139.453 where: short stacking energy: -113.536 Base-Backbone interact. energy: -0.201 local terms energy: -212.740162 where: bonds (distance) C4'-P energy: -57.940 bonds (distance) P-C4' energy: -74.401 flat angles C4'-P-C4' energy: -54.222 flat angles P-C4'-P energy: -31.310 tors. eta vs tors. theta energy: 5.131 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: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1415.670118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.670118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.670118 (E_RNA) where: Base-Base interactions energy: -969.863 where: short stacking energy: -408.858 Base-Backbone interact. energy: -1.878 local terms energy: -443.928841 where: bonds (distance) C4'-P energy: -77.175 bonds (distance) P-C4' energy: -85.930 flat angles C4'-P-C4' energy: -98.281 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -121.780 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: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1264.514622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.514622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.514622 (E_RNA) where: Base-Base interactions energy: -866.513 where: short stacking energy: -399.885 Base-Backbone interact. energy: 0.408 local terms energy: -398.410071 where: bonds (distance) C4'-P energy: -77.090 bonds (distance) P-C4' energy: -84.086 flat angles C4'-P-C4' energy: -83.560 flat angles P-C4'-P energy: -54.364 tors. eta vs tors. theta energy: -99.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1288.610329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.610329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.610329 (E_RNA) where: Base-Base interactions energy: -867.571 where: short stacking energy: -390.617 Base-Backbone interact. energy: -0.550 local terms energy: -420.489014 where: bonds (distance) C4'-P energy: -80.521 bonds (distance) P-C4' energy: -74.053 flat angles C4'-P-C4' energy: -97.707 flat angles P-C4'-P energy: -64.960 tors. eta vs tors. theta energy: -103.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1190.024619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.024619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.024619 (E_RNA) where: Base-Base interactions energy: -780.157 where: short stacking energy: -356.541 Base-Backbone interact. energy: 1.855 local terms energy: -411.722982 where: bonds (distance) C4'-P energy: -86.222 bonds (distance) P-C4' energy: -86.177 flat angles C4'-P-C4' energy: -96.235 flat angles P-C4'-P energy: -59.553 tors. eta vs tors. theta energy: -83.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1151.768731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.768731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.768731 (E_RNA) where: Base-Base interactions energy: -762.304 where: short stacking energy: -329.109 Base-Backbone interact. energy: -1.900 local terms energy: -387.564911 where: bonds (distance) C4'-P energy: -88.684 bonds (distance) P-C4' energy: -76.394 flat angles C4'-P-C4' energy: -75.648 flat angles P-C4'-P energy: -57.337 tors. eta vs tors. theta energy: -89.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1101.166311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.166311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.166311 (E_RNA) where: Base-Base interactions energy: -729.572 where: short stacking energy: -342.419 Base-Backbone interact. energy: 2.534 local terms energy: -374.128527 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -79.634 flat angles C4'-P-C4' energy: -88.693 flat angles P-C4'-P energy: -53.479 tors. eta vs tors. theta energy: -76.979 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: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -950.707640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.707640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.707640 (E_RNA) where: Base-Base interactions energy: -630.687 where: short stacking energy: -294.310 Base-Backbone interact. energy: -0.507 local terms energy: -319.512985 where: bonds (distance) C4'-P energy: -69.546 bonds (distance) P-C4' energy: -79.639 flat angles C4'-P-C4' energy: -83.908 flat angles P-C4'-P energy: -33.350 tors. eta vs tors. theta energy: -53.069 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: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -609.541457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.541457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.541457 (E_RNA) where: Base-Base interactions energy: -329.696 where: short stacking energy: -162.462 Base-Backbone interact. energy: -2.160 local terms energy: -277.685595 where: bonds (distance) C4'-P energy: -61.321 bonds (distance) P-C4' energy: -82.299 flat angles C4'-P-C4' energy: -70.057 flat angles P-C4'-P energy: -40.856 tors. eta vs tors. theta energy: -23.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -570.033055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.033055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.033055 (E_RNA) where: Base-Base interactions energy: -304.926 where: short stacking energy: -166.535 Base-Backbone interact. energy: -2.383 local terms energy: -262.723554 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -79.485 flat angles C4'-P-C4' energy: -66.111 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: -19.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -389.752953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.752953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.752953 (E_RNA) where: Base-Base interactions energy: -175.637 where: short stacking energy: -111.228 Base-Backbone interact. energy: -1.326 local terms energy: -212.790661 where: bonds (distance) C4'-P energy: -66.624 bonds (distance) P-C4' energy: -59.488 flat angles C4'-P-C4' energy: -69.517 flat angles P-C4'-P energy: -27.941 tors. eta vs tors. theta energy: 10.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1369.197746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.197746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.197746 (E_RNA) where: Base-Base interactions energy: -925.323 where: short stacking energy: -420.403 Base-Backbone interact. energy: -0.003 local terms energy: -443.872023 where: bonds (distance) C4'-P energy: -76.414 bonds (distance) P-C4' energy: -96.298 flat angles C4'-P-C4' energy: -97.991 flat angles P-C4'-P energy: -59.203 tors. eta vs tors. theta energy: -113.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1314.550139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.550139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.550139 (E_RNA) where: Base-Base interactions energy: -895.934 where: short stacking energy: -395.808 Base-Backbone interact. energy: 0.175 local terms energy: -418.790839 where: bonds (distance) C4'-P energy: -87.803 bonds (distance) P-C4' energy: -86.316 flat angles C4'-P-C4' energy: -89.220 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -99.874 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: 3, replica: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1252.171389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.171389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.171389 (E_RNA) where: Base-Base interactions energy: -826.534 where: short stacking energy: -367.368 Base-Backbone interact. energy: -1.594 local terms energy: -424.042868 where: bonds (distance) C4'-P energy: -88.257 bonds (distance) P-C4' energy: -77.584 flat angles C4'-P-C4' energy: -93.173 flat angles P-C4'-P energy: -56.827 tors. eta vs tors. theta energy: -108.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1248.831361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.831361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.831361 (E_RNA) where: Base-Base interactions energy: -856.320 where: short stacking energy: -359.142 Base-Backbone interact. energy: -1.489 local terms energy: -391.022768 where: bonds (distance) C4'-P energy: -75.506 bonds (distance) P-C4' energy: -80.095 flat angles C4'-P-C4' energy: -93.288 flat angles P-C4'-P energy: -55.256 tors. eta vs tors. theta energy: -86.878 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: 5, replica: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1166.667483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.667483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.667483 (E_RNA) where: Base-Base interactions energy: -792.020 where: short stacking energy: -328.414 Base-Backbone interact. energy: 1.846 local terms energy: -376.493908 where: bonds (distance) C4'-P energy: -81.819 bonds (distance) P-C4' energy: -81.139 flat angles C4'-P-C4' energy: -75.828 flat angles P-C4'-P energy: -60.558 tors. eta vs tors. theta energy: -77.150 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: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1088.699936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.699936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.699936 (E_RNA) where: Base-Base interactions energy: -760.399 where: short stacking energy: -342.169 Base-Backbone interact. energy: -0.637 local terms energy: -327.663892 where: bonds (distance) C4'-P energy: -71.516 bonds (distance) P-C4' energy: -58.737 flat angles C4'-P-C4' energy: -76.526 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -75.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -944.867193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.867193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.867193 (E_RNA) where: Base-Base interactions energy: -586.628 where: short stacking energy: -269.727 Base-Backbone interact. energy: -1.823 local terms energy: -356.415928 where: bonds (distance) C4'-P energy: -67.728 bonds (distance) P-C4' energy: -76.795 flat angles C4'-P-C4' energy: -96.835 flat angles P-C4'-P energy: -41.652 tors. eta vs tors. theta energy: -73.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -564.978467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.978467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.978467 (E_RNA) where: Base-Base interactions energy: -300.173 where: short stacking energy: -151.647 Base-Backbone interact. energy: -1.310 local terms energy: -263.494706 where: bonds (distance) C4'-P energy: -59.862 bonds (distance) P-C4' energy: -78.661 flat angles C4'-P-C4' energy: -63.894 flat angles P-C4'-P energy: -40.192 tors. eta vs tors. theta energy: -20.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -524.427488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.427488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.427488 (E_RNA) where: Base-Base interactions energy: -268.919 where: short stacking energy: -136.812 Base-Backbone interact. energy: 1.417 local terms energy: -256.925492 where: bonds (distance) C4'-P energy: -66.987 bonds (distance) P-C4' energy: -78.405 flat angles C4'-P-C4' energy: -69.420 flat angles P-C4'-P energy: -34.962 tors. eta vs tors. theta energy: -7.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -436.112787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.112787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.112787 (E_RNA) where: Base-Base interactions energy: -193.099 where: short stacking energy: -111.718 Base-Backbone interact. energy: 1.716 local terms energy: -244.729695 where: bonds (distance) C4'-P energy: -71.069 bonds (distance) P-C4' energy: -71.733 flat angles C4'-P-C4' energy: -65.812 flat angles P-C4'-P energy: -33.608 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1361.069349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.069349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.069349 (E_RNA) where: Base-Base interactions energy: -922.446 where: short stacking energy: -398.891 Base-Backbone interact. energy: -1.108 local terms energy: -437.515204 where: bonds (distance) C4'-P energy: -80.592 bonds (distance) P-C4' energy: -92.182 flat angles C4'-P-C4' energy: -90.333 flat angles P-C4'-P energy: -58.532 tors. eta vs tors. theta energy: -115.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1287.633996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.633996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.633996 (E_RNA) where: Base-Base interactions energy: -860.274 where: short stacking energy: -374.955 Base-Backbone interact. energy: -1.087 local terms energy: -426.272578 where: bonds (distance) C4'-P energy: -81.127 bonds (distance) P-C4' energy: -84.380 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -61.862 tors. eta vs tors. theta energy: -106.352 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: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1244.995681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.995681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.995681 (E_RNA) where: Base-Base interactions energy: -867.473 where: short stacking energy: -356.799 Base-Backbone interact. energy: -1.933 local terms energy: -375.589786 where: bonds (distance) C4'-P energy: -72.023 bonds (distance) P-C4' energy: -81.931 flat angles C4'-P-C4' energy: -79.833 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -77.158 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: 10 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1252.422050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.422050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.422050 (E_RNA) where: Base-Base interactions energy: -871.020 where: short stacking energy: -389.021 Base-Backbone interact. energy: -2.232 local terms energy: -379.169434 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -66.833 flat angles C4'-P-C4' energy: -91.473 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -97.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1221.393867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.393867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.393867 (E_RNA) where: Base-Base interactions energy: -815.706 where: short stacking energy: -358.949 Base-Backbone interact. energy: 0.122 local terms energy: -405.810022 where: bonds (distance) C4'-P energy: -76.901 bonds (distance) P-C4' energy: -82.662 flat angles C4'-P-C4' energy: -89.080 flat angles P-C4'-P energy: -60.309 tors. eta vs tors. theta energy: -96.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1050.709089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.709089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.709089 (E_RNA) where: Base-Base interactions energy: -705.878 where: short stacking energy: -342.628 Base-Backbone interact. energy: 0.199 local terms energy: -345.029781 where: bonds (distance) C4'-P energy: -66.890 bonds (distance) P-C4' energy: -68.745 flat angles C4'-P-C4' energy: -74.225 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -84.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -970.279912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.279912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.279912 (E_RNA) where: Base-Base interactions energy: -609.875 where: short stacking energy: -255.948 Base-Backbone interact. energy: -3.649 local terms energy: -356.756027 where: bonds (distance) C4'-P energy: -73.321 bonds (distance) P-C4' energy: -92.355 flat angles C4'-P-C4' energy: -74.778 flat angles P-C4'-P energy: -55.478 tors. eta vs tors. theta energy: -60.824 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: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -604.763939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.763939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.763939 (E_RNA) where: Base-Base interactions energy: -333.195 where: short stacking energy: -189.761 Base-Backbone interact. energy: -0.742 local terms energy: -270.826897 where: bonds (distance) C4'-P energy: -63.285 bonds (distance) P-C4' energy: -73.930 flat angles C4'-P-C4' energy: -64.557 flat angles P-C4'-P energy: -40.447 tors. eta vs tors. theta energy: -28.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -529.248077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.248077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.248077 (E_RNA) where: Base-Base interactions energy: -274.623 where: short stacking energy: -154.791 Base-Backbone interact. energy: -1.256 local terms energy: -253.368973 where: bonds (distance) C4'-P energy: -66.470 bonds (distance) P-C4' energy: -61.636 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -47.636 tors. eta vs tors. theta energy: -13.035 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: 10, replica: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -464.433203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.433203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.433203 (E_RNA) where: Base-Base interactions energy: -228.973 where: short stacking energy: -138.715 Base-Backbone interact. energy: -0.163 local terms energy: -235.298013 where: bonds (distance) C4'-P energy: -68.589 bonds (distance) P-C4' energy: -77.785 flat angles C4'-P-C4' energy: -41.013 flat angles P-C4'-P energy: -42.570 tors. eta vs tors. theta energy: -5.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1374.208073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.208073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.208073 (E_RNA) where: Base-Base interactions energy: -941.201 where: short stacking energy: -399.127 Base-Backbone interact. energy: -3.779 local terms energy: -429.228244 where: bonds (distance) C4'-P energy: -77.149 bonds (distance) P-C4' energy: -82.564 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -63.780 tors. eta vs tors. theta energy: -114.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1307.401411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.401411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.401411 (E_RNA) where: Base-Base interactions energy: -919.916 where: short stacking energy: -374.930 Base-Backbone interact. energy: 2.991 local terms energy: -390.476383 where: bonds (distance) C4'-P energy: -72.187 bonds (distance) P-C4' energy: -75.615 flat angles C4'-P-C4' energy: -93.856 flat angles P-C4'-P energy: -56.844 tors. eta vs tors. theta energy: -91.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1245.110677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.110677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.110677 (E_RNA) where: Base-Base interactions energy: -829.419 where: short stacking energy: -363.177 Base-Backbone interact. energy: -2.791 local terms energy: -412.900232 where: bonds (distance) C4'-P energy: -87.400 bonds (distance) P-C4' energy: -73.948 flat angles C4'-P-C4' energy: -88.911 flat angles P-C4'-P energy: -57.898 tors. eta vs tors. theta energy: -104.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1220.096565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.096565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.096565 (E_RNA) where: Base-Base interactions energy: -838.315 where: short stacking energy: -372.694 Base-Backbone interact. energy: -1.077 local terms energy: -380.704462 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -80.338 flat angles C4'-P-C4' energy: -86.128 flat angles P-C4'-P energy: -57.648 tors. eta vs tors. theta energy: -86.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1209.146577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.146577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.146577 (E_RNA) where: Base-Base interactions energy: -825.682 where: short stacking energy: -359.794 Base-Backbone interact. energy: -1.464 local terms energy: -382.000708 where: bonds (distance) C4'-P energy: -51.422 bonds (distance) P-C4' energy: -74.675 flat angles C4'-P-C4' energy: -91.696 flat angles P-C4'-P energy: -59.994 tors. eta vs tors. theta energy: -104.213 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: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1046.980080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.980080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.980080 (E_RNA) where: Base-Base interactions energy: -701.843 where: short stacking energy: -305.324 Base-Backbone interact. energy: -1.015 local terms energy: -344.121814 where: bonds (distance) C4'-P energy: -75.869 bonds (distance) P-C4' energy: -66.720 flat angles C4'-P-C4' energy: -82.622 flat angles P-C4'-P energy: -47.069 tors. eta vs tors. theta energy: -71.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -988.260884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.260884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.260884 (E_RNA) where: Base-Base interactions energy: -666.987 where: short stacking energy: -301.907 Base-Backbone interact. energy: -2.070 local terms energy: -319.204321 where: bonds (distance) C4'-P energy: -54.621 bonds (distance) P-C4' energy: -78.456 flat angles C4'-P-C4' energy: -74.026 flat angles P-C4'-P energy: -39.033 tors. eta vs tors. theta energy: -73.068 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: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -592.455720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.455720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.455720 (E_RNA) where: Base-Base interactions energy: -319.257 where: short stacking energy: -161.884 Base-Backbone interact. energy: 7.166 local terms energy: -280.364891 where: bonds (distance) C4'-P energy: -74.492 bonds (distance) P-C4' energy: -80.912 flat angles C4'-P-C4' energy: -67.659 flat angles P-C4'-P energy: -35.018 tors. eta vs tors. theta energy: -22.283 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: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -612.020059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.020059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.020059 (E_RNA) where: Base-Base interactions energy: -342.879 where: short stacking energy: -180.434 Base-Backbone interact. energy: -0.202 local terms energy: -268.938779 where: bonds (distance) C4'-P energy: -55.479 bonds (distance) P-C4' energy: -74.814 flat angles C4'-P-C4' energy: -61.729 flat angles P-C4'-P energy: -45.420 tors. eta vs tors. theta energy: -31.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -444.803421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.803421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.803421 (E_RNA) where: Base-Base interactions energy: -219.660 where: short stacking energy: -115.049 Base-Backbone interact. energy: -1.957 local terms energy: -223.187263 where: bonds (distance) C4'-P energy: -71.097 bonds (distance) P-C4' energy: -67.739 flat angles C4'-P-C4' energy: -65.787 flat angles P-C4'-P energy: -36.682 tors. eta vs tors. theta energy: 18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1355.214336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.214336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.214336 (E_RNA) where: Base-Base interactions energy: -917.888 where: short stacking energy: -401.081 Base-Backbone interact. energy: -1.266 local terms energy: -436.060392 where: bonds (distance) C4'-P energy: -75.308 bonds (distance) P-C4' energy: -79.248 flat angles C4'-P-C4' energy: -94.731 flat angles P-C4'-P energy: -69.961 tors. eta vs tors. theta energy: -116.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1345.571067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.571067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.571067 (E_RNA) where: Base-Base interactions energy: -942.583 where: short stacking energy: -380.657 Base-Backbone interact. energy: -2.574 local terms energy: -400.414214 where: bonds (distance) C4'-P energy: -68.369 bonds (distance) P-C4' energy: -92.483 flat angles C4'-P-C4' energy: -91.866 flat angles P-C4'-P energy: -58.716 tors. eta vs tors. theta energy: -88.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1263.444602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.444602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.444602 (E_RNA) where: Base-Base interactions energy: -886.172 where: short stacking energy: -379.634 Base-Backbone interact. energy: -0.081 local terms energy: -377.191327 where: bonds (distance) C4'-P energy: -79.684 bonds (distance) P-C4' energy: -76.544 flat angles C4'-P-C4' energy: -82.827 flat angles P-C4'-P energy: -49.528 tors. eta vs tors. theta energy: -88.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1211.824487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.824487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.824487 (E_RNA) where: Base-Base interactions energy: -831.251 where: short stacking energy: -376.496 Base-Backbone interact. energy: -2.085 local terms energy: -378.488285 where: bonds (distance) C4'-P energy: -77.447 bonds (distance) P-C4' energy: -66.213 flat angles C4'-P-C4' energy: -76.167 flat angles P-C4'-P energy: -58.631 tors. eta vs tors. theta energy: -100.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1194.461670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.461670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.461670 (E_RNA) where: Base-Base interactions energy: -809.874 where: short stacking energy: -372.790 Base-Backbone interact. energy: 1.412 local terms energy: -386.000200 where: bonds (distance) C4'-P energy: -67.331 bonds (distance) P-C4' energy: -86.453 flat angles C4'-P-C4' energy: -88.567 flat angles P-C4'-P energy: -48.581 tors. eta vs tors. theta energy: -95.068 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: 5 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1036.640411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.640411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.640411 (E_RNA) where: Base-Base interactions energy: -681.213 where: short stacking energy: -304.015 Base-Backbone interact. energy: 1.580 local terms energy: -357.006817 where: bonds (distance) C4'-P energy: -76.773 bonds (distance) P-C4' energy: -75.491 flat angles C4'-P-C4' energy: -80.277 flat angles P-C4'-P energy: -54.012 tors. eta vs tors. theta energy: -70.455 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: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -979.641975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.641975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.641975 (E_RNA) where: Base-Base interactions energy: -650.497 where: short stacking energy: -301.583 Base-Backbone interact. energy: 1.030 local terms energy: -330.175215 where: bonds (distance) C4'-P energy: -63.526 bonds (distance) P-C4' energy: -87.229 flat angles C4'-P-C4' energy: -74.687 flat angles P-C4'-P energy: -38.965 tors. eta vs tors. theta energy: -65.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -580.425727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.425727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.425727 (E_RNA) where: Base-Base interactions energy: -298.212 where: short stacking energy: -151.956 Base-Backbone interact. energy: -0.857 local terms energy: -281.357216 where: bonds (distance) C4'-P energy: -82.747 bonds (distance) P-C4' energy: -82.360 flat angles C4'-P-C4' energy: -72.165 flat angles P-C4'-P energy: -29.249 tors. eta vs tors. theta energy: -14.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -631.557075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.557075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.557075 (E_RNA) where: Base-Base interactions energy: -376.369 where: short stacking energy: -180.907 Base-Backbone interact. energy: -1.133 local terms energy: -254.054523 where: bonds (distance) C4'-P energy: -69.903 bonds (distance) P-C4' energy: -72.022 flat angles C4'-P-C4' energy: -50.340 flat angles P-C4'-P energy: -45.702 tors. eta vs tors. theta energy: -16.087 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: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -506.340473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.340473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.340473 (E_RNA) where: Base-Base interactions energy: -263.072 where: short stacking energy: -142.363 Base-Backbone interact. energy: -0.556 local terms energy: -242.712570 where: bonds (distance) C4'-P energy: -66.540 bonds (distance) P-C4' energy: -67.870 flat angles C4'-P-C4' energy: -73.714 flat angles P-C4'-P energy: -33.777 tors. eta vs tors. theta energy: -0.811 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: 59 Temperature: 0.900000 Total energy: -1376.286410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.286410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.286410 (E_RNA) where: Base-Base interactions energy: -942.571 where: short stacking energy: -398.269 Base-Backbone interact. energy: 0.538 local terms energy: -434.253226 where: bonds (distance) C4'-P energy: -88.009 bonds (distance) P-C4' energy: -85.505 flat angles C4'-P-C4' energy: -89.278 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -108.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1344.996833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.996833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.996833 (E_RNA) where: Base-Base interactions energy: -922.720 where: short stacking energy: -366.206 Base-Backbone interact. energy: -0.702 local terms energy: -421.575302 where: bonds (distance) C4'-P energy: -95.202 bonds (distance) P-C4' energy: -87.096 flat angles C4'-P-C4' energy: -89.698 flat angles P-C4'-P energy: -61.953 tors. eta vs tors. theta energy: -87.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1298.403238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.403238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.403238 (E_RNA) where: Base-Base interactions energy: -891.737 where: short stacking energy: -383.585 Base-Backbone interact. energy: 1.248 local terms energy: -407.914033 where: bonds (distance) C4'-P energy: -78.462 bonds (distance) P-C4' energy: -74.534 flat angles C4'-P-C4' energy: -97.104 flat angles P-C4'-P energy: -57.862 tors. eta vs tors. theta energy: -99.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1255.290610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.290610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.290610 (E_RNA) where: Base-Base interactions energy: -868.062 where: short stacking energy: -381.549 Base-Backbone interact. energy: 0.907 local terms energy: -388.135303 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -81.020 flat angles C4'-P-C4' energy: -91.014 flat angles P-C4'-P energy: -60.499 tors. eta vs tors. theta energy: -92.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1137.867787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.867787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.867787 (E_RNA) where: Base-Base interactions energy: -757.598 where: short stacking energy: -313.536 Base-Backbone interact. energy: -2.592 local terms energy: -377.678057 where: bonds (distance) C4'-P energy: -76.280 bonds (distance) P-C4' energy: -88.439 flat angles C4'-P-C4' energy: -77.480 flat angles P-C4'-P energy: -51.090 tors. eta vs tors. theta energy: -84.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1024.668694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.668694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.668694 (E_RNA) where: Base-Base interactions energy: -686.015 where: short stacking energy: -311.658 Base-Backbone interact. energy: -0.320 local terms energy: -338.334147 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -73.213 flat angles C4'-P-C4' energy: -77.930 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -71.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -893.067718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.067718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.067718 (E_RNA) where: Base-Base interactions energy: -575.450 where: short stacking energy: -259.888 Base-Backbone interact. energy: 2.159 local terms energy: -319.777447 where: bonds (distance) C4'-P energy: -62.182 bonds (distance) P-C4' energy: -72.503 flat angles C4'-P-C4' energy: -73.218 flat angles P-C4'-P energy: -53.020 tors. eta vs tors. theta energy: -58.853 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: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -590.938994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.938994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.938994 (E_RNA) where: Base-Base interactions energy: -304.551 where: short stacking energy: -157.369 Base-Backbone interact. energy: -1.520 local terms energy: -284.868182 where: bonds (distance) C4'-P energy: -82.033 bonds (distance) P-C4' energy: -82.952 flat angles C4'-P-C4' energy: -60.764 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: -18.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -549.375803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.375803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.375803 (E_RNA) where: Base-Base interactions energy: -289.928 where: short stacking energy: -156.916 Base-Backbone interact. energy: -1.630 local terms energy: -257.818261 where: bonds (distance) C4'-P energy: -87.732 bonds (distance) P-C4' energy: -74.479 flat angles C4'-P-C4' energy: -59.218 flat angles P-C4'-P energy: -28.354 tors. eta vs tors. theta energy: -8.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -471.227328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.227328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.227328 (E_RNA) where: Base-Base interactions energy: -227.639 where: short stacking energy: -117.959 Base-Backbone interact. energy: -3.094 local terms energy: -240.494285 where: bonds (distance) C4'-P energy: -73.439 bonds (distance) P-C4' energy: -70.222 flat angles C4'-P-C4' energy: -64.389 flat angles P-C4'-P energy: -38.648 tors. eta vs tors. theta energy: 6.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1355.662967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.662967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.662967 (E_RNA) where: Base-Base interactions energy: -962.125 where: short stacking energy: -409.318 Base-Backbone interact. energy: -2.312 local terms energy: -391.225740 where: bonds (distance) C4'-P energy: -66.591 bonds (distance) P-C4' energy: -81.239 flat angles C4'-P-C4' energy: -85.883 flat angles P-C4'-P energy: -64.162 tors. eta vs tors. theta energy: -93.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1337.598582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.598582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.598582 (E_RNA) where: Base-Base interactions energy: -894.269 where: short stacking energy: -393.590 Base-Backbone interact. energy: -1.629 local terms energy: -441.700198 where: bonds (distance) C4'-P energy: -86.539 bonds (distance) P-C4' energy: -83.025 flat angles C4'-P-C4' energy: -94.370 flat angles P-C4'-P energy: -62.452 tors. eta vs tors. theta energy: -115.314 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: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1312.029992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.029992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.029992 (E_RNA) where: Base-Base interactions energy: -900.623 where: short stacking energy: -386.942 Base-Backbone interact. energy: -1.537 local terms energy: -409.869753 where: bonds (distance) C4'-P energy: -79.688 bonds (distance) P-C4' energy: -71.312 flat angles C4'-P-C4' energy: -96.701 flat angles P-C4'-P energy: -61.286 tors. eta vs tors. theta energy: -100.882 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: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1266.314498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.314498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.314498 (E_RNA) where: Base-Base interactions energy: -844.013 where: short stacking energy: -382.504 Base-Backbone interact. energy: -1.370 local terms energy: -420.931780 where: bonds (distance) C4'-P energy: -81.335 bonds (distance) P-C4' energy: -76.153 flat angles C4'-P-C4' energy: -96.113 flat angles P-C4'-P energy: -54.859 tors. eta vs tors. theta energy: -112.471 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: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1166.313420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.313420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.313420 (E_RNA) where: Base-Base interactions energy: -796.197 where: short stacking energy: -334.268 Base-Backbone interact. energy: -0.223 local terms energy: -369.893266 where: bonds (distance) C4'-P energy: -65.180 bonds (distance) P-C4' energy: -81.593 flat angles C4'-P-C4' energy: -80.707 flat angles P-C4'-P energy: -57.618 tors. eta vs tors. theta energy: -84.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1034.884240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.884240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.884240 (E_RNA) where: Base-Base interactions energy: -678.022 where: short stacking energy: -308.581 Base-Backbone interact. energy: -4.386 local terms energy: -352.476757 where: bonds (distance) C4'-P energy: -71.313 bonds (distance) P-C4' energy: -73.100 flat angles C4'-P-C4' energy: -83.097 flat angles P-C4'-P energy: -49.107 tors. eta vs tors. theta energy: -75.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -923.207088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.207088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.207088 (E_RNA) where: Base-Base interactions energy: -593.064 where: short stacking energy: -255.755 Base-Backbone interact. energy: -0.579 local terms energy: -329.563897 where: bonds (distance) C4'-P energy: -73.134 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -75.851 flat angles P-C4'-P energy: -53.990 tors. eta vs tors. theta energy: -58.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -600.102753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.102753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.102753 (E_RNA) where: Base-Base interactions energy: -337.153 where: short stacking energy: -192.153 Base-Backbone interact. energy: -0.426 local terms energy: -262.523778 where: bonds (distance) C4'-P energy: -60.289 bonds (distance) P-C4' energy: -72.231 flat angles C4'-P-C4' energy: -71.974 flat angles P-C4'-P energy: -37.272 tors. eta vs tors. theta energy: -20.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -550.761053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.761053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.761053 (E_RNA) where: Base-Base interactions energy: -294.566 where: short stacking energy: -149.662 Base-Backbone interact. energy: 0.120 local terms energy: -256.315561 where: bonds (distance) C4'-P energy: -70.468 bonds (distance) P-C4' energy: -77.729 flat angles C4'-P-C4' energy: -64.438 flat angles P-C4'-P energy: -38.381 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -453.701632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.701632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.701632 (E_RNA) where: Base-Base interactions energy: -222.612 where: short stacking energy: -123.738 Base-Backbone interact. energy: 1.337 local terms energy: -232.427241 where: bonds (distance) C4'-P energy: -62.513 bonds (distance) P-C4' energy: -78.945 flat angles C4'-P-C4' energy: -64.101 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: 10.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1385.817110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.817110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.817110 (E_RNA) where: Base-Base interactions energy: -939.218 where: short stacking energy: -389.298 Base-Backbone interact. energy: -0.600 local terms energy: -445.999698 where: bonds (distance) C4'-P energy: -92.916 bonds (distance) P-C4' energy: -91.716 flat angles C4'-P-C4' energy: -86.896 flat angles P-C4'-P energy: -71.113 tors. eta vs tors. theta energy: -103.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1327.203144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.203144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.203144 (E_RNA) where: Base-Base interactions energy: -899.807 where: short stacking energy: -392.325 Base-Backbone interact. energy: -3.115 local terms energy: -424.281362 where: bonds (distance) C4'-P energy: -85.048 bonds (distance) P-C4' energy: -86.315 flat angles C4'-P-C4' energy: -94.517 flat angles P-C4'-P energy: -48.108 tors. eta vs tors. theta energy: -110.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1295.374302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.374302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.374302 (E_RNA) where: Base-Base interactions energy: -885.836 where: short stacking energy: -387.371 Base-Backbone interact. energy: 0.486 local terms energy: -410.024120 where: bonds (distance) C4'-P energy: -80.694 bonds (distance) P-C4' energy: -91.803 flat angles C4'-P-C4' energy: -91.666 flat angles P-C4'-P energy: -57.936 tors. eta vs tors. theta energy: -87.925 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: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1276.280817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.280817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.280817 (E_RNA) where: Base-Base interactions energy: -886.920 where: short stacking energy: -378.336 Base-Backbone interact. energy: -0.595 local terms energy: -388.765954 where: bonds (distance) C4'-P energy: -71.659 bonds (distance) P-C4' energy: -78.381 flat angles C4'-P-C4' energy: -90.706 flat angles P-C4'-P energy: -48.056 tors. eta vs tors. theta energy: -99.965 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: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1153.854325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.854325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.854325 (E_RNA) where: Base-Base interactions energy: -781.881 where: short stacking energy: -321.474 Base-Backbone interact. energy: 1.701 local terms energy: -373.674402 where: bonds (distance) C4'-P energy: -54.717 bonds (distance) P-C4' energy: -86.397 flat angles C4'-P-C4' energy: -77.479 flat angles P-C4'-P energy: -66.700 tors. eta vs tors. theta energy: -88.381 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: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1017.725004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.725004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.725004 (E_RNA) where: Base-Base interactions energy: -657.142 where: short stacking energy: -294.944 Base-Backbone interact. energy: -2.465 local terms energy: -358.118230 where: bonds (distance) C4'-P energy: -71.700 bonds (distance) P-C4' energy: -84.486 flat angles C4'-P-C4' energy: -82.022 flat angles P-C4'-P energy: -46.223 tors. eta vs tors. theta energy: -73.687 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: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -950.140484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.140484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.140484 (E_RNA) where: Base-Base interactions energy: -593.887 where: short stacking energy: -277.729 Base-Backbone interact. energy: -0.469 local terms energy: -355.784442 where: bonds (distance) C4'-P energy: -82.252 bonds (distance) P-C4' energy: -85.565 flat angles C4'-P-C4' energy: -74.403 flat angles P-C4'-P energy: -49.550 tors. eta vs tors. theta energy: -64.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -692.721872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.721872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.721872 (E_RNA) where: Base-Base interactions energy: -398.335 where: short stacking energy: -217.299 Base-Backbone interact. energy: -0.615 local terms energy: -293.772649 where: bonds (distance) C4'-P energy: -73.264 bonds (distance) P-C4' energy: -67.989 flat angles C4'-P-C4' energy: -62.574 flat angles P-C4'-P energy: -50.184 tors. eta vs tors. theta energy: -39.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -536.469157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.469157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.469157 (E_RNA) where: Base-Base interactions energy: -296.952 where: short stacking energy: -154.566 Base-Backbone interact. energy: -0.152 local terms energy: -239.365657 where: bonds (distance) C4'-P energy: -77.581 bonds (distance) P-C4' energy: -75.598 flat angles C4'-P-C4' energy: -49.603 flat angles P-C4'-P energy: -26.496 tors. eta vs tors. theta energy: -10.087 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: 6 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -464.951897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.951897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.951897 (E_RNA) where: Base-Base interactions energy: -234.387 where: short stacking energy: -123.640 Base-Backbone interact. energy: 5.056 local terms energy: -235.621380 where: bonds (distance) C4'-P energy: -78.217 bonds (distance) P-C4' energy: -62.473 flat angles C4'-P-C4' energy: -57.105 flat angles P-C4'-P energy: -31.332 tors. eta vs tors. theta energy: -6.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1413.282870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.282870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.282870 (E_RNA) where: Base-Base interactions energy: -986.769 where: short stacking energy: -397.073 Base-Backbone interact. energy: -2.724 local terms energy: -423.790066 where: bonds (distance) C4'-P energy: -79.899 bonds (distance) P-C4' energy: -87.548 flat angles C4'-P-C4' energy: -95.140 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -100.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1330.194345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.194345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.194345 (E_RNA) where: Base-Base interactions energy: -920.440 where: short stacking energy: -415.567 Base-Backbone interact. energy: -5.546 local terms energy: -404.208705 where: bonds (distance) C4'-P energy: -72.718 bonds (distance) P-C4' energy: -80.800 flat angles C4'-P-C4' energy: -83.744 flat angles P-C4'-P energy: -53.358 tors. eta vs tors. theta energy: -113.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1316.570582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.570582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.570582 (E_RNA) where: Base-Base interactions energy: -886.346 where: short stacking energy: -391.109 Base-Backbone interact. energy: 4.161 local terms energy: -434.385219 where: bonds (distance) C4'-P energy: -76.827 bonds (distance) P-C4' energy: -86.569 flat angles C4'-P-C4' energy: -96.022 flat angles P-C4'-P energy: -66.394 tors. eta vs tors. theta energy: -108.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1254.351769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.351769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.351769 (E_RNA) where: Base-Base interactions energy: -850.662 where: short stacking energy: -358.519 Base-Backbone interact. energy: -2.290 local terms energy: -401.400061 where: bonds (distance) C4'-P energy: -86.429 bonds (distance) P-C4' energy: -83.143 flat angles C4'-P-C4' energy: -82.164 flat angles P-C4'-P energy: -55.215 tors. eta vs tors. theta energy: -94.449 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: 62 Temperature: 1.100000 Total energy: -1147.434852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.434852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.434852 (E_RNA) where: Base-Base interactions energy: -768.980 where: short stacking energy: -338.077 Base-Backbone interact. energy: -2.234 local terms energy: -376.221034 where: bonds (distance) C4'-P energy: -70.992 bonds (distance) P-C4' energy: -75.487 flat angles C4'-P-C4' energy: -84.316 flat angles P-C4'-P energy: -65.416 tors. eta vs tors. theta energy: -80.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1050.597383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.597383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.597383 (E_RNA) where: Base-Base interactions energy: -711.963 where: short stacking energy: -315.894 Base-Backbone interact. energy: 0.004 local terms energy: -338.638364 where: bonds (distance) C4'-P energy: -67.859 bonds (distance) P-C4' energy: -79.327 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -52.440 tors. eta vs tors. theta energy: -66.532 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: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -958.480711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.480711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.480711 (E_RNA) where: Base-Base interactions energy: -624.848 where: short stacking energy: -293.288 Base-Backbone interact. energy: 3.203 local terms energy: -336.834865 where: bonds (distance) C4'-P energy: -74.925 bonds (distance) P-C4' energy: -64.234 flat angles C4'-P-C4' energy: -80.520 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -71.448 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: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -629.914537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.914537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.914537 (E_RNA) where: Base-Base interactions energy: -352.074 where: short stacking energy: -186.852 Base-Backbone interact. energy: 5.889 local terms energy: -283.730232 where: bonds (distance) C4'-P energy: -72.864 bonds (distance) P-C4' energy: -69.382 flat angles C4'-P-C4' energy: -73.743 flat angles P-C4'-P energy: -48.492 tors. eta vs tors. theta energy: -19.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -480.362405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.362405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.362405 (E_RNA) where: Base-Base interactions energy: -236.591 where: short stacking energy: -149.005 Base-Backbone interact. energy: -0.533 local terms energy: -243.238978 where: bonds (distance) C4'-P energy: -70.133 bonds (distance) P-C4' energy: -62.407 flat angles C4'-P-C4' energy: -66.459 flat angles P-C4'-P energy: -42.406 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -548.388291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.388291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.388291 (E_RNA) where: Base-Base interactions energy: -323.630 where: short stacking energy: -159.649 Base-Backbone interact. energy: 4.272 local terms energy: -229.030887 where: bonds (distance) C4'-P energy: -70.172 bonds (distance) P-C4' energy: -66.060 flat angles C4'-P-C4' energy: -48.656 flat angles P-C4'-P energy: -30.048 tors. eta vs tors. theta energy: -14.096 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: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1408.663779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.663779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.663779 (E_RNA) where: Base-Base interactions energy: -974.277 where: short stacking energy: -400.152 Base-Backbone interact. energy: 1.262 local terms energy: -435.648105 where: bonds (distance) C4'-P energy: -88.182 bonds (distance) P-C4' energy: -91.688 flat angles C4'-P-C4' energy: -88.341 flat angles P-C4'-P energy: -66.275 tors. eta vs tors. theta energy: -101.162 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: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1338.171017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.171017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.171017 (E_RNA) where: Base-Base interactions energy: -928.341 where: short stacking energy: -386.503 Base-Backbone interact. energy: 1.595 local terms energy: -411.424303 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -79.259 flat angles C4'-P-C4' energy: -91.703 flat angles P-C4'-P energy: -49.231 tors. eta vs tors. theta energy: -109.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1325.803077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.803077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.803077 (E_RNA) where: Base-Base interactions energy: -893.014 where: short stacking energy: -406.969 Base-Backbone interact. energy: 0.250 local terms energy: -433.039363 where: bonds (distance) C4'-P energy: -76.176 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -93.420 flat angles P-C4'-P energy: -69.630 tors. eta vs tors. theta energy: -115.114 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: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1259.222345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.222345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.222345 (E_RNA) where: Base-Base interactions energy: -861.042 where: short stacking energy: -377.523 Base-Backbone interact. energy: -0.259 local terms energy: -397.921914 where: bonds (distance) C4'-P energy: -83.627 bonds (distance) P-C4' energy: -81.123 flat angles C4'-P-C4' energy: -85.741 flat angles P-C4'-P energy: -59.659 tors. eta vs tors. theta energy: -87.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1107.976797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.976797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.976797 (E_RNA) where: Base-Base interactions energy: -749.839 where: short stacking energy: -316.692 Base-Backbone interact. energy: -1.171 local terms energy: -356.966639 where: bonds (distance) C4'-P energy: -68.104 bonds (distance) P-C4' energy: -73.582 flat angles C4'-P-C4' energy: -80.082 flat angles P-C4'-P energy: -54.303 tors. eta vs tors. theta energy: -80.895 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: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -967.797956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.797956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.797956 (E_RNA) where: Base-Base interactions energy: -637.708 where: short stacking energy: -285.033 Base-Backbone interact. energy: -1.458 local terms energy: -328.631919 where: bonds (distance) C4'-P energy: -74.294 bonds (distance) P-C4' energy: -77.125 flat angles C4'-P-C4' energy: -69.097 flat angles P-C4'-P energy: -41.558 tors. eta vs tors. theta energy: -66.558 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: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -957.079314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.079314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.079314 (E_RNA) where: Base-Base interactions energy: -621.581 where: short stacking energy: -283.946 Base-Backbone interact. energy: -2.707 local terms energy: -332.790396 where: bonds (distance) C4'-P energy: -66.183 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -74.139 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -65.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -578.677471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.677471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.677471 (E_RNA) where: Base-Base interactions energy: -335.095 where: short stacking energy: -189.003 Base-Backbone interact. energy: -1.096 local terms energy: -242.487039 where: bonds (distance) C4'-P energy: -42.669 bonds (distance) P-C4' energy: -72.622 flat angles C4'-P-C4' energy: -75.410 flat angles P-C4'-P energy: -27.443 tors. eta vs tors. theta energy: -24.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -494.994780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.994780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.994780 (E_RNA) where: Base-Base interactions energy: -272.386 where: short stacking energy: -148.008 Base-Backbone interact. energy: -2.276 local terms energy: -220.332830 where: bonds (distance) C4'-P energy: -47.652 bonds (distance) P-C4' energy: -71.648 flat angles C4'-P-C4' energy: -51.231 flat angles P-C4'-P energy: -37.535 tors. eta vs tors. theta energy: -12.268 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: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -500.274953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.274953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.274953 (E_RNA) where: Base-Base interactions energy: -253.448 where: short stacking energy: -133.915 Base-Backbone interact. energy: -1.116 local terms energy: -245.710806 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -75.580 flat angles C4'-P-C4' energy: -55.167 flat angles P-C4'-P energy: -43.290 tors. eta vs tors. theta energy: -14.209 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: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1421.461079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.461079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.461079 (E_RNA) where: Base-Base interactions energy: -992.294 where: short stacking energy: -410.308 Base-Backbone interact. energy: 0.240 local terms energy: -429.406577 where: bonds (distance) C4'-P energy: -79.723 bonds (distance) P-C4' energy: -91.654 flat angles C4'-P-C4' energy: -90.251 flat angles P-C4'-P energy: -62.290 tors. eta vs tors. theta energy: -105.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1339.681326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.681326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.681326 (E_RNA) where: Base-Base interactions energy: -910.803 where: short stacking energy: -390.974 Base-Backbone interact. energy: 2.128 local terms energy: -431.006608 where: bonds (distance) C4'-P energy: -87.240 bonds (distance) P-C4' energy: -87.087 flat angles C4'-P-C4' energy: -94.324 flat angles P-C4'-P energy: -57.373 tors. eta vs tors. theta energy: -104.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1316.376050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.376050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.376050 (E_RNA) where: Base-Base interactions energy: -899.976 where: short stacking energy: -393.598 Base-Backbone interact. energy: -1.077 local terms energy: -415.322750 where: bonds (distance) C4'-P energy: -74.903 bonds (distance) P-C4' energy: -79.548 flat angles C4'-P-C4' energy: -95.917 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -106.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1237.450009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.450009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.450009 (E_RNA) where: Base-Base interactions energy: -866.216 where: short stacking energy: -367.649 Base-Backbone interact. energy: -0.370 local terms energy: -370.864004 where: bonds (distance) C4'-P energy: -75.094 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -82.653 flat angles P-C4'-P energy: -47.489 tors. eta vs tors. theta energy: -87.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1112.621046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.621046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.621046 (E_RNA) where: Base-Base interactions energy: -747.720 where: short stacking energy: -324.332 Base-Backbone interact. energy: -3.344 local terms energy: -361.557305 where: bonds (distance) C4'-P energy: -65.223 bonds (distance) P-C4' energy: -75.350 flat angles C4'-P-C4' energy: -90.042 flat angles P-C4'-P energy: -56.826 tors. eta vs tors. theta energy: -74.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -907.855287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.855287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.855287 (E_RNA) where: Base-Base interactions energy: -587.475 where: short stacking energy: -268.895 Base-Backbone interact. energy: 3.000 local terms energy: -323.379911 where: bonds (distance) C4'-P energy: -69.587 bonds (distance) P-C4' energy: -77.898 flat angles C4'-P-C4' energy: -71.675 flat angles P-C4'-P energy: -47.323 tors. eta vs tors. theta energy: -56.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1018.495852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.495852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.495852 (E_RNA) where: Base-Base interactions energy: -665.055 where: short stacking energy: -301.092 Base-Backbone interact. energy: -1.183 local terms energy: -352.257804 where: bonds (distance) C4'-P energy: -77.893 bonds (distance) P-C4' energy: -72.230 flat angles C4'-P-C4' energy: -78.934 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: -75.480 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: 8, replica: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -587.308427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.308427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.308427 (E_RNA) where: Base-Base interactions energy: -337.393 where: short stacking energy: -149.205 Base-Backbone interact. energy: 3.612 local terms energy: -253.527152 where: bonds (distance) C4'-P energy: -69.158 bonds (distance) P-C4' energy: -72.571 flat angles C4'-P-C4' energy: -64.697 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -515.483428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.483428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.483428 (E_RNA) where: Base-Base interactions energy: -256.285 where: short stacking energy: -134.534 Base-Backbone interact. energy: -1.988 local terms energy: -257.210095 where: bonds (distance) C4'-P energy: -74.270 bonds (distance) P-C4' energy: -70.501 flat angles C4'-P-C4' energy: -71.989 flat angles P-C4'-P energy: -33.305 tors. eta vs tors. theta energy: -7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -473.189345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.189345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.189345 (E_RNA) where: Base-Base interactions energy: -243.348 where: short stacking energy: -138.172 Base-Backbone interact. energy: 4.310 local terms energy: -234.151429 where: bonds (distance) C4'-P energy: -69.153 bonds (distance) P-C4' energy: -65.020 flat angles C4'-P-C4' energy: -57.920 flat angles P-C4'-P energy: -40.725 tors. eta vs tors. theta energy: -1.334 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: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1411.393138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.393138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.393138 (E_RNA) where: Base-Base interactions energy: -963.186 where: short stacking energy: -409.647 Base-Backbone interact. energy: -0.655 local terms energy: -447.552479 where: bonds (distance) C4'-P energy: -91.920 bonds (distance) P-C4' energy: -94.315 flat angles C4'-P-C4' energy: -90.047 flat angles P-C4'-P energy: -69.123 tors. eta vs tors. theta energy: -102.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1345.098161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.098161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.098161 (E_RNA) where: Base-Base interactions energy: -917.044 where: short stacking energy: -393.068 Base-Backbone interact. energy: -4.337 local terms energy: -423.717477 where: bonds (distance) C4'-P energy: -81.800 bonds (distance) P-C4' energy: -71.448 flat angles C4'-P-C4' energy: -95.347 flat angles P-C4'-P energy: -68.913 tors. eta vs tors. theta energy: -106.209 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: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1340.144438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.144438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.144438 (E_RNA) where: Base-Base interactions energy: -921.720 where: short stacking energy: -405.212 Base-Backbone interact. energy: -0.809 local terms energy: -417.615007 where: bonds (distance) C4'-P energy: -77.891 bonds (distance) P-C4' energy: -74.849 flat angles C4'-P-C4' energy: -97.584 flat angles P-C4'-P energy: -57.141 tors. eta vs tors. theta energy: -110.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1219.348497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.348497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.348497 (E_RNA) where: Base-Base interactions energy: -825.128 where: short stacking energy: -350.134 Base-Backbone interact. energy: -2.092 local terms energy: -392.128670 where: bonds (distance) C4'-P energy: -72.440 bonds (distance) P-C4' energy: -89.286 flat angles C4'-P-C4' energy: -84.511 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: -88.854 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: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1100.343844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.343844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.343844 (E_RNA) where: Base-Base interactions energy: -736.884 where: short stacking energy: -307.578 Base-Backbone interact. energy: -1.492 local terms energy: -361.968367 where: bonds (distance) C4'-P energy: -65.889 bonds (distance) P-C4' energy: -77.412 flat angles C4'-P-C4' energy: -83.248 flat angles P-C4'-P energy: -54.878 tors. eta vs tors. theta energy: -80.541 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: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1098.867649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.867649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.867649 (E_RNA) where: Base-Base interactions energy: -740.161 where: short stacking energy: -331.609 Base-Backbone interact. energy: 0.950 local terms energy: -359.656600 where: bonds (distance) C4'-P energy: -60.640 bonds (distance) P-C4' energy: -76.400 flat angles C4'-P-C4' energy: -87.401 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: -85.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -889.020534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.020534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.020534 (E_RNA) where: Base-Base interactions energy: -563.182 where: short stacking energy: -272.122 Base-Backbone interact. energy: 1.016 local terms energy: -326.854407 where: bonds (distance) C4'-P energy: -62.134 bonds (distance) P-C4' energy: -86.346 flat angles C4'-P-C4' energy: -76.422 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: -58.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -590.668006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.668006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.668006 (E_RNA) where: Base-Base interactions energy: -330.513 where: short stacking energy: -165.697 Base-Backbone interact. energy: 3.148 local terms energy: -263.302344 where: bonds (distance) C4'-P energy: -65.481 bonds (distance) P-C4' energy: -63.198 flat angles C4'-P-C4' energy: -82.036 flat angles P-C4'-P energy: -29.283 tors. eta vs tors. theta energy: -23.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -532.980530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.980530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.980530 (E_RNA) where: Base-Base interactions energy: -286.857 where: short stacking energy: -157.788 Base-Backbone interact. energy: 1.184 local terms energy: -247.307634 where: bonds (distance) C4'-P energy: -53.560 bonds (distance) P-C4' energy: -79.887 flat angles C4'-P-C4' energy: -72.666 flat angles P-C4'-P energy: -31.913 tors. eta vs tors. theta energy: -9.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -512.124392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.124392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.124392 (E_RNA) where: Base-Base interactions energy: -286.124 where: short stacking energy: -136.387 Base-Backbone interact. energy: 2.089 local terms energy: -228.089663 where: bonds (distance) C4'-P energy: -62.298 bonds (distance) P-C4' energy: -48.907 flat angles C4'-P-C4' energy: -63.780 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -7.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1429.778177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.778177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.778177 (E_RNA) where: Base-Base interactions energy: -996.401 where: short stacking energy: -399.236 Base-Backbone interact. energy: -1.399 local terms energy: -431.977653 where: bonds (distance) C4'-P energy: -84.052 bonds (distance) P-C4' energy: -84.322 flat angles C4'-P-C4' energy: -102.084 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -99.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1369.256437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.256437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.256437 (E_RNA) where: Base-Base interactions energy: -910.732 where: short stacking energy: -402.711 Base-Backbone interact. energy: -3.163 local terms energy: -455.361420 where: bonds (distance) C4'-P energy: -88.676 bonds (distance) P-C4' energy: -94.763 flat angles C4'-P-C4' energy: -94.874 flat angles P-C4'-P energy: -65.125 tors. eta vs tors. theta energy: -111.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1330.920076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.920076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.920076 (E_RNA) where: Base-Base interactions energy: -911.113 where: short stacking energy: -408.517 Base-Backbone interact. energy: -1.737 local terms energy: -418.070477 where: bonds (distance) C4'-P energy: -81.642 bonds (distance) P-C4' energy: -78.010 flat angles C4'-P-C4' energy: -91.143 flat angles P-C4'-P energy: -55.321 tors. eta vs tors. theta energy: -111.955 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: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1246.871318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.871318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.871318 (E_RNA) where: Base-Base interactions energy: -862.147 where: short stacking energy: -355.240 Base-Backbone interact. energy: -1.161 local terms energy: -383.563591 where: bonds (distance) C4'-P energy: -70.401 bonds (distance) P-C4' energy: -78.923 flat angles C4'-P-C4' energy: -89.781 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -92.725 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: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1158.914244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.914244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.914244 (E_RNA) where: Base-Base interactions energy: -776.888 where: short stacking energy: -357.904 Base-Backbone interact. energy: -1.651 local terms energy: -380.374991 where: bonds (distance) C4'-P energy: -65.167 bonds (distance) P-C4' energy: -75.848 flat angles C4'-P-C4' energy: -96.833 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: -82.993 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: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1131.355465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.355465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.355465 (E_RNA) where: Base-Base interactions energy: -767.294 where: short stacking energy: -309.326 Base-Backbone interact. energy: 0.613 local terms energy: -364.674206 where: bonds (distance) C4'-P energy: -75.039 bonds (distance) P-C4' energy: -74.220 flat angles C4'-P-C4' energy: -86.153 flat angles P-C4'-P energy: -46.078 tors. eta vs tors. theta energy: -83.185 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: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -884.709107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.709107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.709107 (E_RNA) where: Base-Base interactions energy: -560.652 where: short stacking energy: -264.109 Base-Backbone interact. energy: -2.874 local terms energy: -321.183280 where: bonds (distance) C4'-P energy: -71.991 bonds (distance) P-C4' energy: -61.863 flat angles C4'-P-C4' energy: -83.029 flat angles P-C4'-P energy: -45.620 tors. eta vs tors. theta energy: -58.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -575.547374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.547374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.547374 (E_RNA) where: Base-Base interactions energy: -304.644 where: short stacking energy: -135.676 Base-Backbone interact. energy: 0.870 local terms energy: -271.774098 where: bonds (distance) C4'-P energy: -74.534 bonds (distance) P-C4' energy: -84.626 flat angles C4'-P-C4' energy: -69.696 flat angles P-C4'-P energy: -43.559 tors. eta vs tors. theta energy: 0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -644.684525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.684525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.684525 (E_RNA) where: Base-Base interactions energy: -355.963 where: short stacking energy: -180.843 Base-Backbone interact. energy: 1.298 local terms energy: -290.020059 where: bonds (distance) C4'-P energy: -55.572 bonds (distance) P-C4' energy: -78.288 flat angles C4'-P-C4' energy: -73.928 flat angles P-C4'-P energy: -56.207 tors. eta vs tors. theta energy: -26.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -525.784385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.784385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.784385 (E_RNA) where: Base-Base interactions energy: -287.593 where: short stacking energy: -158.152 Base-Backbone interact. energy: 1.532 local terms energy: -239.723093 where: bonds (distance) C4'-P energy: -73.812 bonds (distance) P-C4' energy: -66.764 flat angles C4'-P-C4' energy: -65.701 flat angles P-C4'-P energy: -34.537 tors. eta vs tors. theta energy: 1.091 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: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1437.270445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.270445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.270445 (E_RNA) where: Base-Base interactions energy: -1023.508 where: short stacking energy: -426.048 Base-Backbone interact. energy: 4.410 local terms energy: -418.171864 where: bonds (distance) C4'-P energy: -83.118 bonds (distance) P-C4' energy: -85.452 flat angles C4'-P-C4' energy: -95.825 flat angles P-C4'-P energy: -52.507 tors. eta vs tors. theta energy: -101.270 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: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1379.389966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.389966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.389966 (E_RNA) where: Base-Base interactions energy: -939.716 where: short stacking energy: -396.798 Base-Backbone interact. energy: -3.510 local terms energy: -436.163806 where: bonds (distance) C4'-P energy: -73.858 bonds (distance) P-C4' energy: -86.353 flat angles C4'-P-C4' energy: -97.210 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: -114.233 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: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1313.334567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.334567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.334567 (E_RNA) where: Base-Base interactions energy: -898.089 where: short stacking energy: -399.310 Base-Backbone interact. energy: -0.691 local terms energy: -414.554491 where: bonds (distance) C4'-P energy: -79.438 bonds (distance) P-C4' energy: -74.862 flat angles C4'-P-C4' energy: -89.487 flat angles P-C4'-P energy: -61.773 tors. eta vs tors. theta energy: -108.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1208.107470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.107470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.107470 (E_RNA) where: Base-Base interactions energy: -820.027 where: short stacking energy: -366.212 Base-Backbone interact. energy: 1.276 local terms energy: -389.356771 where: bonds (distance) C4'-P energy: -70.533 bonds (distance) P-C4' energy: -78.630 flat angles C4'-P-C4' energy: -90.450 flat angles P-C4'-P energy: -47.816 tors. eta vs tors. theta energy: -101.927 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: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1172.229339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.229339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.229339 (E_RNA) where: Base-Base interactions energy: -828.838 where: short stacking energy: -329.635 Base-Backbone interact. energy: 0.688 local terms energy: -344.079460 where: bonds (distance) C4'-P energy: -69.007 bonds (distance) P-C4' energy: -70.765 flat angles C4'-P-C4' energy: -81.245 flat angles P-C4'-P energy: -47.034 tors. eta vs tors. theta energy: -76.029 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: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1127.280464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.280464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.280464 (E_RNA) where: Base-Base interactions energy: -764.245 where: short stacking energy: -299.775 Base-Backbone interact. energy: 1.492 local terms energy: -364.528112 where: bonds (distance) C4'-P energy: -67.489 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -86.372 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: -82.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -894.122220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.122220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.122220 (E_RNA) where: Base-Base interactions energy: -594.653 where: short stacking energy: -246.091 Base-Backbone interact. energy: -1.234 local terms energy: -298.234630 where: bonds (distance) C4'-P energy: -56.563 bonds (distance) P-C4' energy: -77.046 flat angles C4'-P-C4' energy: -68.006 flat angles P-C4'-P energy: -40.598 tors. eta vs tors. theta energy: -56.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -684.170998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.170998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.170998 (E_RNA) where: Base-Base interactions energy: -401.812 where: short stacking energy: -227.541 Base-Backbone interact. energy: 1.591 local terms energy: -283.949838 where: bonds (distance) C4'-P energy: -54.262 bonds (distance) P-C4' energy: -80.950 flat angles C4'-P-C4' energy: -68.249 flat angles P-C4'-P energy: -49.485 tors. eta vs tors. theta energy: -31.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -544.121955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.121955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.121955 (E_RNA) where: Base-Base interactions energy: -301.614 where: short stacking energy: -147.932 Base-Backbone interact. energy: -0.930 local terms energy: -241.578203 where: bonds (distance) C4'-P energy: -61.783 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -60.998 flat angles P-C4'-P energy: -34.384 tors. eta vs tors. theta energy: -17.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -566.254361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.254361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.254361 (E_RNA) where: Base-Base interactions energy: -336.458 where: short stacking energy: -148.340 Base-Backbone interact. energy: 3.879 local terms energy: -233.676068 where: bonds (distance) C4'-P energy: -57.255 bonds (distance) P-C4' energy: -81.607 flat angles C4'-P-C4' energy: -50.132 flat angles P-C4'-P energy: -35.246 tors. eta vs tors. theta energy: -9.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1442.320549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.320549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.320549 (E_RNA) where: Base-Base interactions energy: -998.275 where: short stacking energy: -410.689 Base-Backbone interact. energy: -2.343 local terms energy: -441.702398 where: bonds (distance) C4'-P energy: -82.720 bonds (distance) P-C4' energy: -90.200 flat angles C4'-P-C4' energy: -98.984 flat angles P-C4'-P energy: -66.239 tors. eta vs tors. theta energy: -103.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1342.385046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.385046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.385046 (E_RNA) where: Base-Base interactions energy: -906.909 where: short stacking energy: -384.239 Base-Backbone interact. energy: -3.200 local terms energy: -432.276122 where: bonds (distance) C4'-P energy: -82.476 bonds (distance) P-C4' energy: -86.700 flat angles C4'-P-C4' energy: -92.633 flat angles P-C4'-P energy: -64.896 tors. eta vs tors. theta energy: -105.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1341.958945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.958945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.958945 (E_RNA) where: Base-Base interactions energy: -902.844 where: short stacking energy: -405.872 Base-Backbone interact. energy: -0.449 local terms energy: -438.665629 where: bonds (distance) C4'-P energy: -81.739 bonds (distance) P-C4' energy: -83.823 flat angles C4'-P-C4' energy: -92.242 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -113.623 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: 9 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1214.919512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.919512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.919512 (E_RNA) where: Base-Base interactions energy: -833.420 where: short stacking energy: -385.215 Base-Backbone interact. energy: 6.165 local terms energy: -387.664353 where: bonds (distance) C4'-P energy: -67.634 bonds (distance) P-C4' energy: -85.876 flat angles C4'-P-C4' energy: -81.287 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -99.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1137.833587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.833587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.833587 (E_RNA) where: Base-Base interactions energy: -752.674 where: short stacking energy: -321.107 Base-Backbone interact. energy: 0.315 local terms energy: -385.474360 where: bonds (distance) C4'-P energy: -83.495 bonds (distance) P-C4' energy: -75.852 flat angles C4'-P-C4' energy: -74.813 flat angles P-C4'-P energy: -64.160 tors. eta vs tors. theta energy: -87.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1130.106522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.106522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.106522 (E_RNA) where: Base-Base interactions energy: -748.492 where: short stacking energy: -340.124 Base-Backbone interact. energy: 0.207 local terms energy: -381.821981 where: bonds (distance) C4'-P energy: -83.100 bonds (distance) P-C4' energy: -73.296 flat angles C4'-P-C4' energy: -86.219 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -91.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -868.366707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.366707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.366707 (E_RNA) where: Base-Base interactions energy: -567.608 where: short stacking energy: -247.130 Base-Backbone interact. energy: -0.435 local terms energy: -300.323404 where: bonds (distance) C4'-P energy: -73.550 bonds (distance) P-C4' energy: -72.674 flat angles C4'-P-C4' energy: -67.651 flat angles P-C4'-P energy: -33.843 tors. eta vs tors. theta energy: -52.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -638.022072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.022072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.022072 (E_RNA) where: Base-Base interactions energy: -344.995 where: short stacking energy: -166.140 Base-Backbone interact. energy: 0.079 local terms energy: -293.105821 where: bonds (distance) C4'-P energy: -81.585 bonds (distance) P-C4' energy: -65.294 flat angles C4'-P-C4' energy: -77.902 flat angles P-C4'-P energy: -51.192 tors. eta vs tors. theta energy: -17.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -535.969427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.969427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.969427 (E_RNA) where: Base-Base interactions energy: -283.218 where: short stacking energy: -170.712 Base-Backbone interact. energy: 5.491 local terms energy: -258.242247 where: bonds (distance) C4'-P energy: -63.277 bonds (distance) P-C4' energy: -84.886 flat angles C4'-P-C4' energy: -59.355 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: -12.060 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: 68 Temperature: 1.350000 Total energy: -490.825033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.825033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.825033 (E_RNA) where: Base-Base interactions energy: -253.862 where: short stacking energy: -116.614 Base-Backbone interact. energy: -0.115 local terms energy: -236.848026 where: bonds (distance) C4'-P energy: -67.643 bonds (distance) P-C4' energy: -54.753 flat angles C4'-P-C4' energy: -66.808 flat angles P-C4'-P energy: -42.958 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: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1442.830501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.830501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.830501 (E_RNA) where: Base-Base interactions energy: -1005.958 where: short stacking energy: -417.530 Base-Backbone interact. energy: 2.391 local terms energy: -439.263436 where: bonds (distance) C4'-P energy: -80.068 bonds (distance) P-C4' energy: -90.428 flat angles C4'-P-C4' energy: -93.799 flat angles P-C4'-P energy: -62.230 tors. eta vs tors. theta energy: -112.738 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: 69 Temperature: 0.950000 Total energy: -1365.375983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.375983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.375983 (E_RNA) where: Base-Base interactions energy: -942.140 where: short stacking energy: -420.003 Base-Backbone interact. energy: 1.792 local terms energy: -425.027704 where: bonds (distance) C4'-P energy: -73.646 bonds (distance) P-C4' energy: -89.547 flat angles C4'-P-C4' energy: -91.111 flat angles P-C4'-P energy: -56.715 tors. eta vs tors. theta energy: -114.008 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: 69 Temperature: 1.000000 Total energy: -1288.820156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.820156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.820156 (E_RNA) where: Base-Base interactions energy: -893.269 where: short stacking energy: -370.291 Base-Backbone interact. energy: -1.498 local terms energy: -394.054094 where: bonds (distance) C4'-P energy: -67.871 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -87.791 flat angles P-C4'-P energy: -50.956 tors. eta vs tors. theta energy: -101.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1228.996063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.996063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.996063 (E_RNA) where: Base-Base interactions energy: -837.721 where: short stacking energy: -373.285 Base-Backbone interact. energy: -1.905 local terms energy: -389.370132 where: bonds (distance) C4'-P energy: -65.466 bonds (distance) P-C4' energy: -76.801 flat angles C4'-P-C4' energy: -83.782 flat angles P-C4'-P energy: -56.642 tors. eta vs tors. theta energy: -106.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1188.776149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.776149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.776149 (E_RNA) where: Base-Base interactions energy: -821.572 where: short stacking energy: -321.488 Base-Backbone interact. energy: -2.362 local terms energy: -364.841947 where: bonds (distance) C4'-P energy: -75.047 bonds (distance) P-C4' energy: -73.200 flat angles C4'-P-C4' energy: -78.081 flat angles P-C4'-P energy: -50.006 tors. eta vs tors. theta energy: -88.508 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: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1111.145071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.145071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.145071 (E_RNA) where: Base-Base interactions energy: -744.959 where: short stacking energy: -322.832 Base-Backbone interact. energy: -2.334 local terms energy: -363.851890 where: bonds (distance) C4'-P energy: -64.499 bonds (distance) P-C4' energy: -78.725 flat angles C4'-P-C4' energy: -91.774 flat angles P-C4'-P energy: -44.507 tors. eta vs tors. theta energy: -84.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -867.543769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.543769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.543769 (E_RNA) where: Base-Base interactions energy: -547.038 where: short stacking energy: -230.549 Base-Backbone interact. energy: -2.161 local terms energy: -318.345421 where: bonds (distance) C4'-P energy: -82.415 bonds (distance) P-C4' energy: -80.110 flat angles C4'-P-C4' energy: -64.465 flat angles P-C4'-P energy: -50.682 tors. eta vs tors. theta energy: -40.674 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: 8, replica: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -652.731843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.731843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.731843 (E_RNA) where: Base-Base interactions energy: -386.109 where: short stacking energy: -211.497 Base-Backbone interact. energy: 2.727 local terms energy: -269.349453 where: bonds (distance) C4'-P energy: -48.782 bonds (distance) P-C4' energy: -67.910 flat angles C4'-P-C4' energy: -79.979 flat angles P-C4'-P energy: -53.953 tors. eta vs tors. theta energy: -18.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -635.414457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.414457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.414457 (E_RNA) where: Base-Base interactions energy: -379.470 where: short stacking energy: -163.741 Base-Backbone interact. energy: 0.263 local terms energy: -256.207000 where: bonds (distance) C4'-P energy: -69.438 bonds (distance) P-C4' energy: -78.072 flat angles C4'-P-C4' energy: -57.407 flat angles P-C4'-P energy: -31.015 tors. eta vs tors. theta energy: -20.276 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: 69 Temperature: 1.350000 Total energy: -492.191004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.191004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.191004 (E_RNA) where: Base-Base interactions energy: -266.656 where: short stacking energy: -149.524 Base-Backbone interact. energy: -0.745 local terms energy: -224.790547 where: bonds (distance) C4'-P energy: -62.375 bonds (distance) P-C4' energy: -71.290 flat angles C4'-P-C4' energy: -63.150 flat angles P-C4'-P energy: -19.701 tors. eta vs tors. theta energy: -8.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1405.853823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.853823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.853823 (E_RNA) where: Base-Base interactions energy: -966.875 where: short stacking energy: -435.715 Base-Backbone interact. energy: -1.338 local terms energy: -437.640984 where: bonds (distance) C4'-P energy: -85.658 bonds (distance) P-C4' energy: -82.908 flat angles C4'-P-C4' energy: -96.677 flat angles P-C4'-P energy: -53.949 tors. eta vs tors. theta energy: -118.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1421.114903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.114903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.114903 (E_RNA) where: Base-Base interactions energy: -1019.014 where: short stacking energy: -440.196 Base-Backbone interact. energy: 2.469 local terms energy: -404.569601 where: bonds (distance) C4'-P energy: -67.700 bonds (distance) P-C4' energy: -70.199 flat angles C4'-P-C4' energy: -92.924 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: -115.904 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: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1285.192740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.192740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.192740 (E_RNA) where: Base-Base interactions energy: -877.570 where: short stacking energy: -394.864 Base-Backbone interact. energy: -1.911 local terms energy: -405.711587 where: bonds (distance) C4'-P energy: -80.534 bonds (distance) P-C4' energy: -84.667 flat angles C4'-P-C4' energy: -81.374 flat angles P-C4'-P energy: -59.423 tors. eta vs tors. theta energy: -99.715 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: 2 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1229.819431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.819431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.819431 (E_RNA) where: Base-Base interactions energy: -848.013 where: short stacking energy: -382.975 Base-Backbone interact. energy: 0.020 local terms energy: -381.826751 where: bonds (distance) C4'-P energy: -75.781 bonds (distance) P-C4' energy: -75.341 flat angles C4'-P-C4' energy: -83.670 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: -97.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1171.547299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.547299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.547299 (E_RNA) where: Base-Base interactions energy: -809.815 where: short stacking energy: -328.873 Base-Backbone interact. energy: 0.491 local terms energy: -362.223725 where: bonds (distance) C4'-P energy: -82.784 bonds (distance) P-C4' energy: -76.255 flat angles C4'-P-C4' energy: -80.829 flat angles P-C4'-P energy: -43.724 tors. eta vs tors. theta energy: -78.633 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: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1070.893626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.893626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.893626 (E_RNA) where: Base-Base interactions energy: -744.836 where: short stacking energy: -327.829 Base-Backbone interact. energy: -2.776 local terms energy: -323.281465 where: bonds (distance) C4'-P energy: -65.692 bonds (distance) P-C4' energy: -69.829 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -29.252 tors. eta vs tors. theta energy: -75.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -834.370305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.370305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.370305 (E_RNA) where: Base-Base interactions energy: -528.330 where: short stacking energy: -256.764 Base-Backbone interact. energy: -2.015 local terms energy: -304.025834 where: bonds (distance) C4'-P energy: -68.174 bonds (distance) P-C4' energy: -80.099 flat angles C4'-P-C4' energy: -71.712 flat angles P-C4'-P energy: -43.200 tors. eta vs tors. theta energy: -40.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -659.660206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.660206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.660206 (E_RNA) where: Base-Base interactions energy: -395.886 where: short stacking energy: -219.035 Base-Backbone interact. energy: 0.650 local terms energy: -264.423277 where: bonds (distance) C4'-P energy: -49.035 bonds (distance) P-C4' energy: -72.750 flat angles C4'-P-C4' energy: -67.653 flat angles P-C4'-P energy: -38.216 tors. eta vs tors. theta energy: -36.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -667.056176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.056176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.056176 (E_RNA) where: Base-Base interactions energy: -400.126 where: short stacking energy: -203.929 Base-Backbone interact. energy: -1.254 local terms energy: -265.676267 where: bonds (distance) C4'-P energy: -75.906 bonds (distance) P-C4' energy: -68.856 flat angles C4'-P-C4' energy: -53.177 flat angles P-C4'-P energy: -42.126 tors. eta vs tors. theta energy: -25.613 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: 70 Temperature: 1.350000 Total energy: -507.500260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.500260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.500260 (E_RNA) where: Base-Base interactions energy: -252.796 where: short stacking energy: -135.272 Base-Backbone interact. energy: -1.294 local terms energy: -253.410390 where: bonds (distance) C4'-P energy: -59.597 bonds (distance) P-C4' energy: -84.158 flat angles C4'-P-C4' energy: -59.487 flat angles P-C4'-P energy: -39.771 tors. eta vs tors. theta energy: -10.398 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: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1444.152258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.152258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.152258 (E_RNA) where: Base-Base interactions energy: -993.092 where: short stacking energy: -437.889 Base-Backbone interact. energy: -2.884 local terms energy: -448.176191 where: bonds (distance) C4'-P energy: -71.854 bonds (distance) P-C4' energy: -85.452 flat angles C4'-P-C4' energy: -95.069 flat angles P-C4'-P energy: -65.061 tors. eta vs tors. theta energy: -130.740 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: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1394.991852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.991852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.991852 (E_RNA) where: Base-Base interactions energy: -981.173 where: short stacking energy: -401.894 Base-Backbone interact. energy: -2.444 local terms energy: -411.375064 where: bonds (distance) C4'-P energy: -74.578 bonds (distance) P-C4' energy: -78.589 flat angles C4'-P-C4' energy: -92.381 flat angles P-C4'-P energy: -62.658 tors. eta vs tors. theta energy: -103.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1298.345812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.345812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.345812 (E_RNA) where: Base-Base interactions energy: -877.304 where: short stacking energy: -389.439 Base-Backbone interact. energy: -2.669 local terms energy: -418.373088 where: bonds (distance) C4'-P energy: -71.751 bonds (distance) P-C4' energy: -77.579 flat angles C4'-P-C4' energy: -88.644 flat angles P-C4'-P energy: -62.276 tors. eta vs tors. theta energy: -118.123 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: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1200.893947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.893947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.893947 (E_RNA) where: Base-Base interactions energy: -831.560 where: short stacking energy: -320.342 Base-Backbone interact. energy: -2.130 local terms energy: -367.203608 where: bonds (distance) C4'-P energy: -79.568 bonds (distance) P-C4' energy: -77.779 flat angles C4'-P-C4' energy: -81.463 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -71.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1244.145623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.145623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.145623 (E_RNA) where: Base-Base interactions energy: -840.341 where: short stacking energy: -379.629 Base-Backbone interact. energy: -3.444 local terms energy: -400.359984 where: bonds (distance) C4'-P energy: -79.405 bonds (distance) P-C4' energy: -66.568 flat angles C4'-P-C4' energy: -85.805 flat angles P-C4'-P energy: -61.101 tors. eta vs tors. theta energy: -107.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1056.605184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.605184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.605184 (E_RNA) where: Base-Base interactions energy: -721.297 where: short stacking energy: -314.458 Base-Backbone interact. energy: 2.527 local terms energy: -337.835138 where: bonds (distance) C4'-P energy: -52.128 bonds (distance) P-C4' energy: -69.697 flat angles C4'-P-C4' energy: -85.923 flat angles P-C4'-P energy: -53.426 tors. eta vs tors. theta energy: -76.662 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: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -885.810952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.810952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.810952 (E_RNA) where: Base-Base interactions energy: -579.561 where: short stacking energy: -238.297 Base-Backbone interact. energy: -1.602 local terms energy: -304.647960 where: bonds (distance) C4'-P energy: -73.383 bonds (distance) P-C4' energy: -78.496 flat angles C4'-P-C4' energy: -73.686 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -29.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -740.532182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.532182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.532182 (E_RNA) where: Base-Base interactions energy: -443.710 where: short stacking energy: -228.832 Base-Backbone interact. energy: -1.820 local terms energy: -295.002229 where: bonds (distance) C4'-P energy: -65.615 bonds (distance) P-C4' energy: -79.390 flat angles C4'-P-C4' energy: -70.040 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: -31.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -666.017334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.017334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.017334 (E_RNA) where: Base-Base interactions energy: -407.168 where: short stacking energy: -197.367 Base-Backbone interact. energy: -1.969 local terms energy: -256.880420 where: bonds (distance) C4'-P energy: -56.697 bonds (distance) P-C4' energy: -68.159 flat angles C4'-P-C4' energy: -57.298 flat angles P-C4'-P energy: -47.466 tors. eta vs tors. theta energy: -27.261 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: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -474.967945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.967945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.967945 (E_RNA) where: Base-Base interactions energy: -249.424 where: short stacking energy: -147.436 Base-Backbone interact. energy: 0.766 local terms energy: -226.309817 where: bonds (distance) C4'-P energy: -53.909 bonds (distance) P-C4' energy: -77.926 flat angles C4'-P-C4' energy: -55.314 flat angles P-C4'-P energy: -39.730 tors. eta vs tors. theta energy: 0.570 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: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1448.918361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.918361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.918361 (E_RNA) where: Base-Base interactions energy: -973.926 where: short stacking energy: -450.504 Base-Backbone interact. energy: -0.669 local terms energy: -474.323132 where: bonds (distance) C4'-P energy: -82.622 bonds (distance) P-C4' energy: -87.250 flat angles C4'-P-C4' energy: -101.248 flat angles P-C4'-P energy: -70.199 tors. eta vs tors. theta energy: -133.004 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: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1397.363961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.363961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.363961 (E_RNA) where: Base-Base interactions energy: -982.570 where: short stacking energy: -395.998 Base-Backbone interact. energy: -1.386 local terms energy: -413.407686 where: bonds (distance) C4'-P energy: -66.749 bonds (distance) P-C4' energy: -82.549 flat angles C4'-P-C4' energy: -98.225 flat angles P-C4'-P energy: -68.781 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: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1279.002545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.002545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.002545 (E_RNA) where: Base-Base interactions energy: -871.412 where: short stacking energy: -360.931 Base-Backbone interact. energy: -1.651 local terms energy: -405.939651 where: bonds (distance) C4'-P energy: -66.152 bonds (distance) P-C4' energy: -80.687 flat angles C4'-P-C4' energy: -89.638 flat angles P-C4'-P energy: -63.794 tors. eta vs tors. theta energy: -105.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1211.331700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.331700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.331700 (E_RNA) where: Base-Base interactions energy: -818.191 where: short stacking energy: -368.004 Base-Backbone interact. energy: 2.096 local terms energy: -395.237597 where: bonds (distance) C4'-P energy: -66.147 bonds (distance) P-C4' energy: -87.569 flat angles C4'-P-C4' energy: -94.021 flat angles P-C4'-P energy: -58.036 tors. eta vs tors. theta energy: -89.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1206.108699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.108699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.108699 (E_RNA) where: Base-Base interactions energy: -822.627 where: short stacking energy: -345.008 Base-Backbone interact. energy: -1.089 local terms energy: -382.392211 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -72.688 flat angles C4'-P-C4' energy: -82.994 flat angles P-C4'-P energy: -55.747 tors. eta vs tors. theta energy: -94.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1067.110784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.110784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.110784 (E_RNA) where: Base-Base interactions energy: -715.907 where: short stacking energy: -297.407 Base-Backbone interact. energy: -4.843 local terms energy: -346.361280 where: bonds (distance) C4'-P energy: -73.111 bonds (distance) P-C4' energy: -68.318 flat angles C4'-P-C4' energy: -81.993 flat angles P-C4'-P energy: -45.342 tors. eta vs tors. theta energy: -77.598 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: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -854.298714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.298714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.298714 (E_RNA) where: Base-Base interactions energy: -536.485 where: short stacking energy: -254.310 Base-Backbone interact. energy: -1.745 local terms energy: -316.068070 where: bonds (distance) C4'-P energy: -75.557 bonds (distance) P-C4' energy: -58.266 flat angles C4'-P-C4' energy: -77.928 flat angles P-C4'-P energy: -45.842 tors. eta vs tors. theta energy: -58.475 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: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -745.572404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.572404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.572404 (E_RNA) where: Base-Base interactions energy: -452.571 where: short stacking energy: -208.434 Base-Backbone interact. energy: -1.203 local terms energy: -291.798783 where: bonds (distance) C4'-P energy: -69.398 bonds (distance) P-C4' energy: -82.930 flat angles C4'-P-C4' energy: -68.424 flat angles P-C4'-P energy: -32.850 tors. eta vs tors. theta energy: -38.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -652.609309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.609309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.609309 (E_RNA) where: Base-Base interactions energy: -372.648 where: short stacking energy: -194.679 Base-Backbone interact. energy: -1.671 local terms energy: -278.290281 where: bonds (distance) C4'-P energy: -68.680 bonds (distance) P-C4' energy: -70.571 flat angles C4'-P-C4' energy: -75.034 flat angles P-C4'-P energy: -34.912 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: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -480.118196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.118196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.118196 (E_RNA) where: Base-Base interactions energy: -243.256 where: short stacking energy: -128.477 Base-Backbone interact. energy: 1.062 local terms energy: -237.924952 where: bonds (distance) C4'-P energy: -62.804 bonds (distance) P-C4' energy: -78.779 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -29.428 tors. eta vs tors. theta energy: 5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1434.020322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.020322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.020322 (E_RNA) where: Base-Base interactions energy: -975.500 where: short stacking energy: -421.765 Base-Backbone interact. energy: 0.059 local terms energy: -458.578893 where: bonds (distance) C4'-P energy: -83.049 bonds (distance) P-C4' energy: -91.830 flat angles C4'-P-C4' energy: -89.378 flat angles P-C4'-P energy: -71.422 tors. eta vs tors. theta energy: -122.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1420.890882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.890882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.890882 (E_RNA) where: Base-Base interactions energy: -977.172 where: short stacking energy: -390.325 Base-Backbone interact. energy: -2.741 local terms energy: -440.977651 where: bonds (distance) C4'-P energy: -92.532 bonds (distance) P-C4' energy: -90.160 flat angles C4'-P-C4' energy: -95.579 flat angles P-C4'-P energy: -58.612 tors. eta vs tors. theta energy: -104.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1292.547232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.547232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.547232 (E_RNA) where: Base-Base interactions energy: -864.890 where: short stacking energy: -365.219 Base-Backbone interact. energy: 1.356 local terms energy: -429.012719 where: bonds (distance) C4'-P energy: -84.897 bonds (distance) P-C4' energy: -83.116 flat angles C4'-P-C4' energy: -94.983 flat angles P-C4'-P energy: -63.062 tors. eta vs tors. theta energy: -102.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1260.317443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.317443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.317443 (E_RNA) where: Base-Base interactions energy: -871.235 where: short stacking energy: -366.876 Base-Backbone interact. energy: -3.425 local terms energy: -385.657759 where: bonds (distance) C4'-P energy: -69.345 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -86.306 flat angles P-C4'-P energy: -53.251 tors. eta vs tors. theta energy: -97.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1159.124204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.124204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.124204 (E_RNA) where: Base-Base interactions energy: -764.850 where: short stacking energy: -315.242 Base-Backbone interact. energy: -1.686 local terms energy: -392.588026 where: bonds (distance) C4'-P energy: -92.106 bonds (distance) P-C4' energy: -77.174 flat angles C4'-P-C4' energy: -84.614 flat angles P-C4'-P energy: -58.017 tors. eta vs tors. theta energy: -80.677 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: 73 Temperature: 1.150000 Total energy: -1056.520965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.520965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.520965 (E_RNA) where: Base-Base interactions energy: -712.849 where: short stacking energy: -315.873 Base-Backbone interact. energy: 0.035 local terms energy: -343.707371 where: bonds (distance) C4'-P energy: -77.828 bonds (distance) P-C4' energy: -68.152 flat angles C4'-P-C4' energy: -76.379 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -71.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -877.696850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.696850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.696850 (E_RNA) where: Base-Base interactions energy: -569.893 where: short stacking energy: -278.733 Base-Backbone interact. energy: -2.155 local terms energy: -305.648899 where: bonds (distance) C4'-P energy: -66.394 bonds (distance) P-C4' energy: -58.591 flat angles C4'-P-C4' energy: -78.532 flat angles P-C4'-P energy: -42.231 tors. eta vs tors. theta energy: -59.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -745.498106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.498106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.498106 (E_RNA) where: Base-Base interactions energy: -465.373 where: short stacking energy: -220.367 Base-Backbone interact. energy: 4.265 local terms energy: -284.390702 where: bonds (distance) C4'-P energy: -67.964 bonds (distance) P-C4' energy: -63.841 flat angles C4'-P-C4' energy: -72.447 flat angles P-C4'-P energy: -39.195 tors. eta vs tors. theta energy: -40.944 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: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -635.466432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.466432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.466432 (E_RNA) where: Base-Base interactions energy: -364.293 where: short stacking energy: -188.433 Base-Backbone interact. energy: -2.346 local terms energy: -268.827127 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -76.604 flat angles C4'-P-C4' energy: -67.299 flat angles P-C4'-P energy: -43.203 tors. eta vs tors. theta energy: -20.188 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: 73 Temperature: 1.350000 Total energy: -531.659346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.659346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.659346 (E_RNA) where: Base-Base interactions energy: -278.184 where: short stacking energy: -154.609 Base-Backbone interact. energy: -0.290 local terms energy: -253.185254 where: bonds (distance) C4'-P energy: -56.028 bonds (distance) P-C4' energy: -79.278 flat angles C4'-P-C4' energy: -69.185 flat angles P-C4'-P energy: -33.820 tors. eta vs tors. theta energy: -14.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1439.317917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.317917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.317917 (E_RNA) where: Base-Base interactions energy: -1016.072 where: short stacking energy: -411.377 Base-Backbone interact. energy: -2.309 local terms energy: -420.936504 where: bonds (distance) C4'-P energy: -87.999 bonds (distance) P-C4' energy: -79.015 flat angles C4'-P-C4' energy: -93.899 flat angles P-C4'-P energy: -56.678 tors. eta vs tors. theta energy: -103.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1381.502982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.502982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.502982 (E_RNA) where: Base-Base interactions energy: -947.293 where: short stacking energy: -417.411 Base-Backbone interact. energy: -0.612 local terms energy: -433.598218 where: bonds (distance) C4'-P energy: -82.756 bonds (distance) P-C4' energy: -87.609 flat angles C4'-P-C4' energy: -86.600 flat angles P-C4'-P energy: -63.144 tors. eta vs tors. theta energy: -113.489 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: 74 Temperature: 1.000000 Total energy: -1332.628200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.628200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.628200 (E_RNA) where: Base-Base interactions energy: -912.538 where: short stacking energy: -395.274 Base-Backbone interact. energy: -1.949 local terms energy: -418.140625 where: bonds (distance) C4'-P energy: -72.743 bonds (distance) P-C4' energy: -88.055 flat angles C4'-P-C4' energy: -76.361 flat angles P-C4'-P energy: -65.964 tors. eta vs tors. theta energy: -115.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1267.953154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.953154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.953154 (E_RNA) where: Base-Base interactions energy: -855.645 where: short stacking energy: -387.822 Base-Backbone interact. energy: -2.471 local terms energy: -409.837188 where: bonds (distance) C4'-P energy: -58.416 bonds (distance) P-C4' energy: -87.258 flat angles C4'-P-C4' energy: -94.978 flat angles P-C4'-P energy: -63.838 tors. eta vs tors. theta energy: -105.347 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: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1237.246623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.246623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.246623 (E_RNA) where: Base-Base interactions energy: -848.452 where: short stacking energy: -344.680 Base-Backbone interact. energy: -1.887 local terms energy: -386.907960 where: bonds (distance) C4'-P energy: -68.170 bonds (distance) P-C4' energy: -82.712 flat angles C4'-P-C4' energy: -96.697 flat angles P-C4'-P energy: -52.975 tors. eta vs tors. theta energy: -86.354 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: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1090.715978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.715978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.715978 (E_RNA) where: Base-Base interactions energy: -735.088 where: short stacking energy: -312.032 Base-Backbone interact. energy: -1.022 local terms energy: -354.605906 where: bonds (distance) C4'-P energy: -69.110 bonds (distance) P-C4' energy: -80.760 flat angles C4'-P-C4' energy: -83.261 flat angles P-C4'-P energy: -47.236 tors. eta vs tors. theta energy: -74.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -866.503530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.503530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.503530 (E_RNA) where: Base-Base interactions energy: -548.104 where: short stacking energy: -257.205 Base-Backbone interact. energy: -1.838 local terms energy: -316.561499 where: bonds (distance) C4'-P energy: -67.553 bonds (distance) P-C4' energy: -82.286 flat angles C4'-P-C4' energy: -68.465 flat angles P-C4'-P energy: -34.972 tors. eta vs tors. theta energy: -63.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -724.547819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.547819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.547819 (E_RNA) where: Base-Base interactions energy: -427.928 where: short stacking energy: -215.579 Base-Backbone interact. energy: -0.306 local terms energy: -296.313800 where: bonds (distance) C4'-P energy: -60.130 bonds (distance) P-C4' energy: -72.325 flat angles C4'-P-C4' energy: -65.699 flat angles P-C4'-P energy: -55.165 tors. eta vs tors. theta energy: -42.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -640.619842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.619842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.619842 (E_RNA) where: Base-Base interactions energy: -374.360 where: short stacking energy: -184.183 Base-Backbone interact. energy: 9.429 local terms energy: -275.688988 where: bonds (distance) C4'-P energy: -74.073 bonds (distance) P-C4' energy: -69.358 flat angles C4'-P-C4' energy: -69.625 flat angles P-C4'-P energy: -35.248 tors. eta vs tors. theta energy: -27.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -502.444916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.444916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.444916 (E_RNA) where: Base-Base interactions energy: -275.553 where: short stacking energy: -122.460 Base-Backbone interact. energy: 0.169 local terms energy: -227.061674 where: bonds (distance) C4'-P energy: -65.308 bonds (distance) P-C4' energy: -64.006 flat angles C4'-P-C4' energy: -58.525 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1452.963798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.963798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.963798 (E_RNA) where: Base-Base interactions energy: -1020.630 where: short stacking energy: -415.822 Base-Backbone interact. energy: -2.706 local terms energy: -429.627725 where: bonds (distance) C4'-P energy: -90.117 bonds (distance) P-C4' energy: -67.879 flat angles C4'-P-C4' energy: -100.998 flat angles P-C4'-P energy: -63.231 tors. eta vs tors. theta energy: -107.403 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: 75 Temperature: 0.950000 Total energy: -1382.938364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.938364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.938364 (E_RNA) where: Base-Base interactions energy: -959.156 where: short stacking energy: -404.039 Base-Backbone interact. energy: -1.927 local terms energy: -421.855442 where: bonds (distance) C4'-P energy: -81.006 bonds (distance) P-C4' energy: -73.195 flat angles C4'-P-C4' energy: -92.615 flat angles P-C4'-P energy: -55.872 tors. eta vs tors. theta energy: -119.167 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: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1389.971141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.971141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.971141 (E_RNA) where: Base-Base interactions energy: -954.590 where: short stacking energy: -421.285 Base-Backbone interact. energy: 1.185 local terms energy: -437.350207 where: bonds (distance) C4'-P energy: -77.860 bonds (distance) P-C4' energy: -78.252 flat angles C4'-P-C4' energy: -102.152 flat angles P-C4'-P energy: -53.451 tors. eta vs tors. theta energy: -125.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.784 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1254.065148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.065148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.065148 (E_RNA) where: Base-Base interactions energy: -864.753 where: short stacking energy: -385.139 Base-Backbone interact. energy: -2.005 local terms energy: -387.306826 where: bonds (distance) C4'-P energy: -69.988 bonds (distance) P-C4' energy: -82.124 flat angles C4'-P-C4' energy: -77.476 flat angles P-C4'-P energy: -52.429 tors. eta vs tors. theta energy: -105.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1190.153625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.153625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.153625 (E_RNA) where: Base-Base interactions energy: -817.885 where: short stacking energy: -336.036 Base-Backbone interact. energy: -0.902 local terms energy: -371.366594 where: bonds (distance) C4'-P energy: -69.228 bonds (distance) P-C4' energy: -88.738 flat angles C4'-P-C4' energy: -79.040 flat angles P-C4'-P energy: -54.348 tors. eta vs tors. theta energy: -80.013 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: 75 Temperature: 1.150000 Total energy: -1082.992715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.992715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.992715 (E_RNA) where: Base-Base interactions energy: -751.429 where: short stacking energy: -330.771 Base-Backbone interact. energy: -3.516 local terms energy: -328.047631 where: bonds (distance) C4'-P energy: -54.785 bonds (distance) P-C4' energy: -66.408 flat angles C4'-P-C4' energy: -80.644 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -74.098 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: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -893.278751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.278751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.278751 (E_RNA) where: Base-Base interactions energy: -565.288 where: short stacking energy: -279.214 Base-Backbone interact. energy: -0.506 local terms energy: -327.485171 where: bonds (distance) C4'-P energy: -70.567 bonds (distance) P-C4' energy: -76.612 flat angles C4'-P-C4' energy: -80.371 flat angles P-C4'-P energy: -31.484 tors. eta vs tors. theta energy: -68.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -771.767144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.767144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.767144 (E_RNA) where: Base-Base interactions energy: -472.885 where: short stacking energy: -240.569 Base-Backbone interact. energy: -1.708 local terms energy: -297.173839 where: bonds (distance) C4'-P energy: -68.869 bonds (distance) P-C4' energy: -79.197 flat angles C4'-P-C4' energy: -61.450 flat angles P-C4'-P energy: -41.587 tors. eta vs tors. theta energy: -46.071 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: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -603.561173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.561173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.561173 (E_RNA) where: Base-Base interactions energy: -357.088 where: short stacking energy: -188.538 Base-Backbone interact. energy: 1.094 local terms energy: -247.567035 where: bonds (distance) C4'-P energy: -69.238 bonds (distance) P-C4' energy: -69.924 flat angles C4'-P-C4' energy: -64.313 flat angles P-C4'-P energy: -30.931 tors. eta vs tors. theta energy: -13.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -556.403966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.403966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.403966 (E_RNA) where: Base-Base interactions energy: -288.730 where: short stacking energy: -153.742 Base-Backbone interact. energy: 0.075 local terms energy: -267.749192 where: bonds (distance) C4'-P energy: -71.309 bonds (distance) P-C4' energy: -78.111 flat angles C4'-P-C4' energy: -75.078 flat angles P-C4'-P energy: -32.244 tors. eta vs tors. theta energy: -11.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1448.702782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.702782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.702782 (E_RNA) where: Base-Base interactions energy: -1000.979 where: short stacking energy: -433.764 Base-Backbone interact. energy: 0.399 local terms energy: -448.122693 where: bonds (distance) C4'-P energy: -90.428 bonds (distance) P-C4' energy: -88.640 flat angles C4'-P-C4' energy: -88.804 flat angles P-C4'-P energy: -68.455 tors. eta vs tors. theta energy: -111.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1369.724749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.724749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.724749 (E_RNA) where: Base-Base interactions energy: -954.506 where: short stacking energy: -383.665 Base-Backbone interact. energy: -0.170 local terms energy: -415.048651 where: bonds (distance) C4'-P energy: -75.472 bonds (distance) P-C4' energy: -78.734 flat angles C4'-P-C4' energy: -92.149 flat angles P-C4'-P energy: -60.808 tors. eta vs tors. theta energy: -107.886 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: 7 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1381.254347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.254347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.254347 (E_RNA) where: Base-Base interactions energy: -937.379 where: short stacking energy: -413.018 Base-Backbone interact. energy: 1.476 local terms energy: -445.351667 where: bonds (distance) C4'-P energy: -82.174 bonds (distance) P-C4' energy: -80.529 flat angles C4'-P-C4' energy: -97.506 flat angles P-C4'-P energy: -63.922 tors. eta vs tors. theta energy: -121.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1265.018719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.018719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.018719 (E_RNA) where: Base-Base interactions energy: -877.563 where: short stacking energy: -407.570 Base-Backbone interact. energy: 0.628 local terms energy: -388.083840 where: bonds (distance) C4'-P energy: -76.624 bonds (distance) P-C4' energy: -71.953 flat angles C4'-P-C4' energy: -88.851 flat angles P-C4'-P energy: -49.574 tors. eta vs tors. theta energy: -101.081 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: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1196.125508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.125508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.125508 (E_RNA) where: Base-Base interactions energy: -820.621 where: short stacking energy: -342.356 Base-Backbone interact. energy: -1.693 local terms energy: -373.811178 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -81.065 flat angles C4'-P-C4' energy: -94.153 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -86.212 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: 76 Temperature: 1.150000 Total energy: -1046.280267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.280267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.280267 (E_RNA) where: Base-Base interactions energy: -684.808 where: short stacking energy: -310.874 Base-Backbone interact. energy: -2.218 local terms energy: -359.254000 where: bonds (distance) C4'-P energy: -69.725 bonds (distance) P-C4' energy: -78.823 flat angles C4'-P-C4' energy: -80.873 flat angles P-C4'-P energy: -51.122 tors. eta vs tors. theta energy: -78.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -850.790544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.790544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.790544 (E_RNA) where: Base-Base interactions energy: -532.381 where: short stacking energy: -240.886 Base-Backbone interact. energy: -3.405 local terms energy: -315.004269 where: bonds (distance) C4'-P energy: -74.854 bonds (distance) P-C4' energy: -64.439 flat angles C4'-P-C4' energy: -75.390 flat angles P-C4'-P energy: -47.804 tors. eta vs tors. theta energy: -52.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -732.065294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.065294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.065294 (E_RNA) where: Base-Base interactions energy: -445.415 where: short stacking energy: -239.608 Base-Backbone interact. energy: -0.485 local terms energy: -286.165366 where: bonds (distance) C4'-P energy: -67.720 bonds (distance) P-C4' energy: -71.325 flat angles C4'-P-C4' energy: -65.887 flat angles P-C4'-P energy: -42.598 tors. eta vs tors. theta energy: -38.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -637.627544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.627544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.627544 (E_RNA) where: Base-Base interactions energy: -389.774 where: short stacking energy: -173.596 Base-Backbone interact. energy: -2.057 local terms energy: -245.797210 where: bonds (distance) C4'-P energy: -62.392 bonds (distance) P-C4' energy: -69.693 flat angles C4'-P-C4' energy: -72.979 flat angles P-C4'-P energy: -23.606 tors. eta vs tors. theta energy: -17.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -539.153672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.153672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.153672 (E_RNA) where: Base-Base interactions energy: -300.653 where: short stacking energy: -160.111 Base-Backbone interact. energy: -0.851 local terms energy: -237.649721 where: bonds (distance) C4'-P energy: -49.510 bonds (distance) P-C4' energy: -72.638 flat angles C4'-P-C4' energy: -67.331 flat angles P-C4'-P energy: -42.295 tors. eta vs tors. theta energy: -5.877 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: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1472.690671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.690671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.690671 (E_RNA) where: Base-Base interactions energy: -1037.527 where: short stacking energy: -418.095 Base-Backbone interact. energy: 2.010 local terms energy: -437.174009 where: bonds (distance) C4'-P energy: -88.442 bonds (distance) P-C4' energy: -82.735 flat angles C4'-P-C4' energy: -97.839 flat angles P-C4'-P energy: -57.624 tors. eta vs tors. theta energy: -110.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1396.145515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.145515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.145515 (E_RNA) where: Base-Base interactions energy: -958.635 where: short stacking energy: -442.638 Base-Backbone interact. energy: -0.239 local terms energy: -437.271471 where: bonds (distance) C4'-P energy: -83.381 bonds (distance) P-C4' energy: -76.646 flat angles C4'-P-C4' energy: -97.691 flat angles P-C4'-P energy: -55.524 tors. eta vs tors. theta energy: -124.029 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: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1314.481673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.481673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.481673 (E_RNA) where: Base-Base interactions energy: -900.342 where: short stacking energy: -377.266 Base-Backbone interact. energy: -1.055 local terms energy: -413.085516 where: bonds (distance) C4'-P energy: -82.063 bonds (distance) P-C4' energy: -81.939 flat angles C4'-P-C4' energy: -89.850 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -103.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1248.287147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.287147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.287147 (E_RNA) where: Base-Base interactions energy: -857.436 where: short stacking energy: -377.354 Base-Backbone interact. energy: -0.079 local terms energy: -390.772242 where: bonds (distance) C4'-P energy: -78.686 bonds (distance) P-C4' energy: -83.898 flat angles C4'-P-C4' energy: -83.822 flat angles P-C4'-P energy: -52.348 tors. eta vs tors. theta energy: -92.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1223.230728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.230728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.230728 (E_RNA) where: Base-Base interactions energy: -838.313 where: short stacking energy: -368.175 Base-Backbone interact. energy: -0.974 local terms energy: -383.944488 where: bonds (distance) C4'-P energy: -80.686 bonds (distance) P-C4' energy: -67.913 flat angles C4'-P-C4' energy: -86.994 flat angles P-C4'-P energy: -47.589 tors. eta vs tors. theta energy: -100.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1098.396694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.396694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.396694 (E_RNA) where: Base-Base interactions energy: -722.785 where: short stacking energy: -322.552 Base-Backbone interact. energy: -1.365 local terms energy: -374.246456 where: bonds (distance) C4'-P energy: -79.971 bonds (distance) P-C4' energy: -75.241 flat angles C4'-P-C4' energy: -80.050 flat angles P-C4'-P energy: -53.231 tors. eta vs tors. theta energy: -85.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -898.793043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.793043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.793043 (E_RNA) where: Base-Base interactions energy: -585.534 where: short stacking energy: -270.843 Base-Backbone interact. energy: -0.981 local terms energy: -312.277838 where: bonds (distance) C4'-P energy: -71.958 bonds (distance) P-C4' energy: -69.932 flat angles C4'-P-C4' energy: -81.797 flat angles P-C4'-P energy: -29.985 tors. eta vs tors. theta energy: -58.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -725.104695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.104695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.104695 (E_RNA) where: Base-Base interactions energy: -415.734 where: short stacking energy: -173.029 Base-Backbone interact. energy: 0.837 local terms energy: -310.206891 where: bonds (distance) C4'-P energy: -79.340 bonds (distance) P-C4' energy: -83.563 flat angles C4'-P-C4' energy: -75.559 flat angles P-C4'-P energy: -53.543 tors. eta vs tors. theta energy: -18.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -625.054389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.054389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.054389 (E_RNA) where: Base-Base interactions energy: -376.372 where: short stacking energy: -185.860 Base-Backbone interact. energy: -0.935 local terms energy: -247.747904 where: bonds (distance) C4'-P energy: -58.149 bonds (distance) P-C4' energy: -76.186 flat angles C4'-P-C4' energy: -64.185 flat angles P-C4'-P energy: -33.599 tors. eta vs tors. theta energy: -15.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -457.638542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.638542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.638542 (E_RNA) where: Base-Base interactions energy: -230.175 where: short stacking energy: -153.365 Base-Backbone interact. energy: 0.223 local terms energy: -227.687334 where: bonds (distance) C4'-P energy: -70.807 bonds (distance) P-C4' energy: -67.449 flat angles C4'-P-C4' energy: -65.233 flat angles P-C4'-P energy: -24.671 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: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1457.502302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.502302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.502302 (E_RNA) where: Base-Base interactions energy: -1021.407 where: short stacking energy: -423.899 Base-Backbone interact. energy: -2.381 local terms energy: -433.714381 where: bonds (distance) C4'-P energy: -88.009 bonds (distance) P-C4' energy: -77.213 flat angles C4'-P-C4' energy: -101.714 flat angles P-C4'-P energy: -58.342 tors. eta vs tors. theta energy: -108.436 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: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1405.702150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.702150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.702150 (E_RNA) where: Base-Base interactions energy: -978.551 where: short stacking energy: -430.009 Base-Backbone interact. energy: 1.576 local terms energy: -428.726525 where: bonds (distance) C4'-P energy: -73.034 bonds (distance) P-C4' energy: -82.808 flat angles C4'-P-C4' energy: -94.397 flat angles P-C4'-P energy: -61.045 tors. eta vs tors. theta energy: -117.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1306.174161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.174161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.174161 (E_RNA) where: Base-Base interactions energy: -901.992 where: short stacking energy: -387.025 Base-Backbone interact. energy: -2.517 local terms energy: -401.665432 where: bonds (distance) C4'-P energy: -75.803 bonds (distance) P-C4' energy: -75.887 flat angles C4'-P-C4' energy: -84.580 flat angles P-C4'-P energy: -65.162 tors. eta vs tors. theta energy: -100.233 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: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1218.812045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.812045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.812045 (E_RNA) where: Base-Base interactions energy: -826.065 where: short stacking energy: -347.899 Base-Backbone interact. energy: -2.780 local terms energy: -389.966906 where: bonds (distance) C4'-P energy: -77.643 bonds (distance) P-C4' energy: -75.057 flat angles C4'-P-C4' energy: -94.590 flat angles P-C4'-P energy: -50.740 tors. eta vs tors. theta energy: -91.938 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: 5, replica: 9 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1235.199338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.199338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.199338 (E_RNA) where: Base-Base interactions energy: -867.080 where: short stacking energy: -373.760 Base-Backbone interact. energy: 2.652 local terms energy: -370.770666 where: bonds (distance) C4'-P energy: -61.974 bonds (distance) P-C4' energy: -72.306 flat angles C4'-P-C4' energy: -84.676 flat angles P-C4'-P energy: -61.071 tors. eta vs tors. theta energy: -90.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1106.978171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.978171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.978171 (E_RNA) where: Base-Base interactions energy: -753.085 where: short stacking energy: -353.838 Base-Backbone interact. energy: 0.412 local terms energy: -354.305159 where: bonds (distance) C4'-P energy: -68.243 bonds (distance) P-C4' energy: -70.745 flat angles C4'-P-C4' energy: -67.018 flat angles P-C4'-P energy: -51.277 tors. eta vs tors. theta energy: -97.023 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: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -809.380810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.380810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.380810 (E_RNA) where: Base-Base interactions energy: -503.916 where: short stacking energy: -240.659 Base-Backbone interact. energy: -2.343 local terms energy: -303.121701 where: bonds (distance) C4'-P energy: -61.914 bonds (distance) P-C4' energy: -75.435 flat angles C4'-P-C4' energy: -71.136 flat angles P-C4'-P energy: -52.954 tors. eta vs tors. theta energy: -41.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -709.800844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.800844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.800844 (E_RNA) where: Base-Base interactions energy: -415.962 where: short stacking energy: -192.965 Base-Backbone interact. energy: 0.912 local terms energy: -294.751229 where: bonds (distance) C4'-P energy: -68.204 bonds (distance) P-C4' energy: -79.103 flat angles C4'-P-C4' energy: -83.968 flat angles P-C4'-P energy: -35.450 tors. eta vs tors. theta energy: -28.027 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: 9, replica: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -622.663506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.663506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.663506 (E_RNA) where: Base-Base interactions energy: -364.679 where: short stacking energy: -173.327 Base-Backbone interact. energy: 0.822 local terms energy: -258.806170 where: bonds (distance) C4'-P energy: -62.282 bonds (distance) P-C4' energy: -77.682 flat angles C4'-P-C4' energy: -64.796 flat angles P-C4'-P energy: -36.263 tors. eta vs tors. theta energy: -17.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -511.156037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.156037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.156037 (E_RNA) where: Base-Base interactions energy: -271.597 where: short stacking energy: -167.180 Base-Backbone interact. energy: -0.848 local terms energy: -238.710643 where: bonds (distance) C4'-P energy: -63.347 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -61.536 flat angles P-C4'-P energy: -49.225 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1460.940307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.940307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.940307 (E_RNA) where: Base-Base interactions energy: -1033.596 where: short stacking energy: -401.400 Base-Backbone interact. energy: -1.500 local terms energy: -425.844610 where: bonds (distance) C4'-P energy: -90.126 bonds (distance) P-C4' energy: -77.058 flat angles C4'-P-C4' energy: -87.225 flat angles P-C4'-P energy: -64.502 tors. eta vs tors. theta energy: -106.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1405.433829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.433829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.433829 (E_RNA) where: Base-Base interactions energy: -954.134 where: short stacking energy: -430.301 Base-Backbone interact. energy: -0.329 local terms energy: -450.970680 where: bonds (distance) C4'-P energy: -80.692 bonds (distance) P-C4' energy: -90.519 flat angles C4'-P-C4' energy: -94.428 flat angles P-C4'-P energy: -58.538 tors. eta vs tors. theta energy: -126.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1338.849957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.849957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.849957 (E_RNA) where: Base-Base interactions energy: -934.210 where: short stacking energy: -383.503 Base-Backbone interact. energy: -4.346 local terms energy: -400.293761 where: bonds (distance) C4'-P energy: -69.499 bonds (distance) P-C4' energy: -75.961 flat angles C4'-P-C4' energy: -91.042 flat angles P-C4'-P energy: -51.060 tors. eta vs tors. theta energy: -112.731 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: 4, replica: 9 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1266.795855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.795855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.795855 (E_RNA) where: Base-Base interactions energy: -866.967 where: short stacking energy: -384.198 Base-Backbone interact. energy: -0.511 local terms energy: -399.317302 where: bonds (distance) C4'-P energy: -76.217 bonds (distance) P-C4' energy: -78.491 flat angles C4'-P-C4' energy: -85.194 flat angles P-C4'-P energy: -65.465 tors. eta vs tors. theta energy: -93.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1170.869040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.869040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.869040 (E_RNA) where: Base-Base interactions energy: -803.600 where: short stacking energy: -334.394 Base-Backbone interact. energy: -2.488 local terms energy: -364.781589 where: bonds (distance) C4'-P energy: -68.548 bonds (distance) P-C4' energy: -81.113 flat angles C4'-P-C4' energy: -75.723 flat angles P-C4'-P energy: -55.242 tors. eta vs tors. theta energy: -84.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1071.517860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.517860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.517860 (E_RNA) where: Base-Base interactions energy: -720.947 where: short stacking energy: -321.720 Base-Backbone interact. energy: 0.349 local terms energy: -350.920320 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -70.836 flat angles C4'-P-C4' energy: -81.299 flat angles P-C4'-P energy: -45.680 tors. eta vs tors. theta energy: -77.815 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: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -793.735366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.735366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.735366 (E_RNA) where: Base-Base interactions energy: -507.119 where: short stacking energy: -238.264 Base-Backbone interact. energy: -0.671 local terms energy: -285.944834 where: bonds (distance) C4'-P energy: -57.928 bonds (distance) P-C4' energy: -73.170 flat angles C4'-P-C4' energy: -73.163 flat angles P-C4'-P energy: -38.980 tors. eta vs tors. theta energy: -42.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -762.299200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.299200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.299200 (E_RNA) where: Base-Base interactions energy: -466.691 where: short stacking energy: -224.387 Base-Backbone interact. energy: 0.617 local terms energy: -296.225163 where: bonds (distance) C4'-P energy: -65.850 bonds (distance) P-C4' energy: -69.618 flat angles C4'-P-C4' energy: -77.083 flat angles P-C4'-P energy: -45.454 tors. eta vs tors. theta energy: -38.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -615.780465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.780465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.780465 (E_RNA) where: Base-Base interactions energy: -358.145 where: short stacking energy: -165.944 Base-Backbone interact. energy: 0.101 local terms energy: -257.736541 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -83.568 flat angles C4'-P-C4' energy: -60.584 flat angles P-C4'-P energy: -35.513 tors. eta vs tors. theta energy: -10.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -476.322548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.322548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.322548 (E_RNA) where: Base-Base interactions energy: -231.558 where: short stacking energy: -124.495 Base-Backbone interact. energy: -1.589 local terms energy: -243.176088 where: bonds (distance) C4'-P energy: -56.060 bonds (distance) P-C4' energy: -66.485 flat angles C4'-P-C4' energy: -75.309 flat angles P-C4'-P energy: -42.807 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1477.842377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.842377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.842377 (E_RNA) where: Base-Base interactions energy: -1036.483 where: short stacking energy: -419.576 Base-Backbone interact. energy: -1.541 local terms energy: -439.818761 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -84.743 flat angles C4'-P-C4' energy: -98.810 flat angles P-C4'-P energy: -71.421 tors. eta vs tors. theta energy: -109.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1396.651939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.651939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.651939 (E_RNA) where: Base-Base interactions energy: -956.706 where: short stacking energy: -431.794 Base-Backbone interact. energy: -0.764 local terms energy: -439.181898 where: bonds (distance) C4'-P energy: -80.843 bonds (distance) P-C4' energy: -81.130 flat angles C4'-P-C4' energy: -100.174 flat angles P-C4'-P energy: -54.467 tors. eta vs tors. theta energy: -122.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1319.076108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.076108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.076108 (E_RNA) where: Base-Base interactions energy: -906.269 where: short stacking energy: -404.684 Base-Backbone interact. energy: -0.535 local terms energy: -412.272175 where: bonds (distance) C4'-P energy: -76.689 bonds (distance) P-C4' energy: -77.969 flat angles C4'-P-C4' energy: -82.095 flat angles P-C4'-P energy: -57.720 tors. eta vs tors. theta energy: -117.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1285.004765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.004765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.004765 (E_RNA) where: Base-Base interactions energy: -880.585 where: short stacking energy: -379.688 Base-Backbone interact. energy: -0.239 local terms energy: -404.180640 where: bonds (distance) C4'-P energy: -75.760 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -95.076 flat angles P-C4'-P energy: -56.544 tors. eta vs tors. theta energy: -103.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1185.775274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.775274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.775274 (E_RNA) where: Base-Base interactions energy: -821.637 where: short stacking energy: -335.326 Base-Backbone interact. energy: -1.139 local terms energy: -362.999508 where: bonds (distance) C4'-P energy: -67.577 bonds (distance) P-C4' energy: -84.916 flat angles C4'-P-C4' energy: -80.290 flat angles P-C4'-P energy: -41.832 tors. eta vs tors. theta energy: -88.385 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: 80 Temperature: 1.150000 Total energy: -1097.423658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.423658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.423658 (E_RNA) where: Base-Base interactions energy: -762.321 where: short stacking energy: -319.917 Base-Backbone interact. energy: -2.038 local terms energy: -333.064894 where: bonds (distance) C4'-P energy: -64.497 bonds (distance) P-C4' energy: -78.749 flat angles C4'-P-C4' energy: -75.762 flat angles P-C4'-P energy: -40.348 tors. eta vs tors. theta energy: -73.709 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: 7, replica: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -767.222485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.222485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.222485 (E_RNA) where: Base-Base interactions energy: -440.899 where: short stacking energy: -235.377 Base-Backbone interact. energy: 1.093 local terms energy: -327.417098 where: bonds (distance) C4'-P energy: -65.932 bonds (distance) P-C4' energy: -86.687 flat angles C4'-P-C4' energy: -73.401 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -50.425 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: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -713.073873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.073873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.073873 (E_RNA) where: Base-Base interactions energy: -429.674 where: short stacking energy: -205.582 Base-Backbone interact. energy: -3.077 local terms energy: -280.323100 where: bonds (distance) C4'-P energy: -61.310 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -57.382 tors. eta vs tors. theta energy: -32.310 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: 6 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -627.752966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.752966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.752966 (E_RNA) where: Base-Base interactions energy: -366.875 where: short stacking energy: -172.351 Base-Backbone interact. energy: -2.069 local terms energy: -258.808996 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -66.407 flat angles P-C4'-P energy: -31.349 tors. eta vs tors. theta energy: -21.914 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: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -497.995751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.995751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.995751 (E_RNA) where: Base-Base interactions energy: -243.092 where: short stacking energy: -146.899 Base-Backbone interact. energy: -1.282 local terms energy: -253.622048 where: bonds (distance) C4'-P energy: -80.726 bonds (distance) P-C4' energy: -71.188 flat angles C4'-P-C4' energy: -60.216 flat angles P-C4'-P energy: -32.443 tors. eta vs tors. theta energy: -9.049 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: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1471.497172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.497172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.497172 (E_RNA) where: Base-Base interactions energy: -1018.843 where: short stacking energy: -421.600 Base-Backbone interact. energy: 0.207 local terms energy: -452.862018 where: bonds (distance) C4'-P energy: -83.616 bonds (distance) P-C4' energy: -91.147 flat angles C4'-P-C4' energy: -95.962 flat angles P-C4'-P energy: -70.433 tors. eta vs tors. theta energy: -111.703 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: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1437.601232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.601232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.601232 (E_RNA) where: Base-Base interactions energy: -965.105 where: short stacking energy: -423.244 Base-Backbone interact. energy: -0.409 local terms energy: -472.087001 where: bonds (distance) C4'-P energy: -81.534 bonds (distance) P-C4' energy: -94.556 flat angles C4'-P-C4' energy: -102.711 flat angles P-C4'-P energy: -65.290 tors. eta vs tors. theta energy: -127.995 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: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1304.684931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.684931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.684931 (E_RNA) where: Base-Base interactions energy: -875.246 where: short stacking energy: -377.300 Base-Backbone interact. energy: -1.695 local terms energy: -427.743180 where: bonds (distance) C4'-P energy: -86.902 bonds (distance) P-C4' energy: -71.117 flat angles C4'-P-C4' energy: -98.276 flat angles P-C4'-P energy: -64.612 tors. eta vs tors. theta energy: -106.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1318.244657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.244657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.244657 (E_RNA) where: Base-Base interactions energy: -920.696 where: short stacking energy: -389.095 Base-Backbone interact. energy: -3.547 local terms energy: -394.002040 where: bonds (distance) C4'-P energy: -81.464 bonds (distance) P-C4' energy: -75.266 flat angles C4'-P-C4' energy: -73.633 flat angles P-C4'-P energy: -58.573 tors. eta vs tors. theta energy: -105.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1254.952299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.952299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.952299 (E_RNA) where: Base-Base interactions energy: -845.029 where: short stacking energy: -372.706 Base-Backbone interact. energy: -1.735 local terms energy: -408.188674 where: bonds (distance) C4'-P energy: -77.195 bonds (distance) P-C4' energy: -70.162 flat angles C4'-P-C4' energy: -92.990 flat angles P-C4'-P energy: -64.670 tors. eta vs tors. theta energy: -103.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1032.448738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.448738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.448738 (E_RNA) where: Base-Base interactions energy: -657.567 where: short stacking energy: -307.069 Base-Backbone interact. energy: -0.536 local terms energy: -374.346113 where: bonds (distance) C4'-P energy: -74.966 bonds (distance) P-C4' energy: -80.464 flat angles C4'-P-C4' energy: -82.023 flat angles P-C4'-P energy: -54.568 tors. eta vs tors. theta energy: -82.325 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: 7, replica: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -814.711168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.711168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.711168 (E_RNA) where: Base-Base interactions energy: -513.168 where: short stacking energy: -217.695 Base-Backbone interact. energy: -1.947 local terms energy: -299.596313 where: bonds (distance) C4'-P energy: -62.436 bonds (distance) P-C4' energy: -76.024 flat angles C4'-P-C4' energy: -69.838 flat angles P-C4'-P energy: -48.965 tors. eta vs tors. theta energy: -42.334 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: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -711.145470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.145470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.145470 (E_RNA) where: Base-Base interactions energy: -420.482 where: short stacking energy: -204.394 Base-Backbone interact. energy: -1.677 local terms energy: -288.986036 where: bonds (distance) C4'-P energy: -70.888 bonds (distance) P-C4' energy: -71.166 flat angles C4'-P-C4' energy: -81.097 flat angles P-C4'-P energy: -36.431 tors. eta vs tors. theta energy: -29.405 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: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -660.370118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.370118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.370118 (E_RNA) where: Base-Base interactions energy: -394.847 where: short stacking energy: -187.218 Base-Backbone interact. energy: 1.923 local terms energy: -267.446183 where: bonds (distance) C4'-P energy: -61.500 bonds (distance) P-C4' energy: -78.985 flat angles C4'-P-C4' energy: -68.291 flat angles P-C4'-P energy: -40.423 tors. eta vs tors. theta energy: -18.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -483.996921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.996921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.996921 (E_RNA) where: Base-Base interactions energy: -251.936 where: short stacking energy: -141.563 Base-Backbone interact. energy: 2.546 local terms energy: -234.607714 where: bonds (distance) C4'-P energy: -75.425 bonds (distance) P-C4' energy: -78.044 flat angles C4'-P-C4' energy: -47.641 flat angles P-C4'-P energy: -34.834 tors. eta vs tors. theta energy: 1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1433.878113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.878113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.878113 (E_RNA) where: Base-Base interactions energy: -1003.277 where: short stacking energy: -418.994 Base-Backbone interact. energy: -0.883 local terms energy: -429.718268 where: bonds (distance) C4'-P energy: -90.321 bonds (distance) P-C4' energy: -86.514 flat angles C4'-P-C4' energy: -101.272 flat angles P-C4'-P energy: -51.351 tors. eta vs tors. theta energy: -100.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1437.143488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.143488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.143488 (E_RNA) where: Base-Base interactions energy: -990.872 where: short stacking energy: -432.015 Base-Backbone interact. energy: -1.412 local terms energy: -444.859461 where: bonds (distance) C4'-P energy: -84.330 bonds (distance) P-C4' energy: -74.307 flat angles C4'-P-C4' energy: -96.324 flat angles P-C4'-P energy: -67.369 tors. eta vs tors. theta energy: -122.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1320.728061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.728061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.728061 (E_RNA) where: Base-Base interactions energy: -910.939 where: short stacking energy: -372.711 Base-Backbone interact. energy: -0.036 local terms energy: -409.752815 where: bonds (distance) C4'-P energy: -81.209 bonds (distance) P-C4' energy: -78.516 flat angles C4'-P-C4' energy: -86.703 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -107.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1265.118561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.118561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.118561 (E_RNA) where: Base-Base interactions energy: -855.468 where: short stacking energy: -373.830 Base-Backbone interact. energy: -0.263 local terms energy: -409.387440 where: bonds (distance) C4'-P energy: -78.101 bonds (distance) P-C4' energy: -78.817 flat angles C4'-P-C4' energy: -92.167 flat angles P-C4'-P energy: -57.536 tors. eta vs tors. theta energy: -102.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1219.775698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.775698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.775698 (E_RNA) where: Base-Base interactions energy: -859.119 where: short stacking energy: -357.450 Base-Backbone interact. energy: -2.313 local terms energy: -358.343160 where: bonds (distance) C4'-P energy: -63.573 bonds (distance) P-C4' energy: -67.345 flat angles C4'-P-C4' energy: -86.154 flat angles P-C4'-P energy: -48.645 tors. eta vs tors. theta energy: -92.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1099.946560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.946560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.946560 (E_RNA) where: Base-Base interactions energy: -724.555 where: short stacking energy: -339.066 Base-Backbone interact. energy: -3.252 local terms energy: -372.139895 where: bonds (distance) C4'-P energy: -61.391 bonds (distance) P-C4' energy: -83.211 flat angles C4'-P-C4' energy: -88.073 flat angles P-C4'-P energy: -54.934 tors. eta vs tors. theta energy: -84.531 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: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -866.552711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.552711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.552711 (E_RNA) where: Base-Base interactions energy: -560.745 where: short stacking energy: -247.044 Base-Backbone interact. energy: -0.295 local terms energy: -305.512791 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -69.132 flat angles C4'-P-C4' energy: -76.540 flat angles P-C4'-P energy: -51.500 tors. eta vs tors. theta energy: -46.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -688.544454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.544454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.544454 (E_RNA) where: Base-Base interactions energy: -408.173 where: short stacking energy: -200.906 Base-Backbone interact. energy: 1.035 local terms energy: -281.407144 where: bonds (distance) C4'-P energy: -68.813 bonds (distance) P-C4' energy: -66.935 flat angles C4'-P-C4' energy: -74.104 flat angles P-C4'-P energy: -46.044 tors. eta vs tors. theta energy: -25.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -679.704455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.704455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.704455 (E_RNA) where: Base-Base interactions energy: -383.901 where: short stacking energy: -180.046 Base-Backbone interact. energy: 3.499 local terms energy: -299.301821 where: bonds (distance) C4'-P energy: -73.076 bonds (distance) P-C4' energy: -68.616 flat angles C4'-P-C4' energy: -83.719 flat angles P-C4'-P energy: -51.794 tors. eta vs tors. theta energy: -22.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -456.809698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.809698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.809698 (E_RNA) where: Base-Base interactions energy: -235.566 where: short stacking energy: -131.833 Base-Backbone interact. energy: -1.300 local terms energy: -219.944094 where: bonds (distance) C4'-P energy: -60.971 bonds (distance) P-C4' energy: -70.552 flat angles C4'-P-C4' energy: -69.301 flat angles P-C4'-P energy: -27.509 tors. eta vs tors. theta energy: 8.390 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: 3 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1459.042995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.042995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.042995 (E_RNA) where: Base-Base interactions energy: -1042.272 where: short stacking energy: -430.460 Base-Backbone interact. energy: -0.918 local terms energy: -415.853477 where: bonds (distance) C4'-P energy: -74.997 bonds (distance) P-C4' energy: -78.279 flat angles C4'-P-C4' energy: -97.683 flat angles P-C4'-P energy: -51.054 tors. eta vs tors. theta energy: -113.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1426.725984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.725984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.725984 (E_RNA) where: Base-Base interactions energy: -987.645 where: short stacking energy: -418.022 Base-Backbone interact. energy: -1.723 local terms energy: -437.357958 where: bonds (distance) C4'-P energy: -84.233 bonds (distance) P-C4' energy: -83.189 flat angles C4'-P-C4' energy: -90.305 flat angles P-C4'-P energy: -67.043 tors. eta vs tors. theta energy: -112.587 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: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1321.344274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.344274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.344274 (E_RNA) where: Base-Base interactions energy: -894.138 where: short stacking energy: -374.566 Base-Backbone interact. energy: -2.774 local terms energy: -424.431904 where: bonds (distance) C4'-P energy: -76.246 bonds (distance) P-C4' energy: -91.625 flat angles C4'-P-C4' energy: -88.580 flat angles P-C4'-P energy: -62.926 tors. eta vs tors. theta energy: -105.054 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: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1319.380416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.380416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.380416 (E_RNA) where: Base-Base interactions energy: -919.170 where: short stacking energy: -399.641 Base-Backbone interact. energy: -1.607 local terms energy: -398.602869 where: bonds (distance) C4'-P energy: -80.159 bonds (distance) P-C4' energy: -78.456 flat angles C4'-P-C4' energy: -87.934 flat angles P-C4'-P energy: -49.754 tors. eta vs tors. theta energy: -102.301 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: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1210.009609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.009609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.009609 (E_RNA) where: Base-Base interactions energy: -861.763 where: short stacking energy: -375.997 Base-Backbone interact. energy: -0.957 local terms energy: -347.290214 where: bonds (distance) C4'-P energy: -70.602 bonds (distance) P-C4' energy: -67.166 flat angles C4'-P-C4' energy: -72.694 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: -95.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1097.304832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.304832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.304832 (E_RNA) where: Base-Base interactions energy: -727.012 where: short stacking energy: -331.317 Base-Backbone interact. energy: -1.586 local terms energy: -368.706884 where: bonds (distance) C4'-P energy: -68.277 bonds (distance) P-C4' energy: -72.521 flat angles C4'-P-C4' energy: -82.295 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -85.285 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: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -896.374179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.374179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.374179 (E_RNA) where: Base-Base interactions energy: -578.729 where: short stacking energy: -269.534 Base-Backbone interact. energy: -0.489 local terms energy: -317.155868 where: bonds (distance) C4'-P energy: -61.594 bonds (distance) P-C4' energy: -81.217 flat angles C4'-P-C4' energy: -88.398 flat angles P-C4'-P energy: -32.151 tors. eta vs tors. theta energy: -53.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -726.074495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.074495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.074495 (E_RNA) where: Base-Base interactions energy: -429.590 where: short stacking energy: -209.001 Base-Backbone interact. energy: -1.842 local terms energy: -294.642860 where: bonds (distance) C4'-P energy: -66.085 bonds (distance) P-C4' energy: -83.907 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -39.312 tors. eta vs tors. theta energy: -40.669 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: 5 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -601.408092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.408092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.408092 (E_RNA) where: Base-Base interactions energy: -328.014 where: short stacking energy: -169.650 Base-Backbone interact. energy: -2.004 local terms energy: -271.390271 where: bonds (distance) C4'-P energy: -64.106 bonds (distance) P-C4' energy: -63.779 flat angles C4'-P-C4' energy: -68.371 flat angles P-C4'-P energy: -53.206 tors. eta vs tors. theta energy: -21.928 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: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -425.886332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.886332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.886332 (E_RNA) where: Base-Base interactions energy: -207.678 where: short stacking energy: -131.201 Base-Backbone interact. energy: 0.515 local terms energy: -218.723598 where: bonds (distance) C4'-P energy: -67.188 bonds (distance) P-C4' energy: -53.473 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: 3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1488.251172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.251172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.251172 (E_RNA) where: Base-Base interactions energy: -1049.755 where: short stacking energy: -417.867 Base-Backbone interact. energy: -2.238 local terms energy: -436.258771 where: bonds (distance) C4'-P energy: -87.533 bonds (distance) P-C4' energy: -83.863 flat angles C4'-P-C4' energy: -88.673 flat angles P-C4'-P energy: -68.498 tors. eta vs tors. theta energy: -107.692 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: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1430.899428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.899428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.899428 (E_RNA) where: Base-Base interactions energy: -999.473 where: short stacking energy: -447.531 Base-Backbone interact. energy: -1.716 local terms energy: -429.711166 where: bonds (distance) C4'-P energy: -89.408 bonds (distance) P-C4' energy: -76.218 flat angles C4'-P-C4' energy: -84.620 flat angles P-C4'-P energy: -56.893 tors. eta vs tors. theta energy: -122.572 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: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1322.484440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.484440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.484440 (E_RNA) where: Base-Base interactions energy: -913.741 where: short stacking energy: -397.819 Base-Backbone interact. energy: 0.448 local terms energy: -409.191000 where: bonds (distance) C4'-P energy: -67.102 bonds (distance) P-C4' energy: -87.858 flat angles C4'-P-C4' energy: -88.165 flat angles P-C4'-P energy: -61.184 tors. eta vs tors. theta energy: -104.882 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: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1301.077759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.077759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.077759 (E_RNA) where: Base-Base interactions energy: -915.053 where: short stacking energy: -383.809 Base-Backbone interact. energy: -1.026 local terms energy: -384.998838 where: bonds (distance) C4'-P energy: -73.307 bonds (distance) P-C4' energy: -81.994 flat angles C4'-P-C4' energy: -80.761 flat angles P-C4'-P energy: -53.613 tors. eta vs tors. theta energy: -95.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1234.616426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.616426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.616426 (E_RNA) where: Base-Base interactions energy: -835.468 where: short stacking energy: -336.911 Base-Backbone interact. energy: -1.121 local terms energy: -398.028087 where: bonds (distance) C4'-P energy: -78.880 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -87.090 flat angles P-C4'-P energy: -55.190 tors. eta vs tors. theta energy: -96.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1132.212828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.212828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.212828 (E_RNA) where: Base-Base interactions energy: -774.096 where: short stacking energy: -321.033 Base-Backbone interact. energy: -2.168 local terms energy: -355.948288 where: bonds (distance) C4'-P energy: -72.644 bonds (distance) P-C4' energy: -78.050 flat angles C4'-P-C4' energy: -83.230 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: -69.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -902.488943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.488943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.488943 (E_RNA) where: Base-Base interactions energy: -590.561 where: short stacking energy: -254.689 Base-Backbone interact. energy: 0.283 local terms energy: -312.211105 where: bonds (distance) C4'-P energy: -83.907 bonds (distance) P-C4' energy: -65.424 flat angles C4'-P-C4' energy: -76.795 flat angles P-C4'-P energy: -38.626 tors. eta vs tors. theta energy: -47.459 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: 6 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -689.770962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.770962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.770962 (E_RNA) where: Base-Base interactions energy: -400.568 where: short stacking energy: -196.225 Base-Backbone interact. energy: 1.347 local terms energy: -290.549545 where: bonds (distance) C4'-P energy: -76.520 bonds (distance) P-C4' energy: -75.086 flat angles C4'-P-C4' energy: -69.970 flat angles P-C4'-P energy: -30.131 tors. eta vs tors. theta energy: -38.844 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: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -520.638629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.638629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.638629 (E_RNA) where: Base-Base interactions energy: -262.318 where: short stacking energy: -147.854 Base-Backbone interact. energy: -0.458 local terms energy: -257.862345 where: bonds (distance) C4'-P energy: -68.933 bonds (distance) P-C4' energy: -75.996 flat angles C4'-P-C4' energy: -78.884 flat angles P-C4'-P energy: -26.598 tors. eta vs tors. theta energy: -7.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -475.498245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.498245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.498245 (E_RNA) where: Base-Base interactions energy: -242.872 where: short stacking energy: -135.091 Base-Backbone interact. energy: 2.701 local terms energy: -235.327491 where: bonds (distance) C4'-P energy: -68.608 bonds (distance) P-C4' energy: -72.343 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -34.052 tors. eta vs tors. theta energy: 4.872 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: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1470.541482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.541482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.541482 (E_RNA) where: Base-Base interactions energy: -1034.873 where: short stacking energy: -409.042 Base-Backbone interact. energy: -1.957 local terms energy: -433.711083 where: bonds (distance) C4'-P energy: -85.385 bonds (distance) P-C4' energy: -87.460 flat angles C4'-P-C4' energy: -88.554 flat angles P-C4'-P energy: -59.434 tors. eta vs tors. theta energy: -112.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1424.857552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.857552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.857552 (E_RNA) where: Base-Base interactions energy: -1000.030 where: short stacking energy: -423.574 Base-Backbone interact. energy: -1.165 local terms energy: -423.662541 where: bonds (distance) C4'-P energy: -72.293 bonds (distance) P-C4' energy: -81.000 flat angles C4'-P-C4' energy: -93.570 flat angles P-C4'-P energy: -61.708 tors. eta vs tors. theta energy: -115.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1347.743959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.743959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.743959 (E_RNA) where: Base-Base interactions energy: -950.706 where: short stacking energy: -399.728 Base-Backbone interact. energy: -1.518 local terms energy: -395.520162 where: bonds (distance) C4'-P energy: -75.804 bonds (distance) P-C4' energy: -84.120 flat angles C4'-P-C4' energy: -88.705 flat angles P-C4'-P energy: -48.338 tors. eta vs tors. theta energy: -98.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1290.918986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.918986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.918986 (E_RNA) where: Base-Base interactions energy: -884.758 where: short stacking energy: -387.534 Base-Backbone interact. energy: -0.988 local terms energy: -405.172817 where: bonds (distance) C4'-P energy: -75.480 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -85.860 flat angles P-C4'-P energy: -59.307 tors. eta vs tors. theta energy: -106.940 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: 5, replica: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1216.628150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.628150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.628150 (E_RNA) where: Base-Base interactions energy: -842.165 where: short stacking energy: -351.694 Base-Backbone interact. energy: -1.633 local terms energy: -372.830351 where: bonds (distance) C4'-P energy: -82.730 bonds (distance) P-C4' energy: -74.810 flat angles C4'-P-C4' energy: -86.337 flat angles P-C4'-P energy: -50.102 tors. eta vs tors. theta energy: -78.851 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: 85 Temperature: 1.150000 Total energy: -1116.302394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.302394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.302394 (E_RNA) where: Base-Base interactions energy: -756.920 where: short stacking energy: -336.562 Base-Backbone interact. energy: -2.800 local terms energy: -356.581864 where: bonds (distance) C4'-P energy: -71.891 bonds (distance) P-C4' energy: -78.426 flat angles C4'-P-C4' energy: -80.192 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: -85.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -945.866352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.866352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.866352 (E_RNA) where: Base-Base interactions energy: -627.758 where: short stacking energy: -283.812 Base-Backbone interact. energy: -1.681 local terms energy: -316.427474 where: bonds (distance) C4'-P energy: -71.818 bonds (distance) P-C4' energy: -68.877 flat angles C4'-P-C4' energy: -76.271 flat angles P-C4'-P energy: -37.234 tors. eta vs tors. theta energy: -62.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -754.916479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.916479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.916479 (E_RNA) where: Base-Base interactions energy: -455.475 where: short stacking energy: -231.691 Base-Backbone interact. energy: -0.198 local terms energy: -299.243402 where: bonds (distance) C4'-P energy: -67.506 bonds (distance) P-C4' energy: -69.613 flat angles C4'-P-C4' energy: -70.630 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: -42.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -481.052363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.052363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.052363 (E_RNA) where: Base-Base interactions energy: -216.164 where: short stacking energy: -146.485 Base-Backbone interact. energy: -0.231 local terms energy: -264.658061 where: bonds (distance) C4'-P energy: -90.393 bonds (distance) P-C4' energy: -72.627 flat angles C4'-P-C4' energy: -62.160 flat angles P-C4'-P energy: -35.755 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -435.887706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.887706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.887706 (E_RNA) where: Base-Base interactions energy: -213.269 where: short stacking energy: -121.301 Base-Backbone interact. energy: -2.474 local terms energy: -220.144430 where: bonds (distance) C4'-P energy: -76.949 bonds (distance) P-C4' energy: -60.877 flat angles C4'-P-C4' energy: -56.283 flat angles P-C4'-P energy: -28.217 tors. eta vs tors. theta energy: 2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1463.294795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.294795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.294795 (E_RNA) where: Base-Base interactions energy: -1025.406 where: short stacking energy: -410.877 Base-Backbone interact. energy: 3.198 local terms energy: -441.087430 where: bonds (distance) C4'-P energy: -87.727 bonds (distance) P-C4' energy: -86.944 flat angles C4'-P-C4' energy: -95.740 flat angles P-C4'-P energy: -60.611 tors. eta vs tors. theta energy: -110.066 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: 86 Temperature: 0.950000 Total energy: -1402.659851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.659851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.659851 (E_RNA) where: Base-Base interactions energy: -974.813 where: short stacking energy: -394.681 Base-Backbone interact. energy: -2.242 local terms energy: -425.604906 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -83.217 flat angles C4'-P-C4' energy: -89.039 flat angles P-C4'-P energy: -59.134 tors. eta vs tors. theta energy: -113.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1371.720784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.720784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.720784 (E_RNA) where: Base-Base interactions energy: -958.661 where: short stacking energy: -394.396 Base-Backbone interact. energy: -1.686 local terms energy: -411.373696 where: bonds (distance) C4'-P energy: -80.659 bonds (distance) P-C4' energy: -81.920 flat angles C4'-P-C4' energy: -92.228 flat angles P-C4'-P energy: -56.206 tors. eta vs tors. theta energy: -100.361 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: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1280.737064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.737064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.737064 (E_RNA) where: Base-Base interactions energy: -866.801 where: short stacking energy: -387.664 Base-Backbone interact. energy: -2.234 local terms energy: -411.701253 where: bonds (distance) C4'-P energy: -78.918 bonds (distance) P-C4' energy: -78.498 flat angles C4'-P-C4' energy: -87.837 flat angles P-C4'-P energy: -55.950 tors. eta vs tors. theta energy: -110.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1214.294044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.294044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.294044 (E_RNA) where: Base-Base interactions energy: -837.295 where: short stacking energy: -358.863 Base-Backbone interact. energy: -0.987 local terms energy: -376.011200 where: bonds (distance) C4'-P energy: -84.048 bonds (distance) P-C4' energy: -85.996 flat angles C4'-P-C4' energy: -70.062 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -85.601 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: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1130.294810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.294810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.294810 (E_RNA) where: Base-Base interactions energy: -781.301 where: short stacking energy: -327.366 Base-Backbone interact. energy: -0.516 local terms energy: -348.478273 where: bonds (distance) C4'-P energy: -67.817 bonds (distance) P-C4' energy: -72.393 flat angles C4'-P-C4' energy: -83.033 flat angles P-C4'-P energy: -49.935 tors. eta vs tors. theta energy: -75.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -958.530604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.530604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.530604 (E_RNA) where: Base-Base interactions energy: -620.457 where: short stacking energy: -279.660 Base-Backbone interact. energy: -0.465 local terms energy: -337.608456 where: bonds (distance) C4'-P energy: -65.030 bonds (distance) P-C4' energy: -82.952 flat angles C4'-P-C4' energy: -81.264 flat angles P-C4'-P energy: -36.909 tors. eta vs tors. theta energy: -71.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -726.631687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.631687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.631687 (E_RNA) where: Base-Base interactions energy: -409.128 where: short stacking energy: -202.252 Base-Backbone interact. energy: -0.691 local terms energy: -316.812866 where: bonds (distance) C4'-P energy: -72.795 bonds (distance) P-C4' energy: -89.788 flat angles C4'-P-C4' energy: -66.959 flat angles P-C4'-P energy: -44.783 tors. eta vs tors. theta energy: -42.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -466.270175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.270175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.270175 (E_RNA) where: Base-Base interactions energy: -207.849 where: short stacking energy: -134.906 Base-Backbone interact. energy: -0.417 local terms energy: -258.004004 where: bonds (distance) C4'-P energy: -78.841 bonds (distance) P-C4' energy: -71.146 flat angles C4'-P-C4' energy: -57.694 flat angles P-C4'-P energy: -38.779 tors. eta vs tors. theta energy: -11.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -417.153912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.153912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.153912 (E_RNA) where: Base-Base interactions energy: -197.955 where: short stacking energy: -127.336 Base-Backbone interact. energy: -3.789 local terms energy: -215.410284 where: bonds (distance) C4'-P energy: -75.386 bonds (distance) P-C4' energy: -70.962 flat angles C4'-P-C4' energy: -42.833 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: 11.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1472.254797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.254797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.254797 (E_RNA) where: Base-Base interactions energy: -1029.631 where: short stacking energy: -419.856 Base-Backbone interact. energy: -1.480 local terms energy: -441.143949 where: bonds (distance) C4'-P energy: -92.236 bonds (distance) P-C4' energy: -86.077 flat angles C4'-P-C4' energy: -102.670 flat angles P-C4'-P energy: -59.963 tors. eta vs tors. theta energy: -100.197 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: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1363.398746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.398746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.398746 (E_RNA) where: Base-Base interactions energy: -924.952 where: short stacking energy: -396.700 Base-Backbone interact. energy: -0.839 local terms energy: -437.607959 where: bonds (distance) C4'-P energy: -93.406 bonds (distance) P-C4' energy: -93.600 flat angles C4'-P-C4' energy: -78.913 flat angles P-C4'-P energy: -64.032 tors. eta vs tors. theta energy: -107.657 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: 7 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1343.648453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.648453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.648453 (E_RNA) where: Base-Base interactions energy: -922.372 where: short stacking energy: -395.142 Base-Backbone interact. energy: -2.536 local terms energy: -418.740443 where: bonds (distance) C4'-P energy: -84.506 bonds (distance) P-C4' energy: -80.926 flat angles C4'-P-C4' energy: -81.925 flat angles P-C4'-P energy: -58.726 tors. eta vs tors. theta energy: -112.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1329.880395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.880395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.880395 (E_RNA) where: Base-Base interactions energy: -894.773 where: short stacking energy: -404.339 Base-Backbone interact. energy: -2.785 local terms energy: -432.321983 where: bonds (distance) C4'-P energy: -77.914 bonds (distance) P-C4' energy: -88.736 flat angles C4'-P-C4' energy: -91.521 flat angles P-C4'-P energy: -65.080 tors. eta vs tors. theta energy: -109.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1223.412945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.412945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.412945 (E_RNA) where: Base-Base interactions energy: -832.648 where: short stacking energy: -357.401 Base-Backbone interact. energy: -1.944 local terms energy: -388.820979 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -90.079 flat angles C4'-P-C4' energy: -75.773 flat angles P-C4'-P energy: -45.734 tors. eta vs tors. theta energy: -94.824 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: 87 Temperature: 1.150000 Total energy: -1077.270044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.270044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.270044 (E_RNA) where: Base-Base interactions energy: -744.518 where: short stacking energy: -313.959 Base-Backbone interact. energy: -2.213 local terms energy: -330.539248 where: bonds (distance) C4'-P energy: -71.669 bonds (distance) P-C4' energy: -67.283 flat angles C4'-P-C4' energy: -73.962 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -71.794 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: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -931.020955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.020955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.020955 (E_RNA) where: Base-Base interactions energy: -615.369 where: short stacking energy: -289.677 Base-Backbone interact. energy: -0.429 local terms energy: -315.222428 where: bonds (distance) C4'-P energy: -67.607 bonds (distance) P-C4' energy: -71.389 flat angles C4'-P-C4' energy: -66.165 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: -61.460 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: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -671.207247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.207247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.207247 (E_RNA) where: Base-Base interactions energy: -403.272 where: short stacking energy: -206.885 Base-Backbone interact. energy: -3.246 local terms energy: -264.689312 where: bonds (distance) C4'-P energy: -69.128 bonds (distance) P-C4' energy: -81.035 flat angles C4'-P-C4' energy: -56.393 flat angles P-C4'-P energy: -38.179 tors. eta vs tors. theta energy: -19.953 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: 5 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -476.876769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.876769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.876769 (E_RNA) where: Base-Base interactions energy: -205.120 where: short stacking energy: -137.806 Base-Backbone interact. energy: -1.646 local terms energy: -270.111199 where: bonds (distance) C4'-P energy: -69.074 bonds (distance) P-C4' energy: -85.797 flat angles C4'-P-C4' energy: -51.839 flat angles P-C4'-P energy: -48.925 tors. eta vs tors. theta energy: -14.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -389.385485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.385485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.385485 (E_RNA) where: Base-Base interactions energy: -163.472 where: short stacking energy: -110.114 Base-Backbone interact. energy: -1.051 local terms energy: -224.863277 where: bonds (distance) C4'-P energy: -63.545 bonds (distance) P-C4' energy: -76.143 flat angles C4'-P-C4' energy: -60.353 flat angles P-C4'-P energy: -36.671 tors. eta vs tors. theta energy: 11.849 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: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1466.787530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.787530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.787530 (E_RNA) where: Base-Base interactions energy: -1024.412 where: short stacking energy: -409.028 Base-Backbone interact. energy: -3.053 local terms energy: -439.322162 where: bonds (distance) C4'-P energy: -85.958 bonds (distance) P-C4' energy: -75.571 flat angles C4'-P-C4' energy: -97.510 flat angles P-C4'-P energy: -71.067 tors. eta vs tors. theta energy: -109.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1429.113601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.113601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.113601 (E_RNA) where: Base-Base interactions energy: -982.133 where: short stacking energy: -428.582 Base-Backbone interact. energy: -0.709 local terms energy: -446.271204 where: bonds (distance) C4'-P energy: -77.350 bonds (distance) P-C4' energy: -85.433 flat angles C4'-P-C4' energy: -90.230 flat angles P-C4'-P energy: -75.636 tors. eta vs tors. theta energy: -117.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1357.953721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.953721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.953721 (E_RNA) where: Base-Base interactions energy: -963.063 where: short stacking energy: -414.847 Base-Backbone interact. energy: 0.749 local terms energy: -395.640243 where: bonds (distance) C4'-P energy: -74.443 bonds (distance) P-C4' energy: -71.408 flat angles C4'-P-C4' energy: -83.644 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -111.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1333.710748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.710748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.710748 (E_RNA) where: Base-Base interactions energy: -928.527 where: short stacking energy: -405.422 Base-Backbone interact. energy: -2.809 local terms energy: -402.374895 where: bonds (distance) C4'-P energy: -71.298 bonds (distance) P-C4' energy: -70.376 flat angles C4'-P-C4' energy: -93.356 flat angles P-C4'-P energy: -52.711 tors. eta vs tors. theta energy: -114.634 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: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1232.623225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.623225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.623225 (E_RNA) where: Base-Base interactions energy: -870.692 where: short stacking energy: -367.947 Base-Backbone interact. energy: 0.079 local terms energy: -362.009740 where: bonds (distance) C4'-P energy: -70.236 bonds (distance) P-C4' energy: -52.290 flat angles C4'-P-C4' energy: -91.037 flat angles P-C4'-P energy: -51.876 tors. eta vs tors. theta energy: -96.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1086.822914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.822914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.822914 (E_RNA) where: Base-Base interactions energy: -745.804 where: short stacking energy: -331.793 Base-Backbone interact. energy: 3.714 local terms energy: -344.733000 where: bonds (distance) C4'-P energy: -86.276 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -68.424 flat angles P-C4'-P energy: -36.461 tors. eta vs tors. theta energy: -84.990 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: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -917.846415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.846415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.846415 (E_RNA) where: Base-Base interactions energy: -575.002 where: short stacking energy: -267.659 Base-Backbone interact. energy: -1.685 local terms energy: -341.159281 where: bonds (distance) C4'-P energy: -74.039 bonds (distance) P-C4' energy: -83.020 flat angles C4'-P-C4' energy: -77.041 flat angles P-C4'-P energy: -48.579 tors. eta vs tors. theta energy: -58.480 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: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -659.516084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.516084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.516084 (E_RNA) where: Base-Base interactions energy: -357.244 where: short stacking energy: -185.638 Base-Backbone interact. energy: -1.426 local terms energy: -300.845520 where: bonds (distance) C4'-P energy: -68.207 bonds (distance) P-C4' energy: -86.201 flat angles C4'-P-C4' energy: -72.862 flat angles P-C4'-P energy: -51.761 tors. eta vs tors. theta energy: -21.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -405.797920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.797920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.797920 (E_RNA) where: Base-Base interactions energy: -172.529 where: short stacking energy: -147.242 Base-Backbone interact. energy: 3.343 local terms energy: -236.611720 where: bonds (distance) C4'-P energy: -61.948 bonds (distance) P-C4' energy: -65.189 flat angles C4'-P-C4' energy: -76.769 flat angles P-C4'-P energy: -41.438 tors. eta vs tors. theta energy: 8.732 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: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -445.427533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.427533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.427533 (E_RNA) where: Base-Base interactions energy: -223.496 where: short stacking energy: -128.162 Base-Backbone interact. energy: -0.624 local terms energy: -221.307230 where: bonds (distance) C4'-P energy: -77.140 bonds (distance) P-C4' energy: -63.948 flat angles C4'-P-C4' energy: -56.026 flat angles P-C4'-P energy: -29.018 tors. eta vs tors. theta energy: 4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1484.429107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.429107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.429107 (E_RNA) where: Base-Base interactions energy: -1032.152 where: short stacking energy: -410.937 Base-Backbone interact. energy: -2.109 local terms energy: -450.168067 where: bonds (distance) C4'-P energy: -84.672 bonds (distance) P-C4' energy: -93.015 flat angles C4'-P-C4' energy: -102.153 flat angles P-C4'-P energy: -62.154 tors. eta vs tors. theta energy: -108.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1388.209764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.209764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.209764 (E_RNA) where: Base-Base interactions energy: -937.496 where: short stacking energy: -418.248 Base-Backbone interact. energy: -2.151 local terms energy: -448.562094 where: bonds (distance) C4'-P energy: -86.313 bonds (distance) P-C4' energy: -83.254 flat angles C4'-P-C4' energy: -95.916 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -122.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1350.257920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.257920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.257920 (E_RNA) where: Base-Base interactions energy: -932.657 where: short stacking energy: -418.436 Base-Backbone interact. energy: 3.012 local terms energy: -420.612346 where: bonds (distance) C4'-P energy: -80.949 bonds (distance) P-C4' energy: -80.701 flat angles C4'-P-C4' energy: -92.124 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -113.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1261.992742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.992742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.992742 (E_RNA) where: Base-Base interactions energy: -864.200 where: short stacking energy: -356.113 Base-Backbone interact. energy: -2.037 local terms energy: -395.756562 where: bonds (distance) C4'-P energy: -71.857 bonds (distance) P-C4' energy: -82.372 flat angles C4'-P-C4' energy: -92.093 flat angles P-C4'-P energy: -55.084 tors. eta vs tors. theta energy: -94.352 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: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1266.388792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.388792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.388792 (E_RNA) where: Base-Base interactions energy: -873.574 where: short stacking energy: -361.339 Base-Backbone interact. energy: -2.583 local terms energy: -390.231229 where: bonds (distance) C4'-P energy: -64.989 bonds (distance) P-C4' energy: -84.279 flat angles C4'-P-C4' energy: -87.586 flat angles P-C4'-P energy: -57.071 tors. eta vs tors. theta energy: -96.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1090.562162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.562162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.562162 (E_RNA) where: Base-Base interactions energy: -717.909 where: short stacking energy: -323.321 Base-Backbone interact. energy: 0.561 local terms energy: -373.214240 where: bonds (distance) C4'-P energy: -82.553 bonds (distance) P-C4' energy: -82.326 flat angles C4'-P-C4' energy: -75.341 flat angles P-C4'-P energy: -53.662 tors. eta vs tors. theta energy: -79.331 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: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -937.682666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.682666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.682666 (E_RNA) where: Base-Base interactions energy: -590.337 where: short stacking energy: -269.263 Base-Backbone interact. energy: -2.340 local terms energy: -345.005758 where: bonds (distance) C4'-P energy: -77.164 bonds (distance) P-C4' energy: -85.962 flat angles C4'-P-C4' energy: -78.006 flat angles P-C4'-P energy: -48.741 tors. eta vs tors. theta energy: -55.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -672.189199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.189199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.189199 (E_RNA) where: Base-Base interactions energy: -388.678 where: short stacking energy: -217.062 Base-Backbone interact. energy: 3.035 local terms energy: -286.545604 where: bonds (distance) C4'-P energy: -71.843 bonds (distance) P-C4' energy: -55.391 flat angles C4'-P-C4' energy: -70.718 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: -32.577 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: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -480.644869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.644869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.644869 (E_RNA) where: Base-Base interactions energy: -220.385 where: short stacking energy: -130.090 Base-Backbone interact. energy: -1.476 local terms energy: -258.783059 where: bonds (distance) C4'-P energy: -60.068 bonds (distance) P-C4' energy: -87.881 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -41.511 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -334.054256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.054256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.054256 (E_RNA) where: Base-Base interactions energy: -148.164 where: short stacking energy: -91.268 Base-Backbone interact. energy: 2.632 local terms energy: -188.522358 where: bonds (distance) C4'-P energy: -78.659 bonds (distance) P-C4' energy: -66.172 flat angles C4'-P-C4' energy: -67.380 flat angles P-C4'-P energy: -15.317 tors. eta vs tors. theta energy: 39.005 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: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1479.474847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.474847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.474847 (E_RNA) where: Base-Base interactions energy: -1064.978 where: short stacking energy: -425.013 Base-Backbone interact. energy: 0.633 local terms energy: -415.130215 where: bonds (distance) C4'-P energy: -73.048 bonds (distance) P-C4' energy: -78.266 flat angles C4'-P-C4' energy: -95.336 flat angles P-C4'-P energy: -56.640 tors. eta vs tors. theta energy: -111.840 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: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1372.545756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.545756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.545756 (E_RNA) where: Base-Base interactions energy: -959.928 where: short stacking energy: -420.737 Base-Backbone interact. energy: -1.864 local terms energy: -410.753804 where: bonds (distance) C4'-P energy: -68.317 bonds (distance) P-C4' energy: -84.476 flat angles C4'-P-C4' energy: -88.583 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -110.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1371.867866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.867866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.867866 (E_RNA) where: Base-Base interactions energy: -926.293 where: short stacking energy: -412.319 Base-Backbone interact. energy: -1.573 local terms energy: -444.001805 where: bonds (distance) C4'-P energy: -78.115 bonds (distance) P-C4' energy: -89.324 flat angles C4'-P-C4' energy: -94.784 flat angles P-C4'-P energy: -71.692 tors. eta vs tors. theta energy: -110.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1332.095258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.095258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.095258 (E_RNA) where: Base-Base interactions energy: -926.510 where: short stacking energy: -394.779 Base-Backbone interact. energy: -1.748 local terms energy: -403.836846 where: bonds (distance) C4'-P energy: -72.252 bonds (distance) P-C4' energy: -81.067 flat angles C4'-P-C4' energy: -87.592 flat angles P-C4'-P energy: -57.395 tors. eta vs tors. theta energy: -105.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1253.154456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.154456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.154456 (E_RNA) where: Base-Base interactions energy: -872.112 where: short stacking energy: -365.204 Base-Backbone interact. energy: -3.417 local terms energy: -377.625523 where: bonds (distance) C4'-P energy: -68.116 bonds (distance) P-C4' energy: -84.978 flat angles C4'-P-C4' energy: -79.360 flat angles P-C4'-P energy: -49.870 tors. eta vs tors. theta energy: -95.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1141.582265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.582265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.582265 (E_RNA) where: Base-Base interactions energy: -783.099 where: short stacking energy: -347.836 Base-Backbone interact. energy: -3.303 local terms energy: -355.180487 where: bonds (distance) C4'-P energy: -68.478 bonds (distance) P-C4' energy: -73.095 flat angles C4'-P-C4' energy: -89.224 flat angles P-C4'-P energy: -37.837 tors. eta vs tors. theta energy: -86.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -941.993850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.993850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.993850 (E_RNA) where: Base-Base interactions energy: -597.696 where: short stacking energy: -268.956 Base-Backbone interact. energy: -0.598 local terms energy: -343.698961 where: bonds (distance) C4'-P energy: -74.904 bonds (distance) P-C4' energy: -89.840 flat angles C4'-P-C4' energy: -76.723 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -53.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -706.038123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.038123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.038123 (E_RNA) where: Base-Base interactions energy: -429.416 where: short stacking energy: -215.597 Base-Backbone interact. energy: -1.221 local terms energy: -275.400335 where: bonds (distance) C4'-P energy: -60.819 bonds (distance) P-C4' energy: -68.617 flat angles C4'-P-C4' energy: -69.498 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -29.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -465.362597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.362597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.362597 (E_RNA) where: Base-Base interactions energy: -206.399 where: short stacking energy: -136.655 Base-Backbone interact. energy: 5.448 local terms energy: -264.410982 where: bonds (distance) C4'-P energy: -65.227 bonds (distance) P-C4' energy: -66.854 flat angles C4'-P-C4' energy: -78.206 flat angles P-C4'-P energy: -35.381 tors. eta vs tors. theta energy: -18.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -392.457003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.457003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.457003 (E_RNA) where: Base-Base interactions energy: -152.922 where: short stacking energy: -109.363 Base-Backbone interact. energy: 1.480 local terms energy: -241.015406 where: bonds (distance) C4'-P energy: -69.436 bonds (distance) P-C4' energy: -77.848 flat angles C4'-P-C4' energy: -66.376 flat angles P-C4'-P energy: -33.572 tors. eta vs tors. theta energy: 6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1468.233663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.233663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.233663 (E_RNA) where: Base-Base interactions energy: -1037.626 where: short stacking energy: -414.593 Base-Backbone interact. energy: -3.153 local terms energy: -427.453892 where: bonds (distance) C4'-P energy: -82.435 bonds (distance) P-C4' energy: -81.768 flat angles C4'-P-C4' energy: -105.055 flat angles P-C4'-P energy: -50.601 tors. eta vs tors. theta energy: -107.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1403.686344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.686344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.686344 (E_RNA) where: Base-Base interactions energy: -972.038 where: short stacking energy: -411.820 Base-Backbone interact. energy: -0.304 local terms energy: -431.343641 where: bonds (distance) C4'-P energy: -70.718 bonds (distance) P-C4' energy: -84.067 flat angles C4'-P-C4' energy: -100.938 flat angles P-C4'-P energy: -60.234 tors. eta vs tors. theta energy: -115.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1368.359099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.359099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.359099 (E_RNA) where: Base-Base interactions energy: -934.471 where: short stacking energy: -405.852 Base-Backbone interact. energy: -0.895 local terms energy: -432.993071 where: bonds (distance) C4'-P energy: -82.370 bonds (distance) P-C4' energy: -90.694 flat angles C4'-P-C4' energy: -92.074 flat angles P-C4'-P energy: -61.199 tors. eta vs tors. theta energy: -106.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1313.261944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.261944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.261944 (E_RNA) where: Base-Base interactions energy: -910.713 where: short stacking energy: -366.441 Base-Backbone interact. energy: -2.215 local terms energy: -400.334273 where: bonds (distance) C4'-P energy: -66.468 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -90.567 flat angles P-C4'-P energy: -52.030 tors. eta vs tors. theta energy: -109.273 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: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1250.732187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.732187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.732187 (E_RNA) where: Base-Base interactions energy: -862.544 where: short stacking energy: -364.018 Base-Backbone interact. energy: -1.726 local terms energy: -386.462227 where: bonds (distance) C4'-P energy: -70.931 bonds (distance) P-C4' energy: -79.668 flat angles C4'-P-C4' energy: -89.391 flat angles P-C4'-P energy: -48.051 tors. eta vs tors. theta energy: -98.422 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: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1196.345702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.345702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.345702 (E_RNA) where: Base-Base interactions energy: -824.633 where: short stacking energy: -348.420 Base-Backbone interact. energy: -2.055 local terms energy: -369.657658 where: bonds (distance) C4'-P energy: -72.415 bonds (distance) P-C4' energy: -66.373 flat angles C4'-P-C4' energy: -86.286 flat angles P-C4'-P energy: -57.426 tors. eta vs tors. theta energy: -87.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -934.258156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.258156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.258156 (E_RNA) where: Base-Base interactions energy: -589.356 where: short stacking energy: -275.864 Base-Backbone interact. energy: 0.173 local terms energy: -345.074777 where: bonds (distance) C4'-P energy: -79.243 bonds (distance) P-C4' energy: -70.667 flat angles C4'-P-C4' energy: -76.598 flat angles P-C4'-P energy: -60.635 tors. eta vs tors. theta energy: -57.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -650.825823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.825823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.825823 (E_RNA) where: Base-Base interactions energy: -383.760 where: short stacking energy: -204.294 Base-Backbone interact. energy: -1.263 local terms energy: -265.802609 where: bonds (distance) C4'-P energy: -68.518 bonds (distance) P-C4' energy: -58.582 flat angles C4'-P-C4' energy: -67.330 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: -27.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -422.158743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.158743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.158743 (E_RNA) where: Base-Base interactions energy: -205.338 where: short stacking energy: -136.169 Base-Backbone interact. energy: -2.883 local terms energy: -213.945701 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -65.224 flat angles P-C4'-P energy: -26.279 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -345.914150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.914150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.914150 (E_RNA) where: Base-Base interactions energy: -123.078 where: short stacking energy: -117.000 Base-Backbone interact. energy: -1.393 local terms energy: -221.443034 where: bonds (distance) C4'-P energy: -61.515 bonds (distance) P-C4' energy: -72.942 flat angles C4'-P-C4' energy: -61.546 flat angles P-C4'-P energy: -31.829 tors. eta vs tors. theta energy: 6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1471.190147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.190147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.190147 (E_RNA) where: Base-Base interactions energy: -1052.201 where: short stacking energy: -418.670 Base-Backbone interact. energy: 0.104 local terms energy: -419.092779 where: bonds (distance) C4'-P energy: -88.395 bonds (distance) P-C4' energy: -88.084 flat angles C4'-P-C4' energy: -85.824 flat angles P-C4'-P energy: -62.089 tors. eta vs tors. theta energy: -94.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1413.544710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.544710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.544710 (E_RNA) where: Base-Base interactions energy: -989.690 where: short stacking energy: -421.202 Base-Backbone interact. energy: -0.969 local terms energy: -422.884927 where: bonds (distance) C4'-P energy: -75.920 bonds (distance) P-C4' energy: -82.678 flat angles C4'-P-C4' energy: -95.311 flat angles P-C4'-P energy: -54.981 tors. eta vs tors. theta energy: -113.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1363.446748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.446748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.446748 (E_RNA) where: Base-Base interactions energy: -957.794 where: short stacking energy: -400.703 Base-Backbone interact. energy: -1.422 local terms energy: -404.231069 where: bonds (distance) C4'-P energy: -61.387 bonds (distance) P-C4' energy: -75.160 flat angles C4'-P-C4' energy: -85.982 flat angles P-C4'-P energy: -65.837 tors. eta vs tors. theta energy: -115.864 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: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1301.061359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.061359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.061359 (E_RNA) where: Base-Base interactions energy: -907.618 where: short stacking energy: -366.262 Base-Backbone interact. energy: -3.031 local terms energy: -390.412740 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -74.678 flat angles C4'-P-C4' energy: -92.521 flat angles P-C4'-P energy: -52.765 tors. eta vs tors. theta energy: -94.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1236.960721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.960721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.960721 (E_RNA) where: Base-Base interactions energy: -840.741 where: short stacking energy: -349.154 Base-Backbone interact. energy: 0.871 local terms energy: -397.090770 where: bonds (distance) C4'-P energy: -82.611 bonds (distance) P-C4' energy: -86.149 flat angles C4'-P-C4' energy: -91.046 flat angles P-C4'-P energy: -48.114 tors. eta vs tors. theta energy: -89.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1183.636335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.636335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.636335 (E_RNA) where: Base-Base interactions energy: -807.113 where: short stacking energy: -336.012 Base-Backbone interact. energy: -1.526 local terms energy: -374.997314 where: bonds (distance) C4'-P energy: -53.488 bonds (distance) P-C4' energy: -90.593 flat angles C4'-P-C4' energy: -76.105 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -97.057 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: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -940.995433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.995433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.995433 (E_RNA) where: Base-Base interactions energy: -613.260 where: short stacking energy: -244.937 Base-Backbone interact. energy: 1.837 local terms energy: -329.572300 where: bonds (distance) C4'-P energy: -82.150 bonds (distance) P-C4' energy: -79.241 flat angles C4'-P-C4' energy: -76.100 flat angles P-C4'-P energy: -41.434 tors. eta vs tors. theta energy: -50.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -758.555366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.555366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.555366 (E_RNA) where: Base-Base interactions energy: -441.191 where: short stacking energy: -218.452 Base-Backbone interact. energy: -0.276 local terms energy: -317.087803 where: bonds (distance) C4'-P energy: -73.497 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -80.416 flat angles P-C4'-P energy: -51.868 tors. eta vs tors. theta energy: -47.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -387.983772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.983772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.983772 (E_RNA) where: Base-Base interactions energy: -153.478 where: short stacking energy: -94.222 Base-Backbone interact. energy: -1.138 local terms energy: -233.367505 where: bonds (distance) C4'-P energy: -73.345 bonds (distance) P-C4' energy: -72.157 flat angles C4'-P-C4' energy: -63.776 flat angles P-C4'-P energy: -40.170 tors. eta vs tors. theta energy: 16.080 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: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -402.918195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.918195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.918195 (E_RNA) where: Base-Base interactions energy: -141.157 where: short stacking energy: -116.535 Base-Backbone interact. energy: 1.555 local terms energy: -263.316679 where: bonds (distance) C4'-P energy: -80.428 bonds (distance) P-C4' energy: -79.195 flat angles C4'-P-C4' energy: -71.070 flat angles P-C4'-P energy: -38.294 tors. eta vs tors. theta energy: 5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1467.127578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.127578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.127578 (E_RNA) where: Base-Base interactions energy: -1041.459 where: short stacking energy: -430.039 Base-Backbone interact. energy: -4.114 local terms energy: -421.554713 where: bonds (distance) C4'-P energy: -87.876 bonds (distance) P-C4' energy: -84.739 flat angles C4'-P-C4' energy: -85.267 flat angles P-C4'-P energy: -58.783 tors. eta vs tors. theta energy: -104.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1387.333121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.333121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.333121 (E_RNA) where: Base-Base interactions energy: -938.364 where: short stacking energy: -393.373 Base-Backbone interact. energy: 1.732 local terms energy: -450.700791 where: bonds (distance) C4'-P energy: -85.425 bonds (distance) P-C4' energy: -92.900 flat angles C4'-P-C4' energy: -96.011 flat angles P-C4'-P energy: -62.799 tors. eta vs tors. theta energy: -113.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1378.100962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.100962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.100962 (E_RNA) where: Base-Base interactions energy: -958.949 where: short stacking energy: -406.360 Base-Backbone interact. energy: -3.599 local terms energy: -415.552587 where: bonds (distance) C4'-P energy: -81.966 bonds (distance) P-C4' energy: -87.505 flat angles C4'-P-C4' energy: -84.494 flat angles P-C4'-P energy: -51.296 tors. eta vs tors. theta energy: -110.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1289.135603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.135603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.135603 (E_RNA) where: Base-Base interactions energy: -876.389 where: short stacking energy: -365.904 Base-Backbone interact. energy: -2.655 local terms energy: -410.091741 where: bonds (distance) C4'-P energy: -81.088 bonds (distance) P-C4' energy: -81.023 flat angles C4'-P-C4' energy: -84.462 flat angles P-C4'-P energy: -64.428 tors. eta vs tors. theta energy: -99.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1234.934046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.934046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.934046 (E_RNA) where: Base-Base interactions energy: -869.671 where: short stacking energy: -356.469 Base-Backbone interact. energy: -2.812 local terms energy: -362.450390 where: bonds (distance) C4'-P energy: -60.398 bonds (distance) P-C4' energy: -83.836 flat angles C4'-P-C4' energy: -78.306 flat angles P-C4'-P energy: -52.293 tors. eta vs tors. theta energy: -87.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1200.873598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.873598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.873598 (E_RNA) where: Base-Base interactions energy: -815.597 where: short stacking energy: -342.807 Base-Backbone interact. energy: 0.601 local terms energy: -385.876820 where: bonds (distance) C4'-P energy: -66.577 bonds (distance) P-C4' energy: -74.472 flat angles C4'-P-C4' energy: -90.473 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -94.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -919.955000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.955000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.955000 (E_RNA) where: Base-Base interactions energy: -584.155 where: short stacking energy: -287.688 Base-Backbone interact. energy: -2.983 local terms energy: -332.816779 where: bonds (distance) C4'-P energy: -64.830 bonds (distance) P-C4' energy: -78.913 flat angles C4'-P-C4' energy: -74.448 flat angles P-C4'-P energy: -52.440 tors. eta vs tors. theta energy: -62.187 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: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -643.120706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.120706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.120706 (E_RNA) where: Base-Base interactions energy: -369.093 where: short stacking energy: -211.119 Base-Backbone interact. energy: 4.126 local terms energy: -278.153884 where: bonds (distance) C4'-P energy: -72.469 bonds (distance) P-C4' energy: -66.471 flat angles C4'-P-C4' energy: -57.511 flat angles P-C4'-P energy: -51.813 tors. eta vs tors. theta energy: -29.890 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: 5 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -444.532431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.532431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.532431 (E_RNA) where: Base-Base interactions energy: -187.463 where: short stacking energy: -130.192 Base-Backbone interact. energy: -1.430 local terms energy: -255.639743 where: bonds (distance) C4'-P energy: -81.275 bonds (distance) P-C4' energy: -87.573 flat angles C4'-P-C4' energy: -59.095 flat angles P-C4'-P energy: -40.693 tors. eta vs tors. theta energy: 12.996 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: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -367.265528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.265528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.265528 (E_RNA) where: Base-Base interactions energy: -170.000 where: short stacking energy: -110.689 Base-Backbone interact. energy: -1.154 local terms energy: -196.112145 where: bonds (distance) C4'-P energy: -55.415 bonds (distance) P-C4' energy: -70.926 flat angles C4'-P-C4' energy: -54.560 flat angles P-C4'-P energy: -29.643 tors. eta vs tors. theta energy: 14.432 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: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1459.941837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.941837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.941837 (E_RNA) where: Base-Base interactions energy: -1035.844 where: short stacking energy: -426.452 Base-Backbone interact. energy: -2.181 local terms energy: -421.916626 where: bonds (distance) C4'-P energy: -85.868 bonds (distance) P-C4' energy: -77.146 flat angles C4'-P-C4' energy: -92.104 flat angles P-C4'-P energy: -60.787 tors. eta vs tors. theta energy: -106.012 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: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1382.199561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.199561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.199561 (E_RNA) where: Base-Base interactions energy: -951.171 where: short stacking energy: -423.467 Base-Backbone interact. energy: 4.328 local terms energy: -435.356031 where: bonds (distance) C4'-P energy: -75.407 bonds (distance) P-C4' energy: -90.664 flat angles C4'-P-C4' energy: -90.926 flat angles P-C4'-P energy: -62.014 tors. eta vs tors. theta energy: -116.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1377.754524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.754524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.754524 (E_RNA) where: Base-Base interactions energy: -946.273 where: short stacking energy: -413.646 Base-Backbone interact. energy: -3.638 local terms energy: -427.843884 where: bonds (distance) C4'-P energy: -87.576 bonds (distance) P-C4' energy: -73.218 flat angles C4'-P-C4' energy: -87.937 flat angles P-C4'-P energy: -58.906 tors. eta vs tors. theta energy: -120.206 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: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1269.068281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.068281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.068281 (E_RNA) where: Base-Base interactions energy: -883.521 where: short stacking energy: -373.942 Base-Backbone interact. energy: -0.850 local terms energy: -384.697413 where: bonds (distance) C4'-P energy: -83.852 bonds (distance) P-C4' energy: -78.211 flat angles C4'-P-C4' energy: -77.008 flat angles P-C4'-P energy: -48.589 tors. eta vs tors. theta energy: -97.037 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1236.484337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.484337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.484337 (E_RNA) where: Base-Base interactions energy: -831.530 where: short stacking energy: -372.110 Base-Backbone interact. energy: -2.822 local terms energy: -402.132869 where: bonds (distance) C4'-P energy: -68.156 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -91.411 flat angles P-C4'-P energy: -49.290 tors. eta vs tors. theta energy: -98.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1217.353692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.353692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.353692 (E_RNA) where: Base-Base interactions energy: -845.271 where: short stacking energy: -356.825 Base-Backbone interact. energy: -0.339 local terms energy: -371.744437 where: bonds (distance) C4'-P energy: -67.550 bonds (distance) P-C4' energy: -85.549 flat angles C4'-P-C4' energy: -78.207 flat angles P-C4'-P energy: -52.398 tors. eta vs tors. theta energy: -88.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1010.227416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.227416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.227416 (E_RNA) where: Base-Base interactions energy: -690.097 where: short stacking energy: -305.653 Base-Backbone interact. energy: -0.663 local terms energy: -319.466934 where: bonds (distance) C4'-P energy: -76.812 bonds (distance) P-C4' energy: -56.319 flat angles C4'-P-C4' energy: -73.330 flat angles P-C4'-P energy: -39.379 tors. eta vs tors. theta energy: -73.628 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: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -641.965192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.965192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.965192 (E_RNA) where: Base-Base interactions energy: -371.439 where: short stacking energy: -186.765 Base-Backbone interact. energy: -0.250 local terms energy: -270.276142 where: bonds (distance) C4'-P energy: -67.671 bonds (distance) P-C4' energy: -73.641 flat angles C4'-P-C4' energy: -70.447 flat angles P-C4'-P energy: -39.862 tors. eta vs tors. theta energy: -18.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -466.557914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.557914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.557914 (E_RNA) where: Base-Base interactions energy: -196.935 where: short stacking energy: -119.287 Base-Backbone interact. energy: 2.435 local terms energy: -272.057580 where: bonds (distance) C4'-P energy: -65.679 bonds (distance) P-C4' energy: -78.154 flat angles C4'-P-C4' energy: -76.880 flat angles P-C4'-P energy: -48.778 tors. eta vs tors. theta energy: -2.567 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: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -354.583031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.583031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.583031 (E_RNA) where: Base-Base interactions energy: -140.655 where: short stacking energy: -81.412 Base-Backbone interact. energy: -0.437 local terms energy: -213.490766 where: bonds (distance) C4'-P energy: -64.629 bonds (distance) P-C4' energy: -73.080 flat angles C4'-P-C4' energy: -55.818 flat angles P-C4'-P energy: -32.610 tors. eta vs tors. theta energy: 12.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1470.837469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.837469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.837469 (E_RNA) where: Base-Base interactions energy: -1036.097 where: short stacking energy: -426.353 Base-Backbone interact. energy: -1.233 local terms energy: -433.507562 where: bonds (distance) C4'-P energy: -87.385 bonds (distance) P-C4' energy: -90.882 flat angles C4'-P-C4' energy: -94.430 flat angles P-C4'-P energy: -59.219 tors. eta vs tors. theta energy: -101.591 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: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1382.542129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.542129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.542129 (E_RNA) where: Base-Base interactions energy: -946.698 where: short stacking energy: -426.729 Base-Backbone interact. energy: 0.440 local terms energy: -436.284762 where: bonds (distance) C4'-P energy: -81.818 bonds (distance) P-C4' energy: -86.495 flat angles C4'-P-C4' energy: -94.579 flat angles P-C4'-P energy: -65.308 tors. eta vs tors. theta energy: -108.084 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: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1384.710574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.710574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.710574 (E_RNA) where: Base-Base interactions energy: -964.077 where: short stacking energy: -423.446 Base-Backbone interact. energy: -2.047 local terms energy: -418.586562 where: bonds (distance) C4'-P energy: -78.174 bonds (distance) P-C4' energy: -72.022 flat angles C4'-P-C4' energy: -94.858 flat angles P-C4'-P energy: -52.641 tors. eta vs tors. theta energy: -120.893 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: 95 Temperature: 1.050000 Total energy: -1259.975371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.975371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.975371 (E_RNA) where: Base-Base interactions energy: -875.230 where: short stacking energy: -357.796 Base-Backbone interact. energy: -4.050 local terms energy: -380.695248 where: bonds (distance) C4'-P energy: -66.374 bonds (distance) P-C4' energy: -84.867 flat angles C4'-P-C4' energy: -77.015 flat angles P-C4'-P energy: -59.188 tors. eta vs tors. theta energy: -93.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1224.064353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.064353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.064353 (E_RNA) where: Base-Base interactions energy: -849.807 where: short stacking energy: -379.496 Base-Backbone interact. energy: -1.214 local terms energy: -373.043098 where: bonds (distance) C4'-P energy: -65.015 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -89.579 flat angles P-C4'-P energy: -55.223 tors. eta vs tors. theta energy: -93.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1156.435027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.435027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.435027 (E_RNA) where: Base-Base interactions energy: -805.017 where: short stacking energy: -348.499 Base-Backbone interact. energy: -2.750 local terms energy: -348.668235 where: bonds (distance) C4'-P energy: -59.086 bonds (distance) P-C4' energy: -81.770 flat angles C4'-P-C4' energy: -79.681 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -78.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1031.705839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.705839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.705839 (E_RNA) where: Base-Base interactions energy: -672.637 where: short stacking energy: -301.999 Base-Backbone interact. energy: -1.469 local terms energy: -357.599364 where: bonds (distance) C4'-P energy: -62.923 bonds (distance) P-C4' energy: -77.633 flat angles C4'-P-C4' energy: -83.130 flat angles P-C4'-P energy: -53.713 tors. eta vs tors. theta energy: -80.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -692.840563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.840563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.840563 (E_RNA) where: Base-Base interactions energy: -395.158 where: short stacking energy: -186.571 Base-Backbone interact. energy: -1.446 local terms energy: -296.236115 where: bonds (distance) C4'-P energy: -64.408 bonds (distance) P-C4' energy: -77.913 flat angles C4'-P-C4' energy: -69.934 flat angles P-C4'-P energy: -51.174 tors. eta vs tors. theta energy: -32.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -466.948344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.948344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.948344 (E_RNA) where: Base-Base interactions energy: -206.732 where: short stacking energy: -138.748 Base-Backbone interact. energy: 3.435 local terms energy: -263.650531 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -82.254 flat angles C4'-P-C4' energy: -58.096 flat angles P-C4'-P energy: -44.163 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: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -384.738920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.738920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.738920 (E_RNA) where: Base-Base interactions energy: -152.424 where: short stacking energy: -97.498 Base-Backbone interact. energy: -1.029 local terms energy: -231.286455 where: bonds (distance) C4'-P energy: -72.676 bonds (distance) P-C4' energy: -77.969 flat angles C4'-P-C4' energy: -60.628 flat angles P-C4'-P energy: -28.607 tors. eta vs tors. theta energy: 8.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1449.403728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.403728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.403728 (E_RNA) where: Base-Base interactions energy: -1017.203 where: short stacking energy: -408.743 Base-Backbone interact. energy: -0.807 local terms energy: -431.393487 where: bonds (distance) C4'-P energy: -70.584 bonds (distance) P-C4' energy: -91.536 flat angles C4'-P-C4' energy: -97.085 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -101.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1409.649641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.649641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.649641 (E_RNA) where: Base-Base interactions energy: -984.368 where: short stacking energy: -423.561 Base-Backbone interact. energy: 0.165 local terms energy: -425.446277 where: bonds (distance) C4'-P energy: -63.141 bonds (distance) P-C4' energy: -87.517 flat angles C4'-P-C4' energy: -94.450 flat angles P-C4'-P energy: -62.110 tors. eta vs tors. theta energy: -118.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1362.112033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.112033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.112033 (E_RNA) where: Base-Base interactions energy: -953.250 where: short stacking energy: -386.427 Base-Backbone interact. energy: -2.548 local terms energy: -406.313783 where: bonds (distance) C4'-P energy: -70.101 bonds (distance) P-C4' energy: -89.348 flat angles C4'-P-C4' energy: -85.134 flat angles P-C4'-P energy: -56.856 tors. eta vs tors. theta energy: -104.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1247.607801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.607801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.607801 (E_RNA) where: Base-Base interactions energy: -857.510 where: short stacking energy: -338.093 Base-Backbone interact. energy: -2.842 local terms energy: -387.256305 where: bonds (distance) C4'-P energy: -70.073 bonds (distance) P-C4' energy: -85.576 flat angles C4'-P-C4' energy: -84.046 flat angles P-C4'-P energy: -55.224 tors. eta vs tors. theta energy: -92.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1186.853728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.853728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.853728 (E_RNA) where: Base-Base interactions energy: -822.947 where: short stacking energy: -350.078 Base-Backbone interact. energy: -0.586 local terms energy: -363.320754 where: bonds (distance) C4'-P energy: -73.341 bonds (distance) P-C4' energy: -67.948 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -57.729 tors. eta vs tors. theta energy: -84.408 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: 96 Temperature: 1.150000 Total energy: -1180.907051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.907051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.907051 (E_RNA) where: Base-Base interactions energy: -810.482 where: short stacking energy: -330.002 Base-Backbone interact. energy: 4.060 local terms energy: -374.484896 where: bonds (distance) C4'-P energy: -77.673 bonds (distance) P-C4' energy: -73.006 flat angles C4'-P-C4' energy: -84.442 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -91.881 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: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -986.349829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.349829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.349829 (E_RNA) where: Base-Base interactions energy: -673.627 where: short stacking energy: -287.957 Base-Backbone interact. energy: 0.186 local terms energy: -312.908399 where: bonds (distance) C4'-P energy: -63.223 bonds (distance) P-C4' energy: -77.111 flat angles C4'-P-C4' energy: -73.629 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: -63.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -701.663633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.663633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.663633 (E_RNA) where: Base-Base interactions energy: -409.784 where: short stacking energy: -210.439 Base-Backbone interact. energy: -0.003 local terms energy: -291.876521 where: bonds (distance) C4'-P energy: -70.071 bonds (distance) P-C4' energy: -69.023 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: -32.193 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: 5 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -433.351075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.351075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.351075 (E_RNA) where: Base-Base interactions energy: -187.919 where: short stacking energy: -126.182 Base-Backbone interact. energy: 0.813 local terms energy: -246.244264 where: bonds (distance) C4'-P energy: -56.279 bonds (distance) P-C4' energy: -71.619 flat angles C4'-P-C4' energy: -69.114 flat angles P-C4'-P energy: -51.519 tors. eta vs tors. theta energy: 2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -361.698405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.698405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.698405 (E_RNA) where: Base-Base interactions energy: -148.016 where: short stacking energy: -116.628 Base-Backbone interact. energy: 0.642 local terms energy: -214.324597 where: bonds (distance) C4'-P energy: -70.328 bonds (distance) P-C4' energy: -68.284 flat angles C4'-P-C4' energy: -51.509 flat angles P-C4'-P energy: -28.771 tors. eta vs tors. theta energy: 4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1472.255417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.255417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.255417 (E_RNA) where: Base-Base interactions energy: -1037.786 where: short stacking energy: -432.360 Base-Backbone interact. energy: -3.807 local terms energy: -430.662562 where: bonds (distance) C4'-P energy: -79.454 bonds (distance) P-C4' energy: -85.043 flat angles C4'-P-C4' energy: -96.856 flat angles P-C4'-P energy: -64.951 tors. eta vs tors. theta energy: -104.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1397.009779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.009779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.009779 (E_RNA) where: Base-Base interactions energy: -990.039 where: short stacking energy: -427.956 Base-Backbone interact. energy: -3.740 local terms energy: -403.231005 where: bonds (distance) C4'-P energy: -79.539 bonds (distance) P-C4' energy: -73.342 flat angles C4'-P-C4' energy: -85.871 flat angles P-C4'-P energy: -51.320 tors. eta vs tors. theta energy: -113.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1395.627971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.627971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.627971 (E_RNA) where: Base-Base interactions energy: -966.375 where: short stacking energy: -406.614 Base-Backbone interact. energy: -1.754 local terms energy: -427.499275 where: bonds (distance) C4'-P energy: -78.302 bonds (distance) P-C4' energy: -87.596 flat angles C4'-P-C4' energy: -86.831 flat angles P-C4'-P energy: -66.890 tors. eta vs tors. theta energy: -107.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1269.343968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.343968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.343968 (E_RNA) where: Base-Base interactions energy: -895.074 where: short stacking energy: -359.613 Base-Backbone interact. energy: -0.595 local terms energy: -373.675043 where: bonds (distance) C4'-P energy: -75.051 bonds (distance) P-C4' energy: -87.032 flat angles C4'-P-C4' energy: -79.047 flat angles P-C4'-P energy: -42.337 tors. eta vs tors. theta energy: -90.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1186.700789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.700789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.700789 (E_RNA) where: Base-Base interactions energy: -814.972 where: short stacking energy: -350.164 Base-Backbone interact. energy: 0.366 local terms energy: -372.094379 where: bonds (distance) C4'-P energy: -60.998 bonds (distance) P-C4' energy: -83.389 flat angles C4'-P-C4' energy: -87.087 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: -86.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1137.588295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.588295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.588295 (E_RNA) where: Base-Base interactions energy: -780.899 where: short stacking energy: -308.840 Base-Backbone interact. energy: -2.166 local terms energy: -354.523466 where: bonds (distance) C4'-P energy: -72.296 bonds (distance) P-C4' energy: -78.065 flat angles C4'-P-C4' energy: -83.635 flat angles P-C4'-P energy: -51.053 tors. eta vs tors. theta energy: -69.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -981.627355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.627355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.627355 (E_RNA) where: Base-Base interactions energy: -651.321 where: short stacking energy: -276.578 Base-Backbone interact. energy: 2.573 local terms energy: -333.793776 where: bonds (distance) C4'-P energy: -69.471 bonds (distance) P-C4' energy: -81.325 flat angles C4'-P-C4' energy: -67.576 flat angles P-C4'-P energy: -50.957 tors. eta vs tors. theta energy: -64.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.914 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -727.387879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.387879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.387879 (E_RNA) where: Base-Base interactions energy: -434.670 where: short stacking energy: -208.290 Base-Backbone interact. energy: 2.106 local terms energy: -294.824017 where: bonds (distance) C4'-P energy: -67.016 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -64.646 flat angles P-C4'-P energy: -53.305 tors. eta vs tors. theta energy: -28.175 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: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -436.530433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.530433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.530433 (E_RNA) where: Base-Base interactions energy: -220.974 where: short stacking energy: -137.037 Base-Backbone interact. energy: -0.959 local terms energy: -214.597661 where: bonds (distance) C4'-P energy: -54.872 bonds (distance) P-C4' energy: -72.002 flat angles C4'-P-C4' energy: -48.073 flat angles P-C4'-P energy: -36.285 tors. eta vs tors. theta energy: -3.366 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: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -341.113932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.113932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.113932 (E_RNA) where: Base-Base interactions energy: -113.649 where: short stacking energy: -89.855 Base-Backbone interact. energy: -3.472 local terms energy: -223.993521 where: bonds (distance) C4'-P energy: -71.420 bonds (distance) P-C4' energy: -72.702 flat angles C4'-P-C4' energy: -56.424 flat angles P-C4'-P energy: -35.212 tors. eta vs tors. theta energy: 11.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1460.767170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.767170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.767170 (E_RNA) where: Base-Base interactions energy: -1027.192 where: short stacking energy: -425.658 Base-Backbone interact. energy: -1.864 local terms energy: -431.710729 where: bonds (distance) C4'-P energy: -78.187 bonds (distance) P-C4' energy: -78.705 flat angles C4'-P-C4' energy: -99.444 flat angles P-C4'-P energy: -72.286 tors. eta vs tors. theta energy: -103.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1438.692381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.692381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.692381 (E_RNA) where: Base-Base interactions energy: -998.045 where: short stacking energy: -423.366 Base-Backbone interact. energy: 0.654 local terms energy: -441.301463 where: bonds (distance) C4'-P energy: -86.035 bonds (distance) P-C4' energy: -80.310 flat angles C4'-P-C4' energy: -92.394 flat angles P-C4'-P energy: -60.458 tors. eta vs tors. theta energy: -122.105 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: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1392.735698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.735698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.735698 (E_RNA) where: Base-Base interactions energy: -948.544 where: short stacking energy: -413.219 Base-Backbone interact. energy: 1.419 local terms energy: -445.610882 where: bonds (distance) C4'-P energy: -77.946 bonds (distance) P-C4' energy: -90.005 flat angles C4'-P-C4' energy: -98.758 flat angles P-C4'-P energy: -66.250 tors. eta vs tors. theta energy: -112.652 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: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1244.781277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.781277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.781277 (E_RNA) where: Base-Base interactions energy: -858.616 where: short stacking energy: -347.639 Base-Backbone interact. energy: -2.053 local terms energy: -384.113059 where: bonds (distance) C4'-P energy: -69.087 bonds (distance) P-C4' energy: -81.685 flat angles C4'-P-C4' energy: -87.814 flat angles P-C4'-P energy: -55.725 tors. eta vs tors. theta energy: -89.801 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: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1203.790590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.790590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.790590 (E_RNA) where: Base-Base interactions energy: -824.643 where: short stacking energy: -346.267 Base-Backbone interact. energy: 0.631 local terms energy: -379.778188 where: bonds (distance) C4'-P energy: -74.783 bonds (distance) P-C4' energy: -65.121 flat angles C4'-P-C4' energy: -92.271 flat angles P-C4'-P energy: -61.200 tors. eta vs tors. theta energy: -86.402 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: 98 Temperature: 1.150000 Total energy: -1111.279868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.279868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.279868 (E_RNA) where: Base-Base interactions energy: -741.422 where: short stacking energy: -324.377 Base-Backbone interact. energy: 1.821 local terms energy: -371.679061 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -79.202 flat angles C4'-P-C4' energy: -82.245 flat angles P-C4'-P energy: -50.589 tors. eta vs tors. theta energy: -76.088 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: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1007.776060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.776060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.776060 (E_RNA) where: Base-Base interactions energy: -669.523 where: short stacking energy: -307.647 Base-Backbone interact. energy: 5.225 local terms energy: -343.478641 where: bonds (distance) C4'-P energy: -77.464 bonds (distance) P-C4' energy: -67.634 flat angles C4'-P-C4' energy: -81.415 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -68.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -729.014304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.014304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.014304 (E_RNA) where: Base-Base interactions energy: -445.943 where: short stacking energy: -205.242 Base-Backbone interact. energy: -1.047 local terms energy: -282.024372 where: bonds (distance) C4'-P energy: -69.001 bonds (distance) P-C4' energy: -70.694 flat angles C4'-P-C4' energy: -64.333 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -33.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -541.527126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.527126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.527126 (E_RNA) where: Base-Base interactions energy: -282.261 where: short stacking energy: -200.728 Base-Backbone interact. energy: -0.766 local terms energy: -258.499826 where: bonds (distance) C4'-P energy: -61.544 bonds (distance) P-C4' energy: -70.544 flat angles C4'-P-C4' energy: -63.158 flat angles P-C4'-P energy: -36.146 tors. eta vs tors. theta energy: -27.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -379.205575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.205575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.205575 (E_RNA) where: Base-Base interactions energy: -126.151 where: short stacking energy: -89.668 Base-Backbone interact. energy: -1.287 local terms energy: -251.768132 where: bonds (distance) C4'-P energy: -76.171 bonds (distance) P-C4' energy: -71.722 flat angles C4'-P-C4' energy: -58.714 flat angles P-C4'-P energy: -43.031 tors. eta vs tors. theta energy: -2.131 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: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1460.624027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.624027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.624027 (E_RNA) where: Base-Base interactions energy: -1030.723 where: short stacking energy: -422.498 Base-Backbone interact. energy: -3.966 local terms energy: -425.934891 where: bonds (distance) C4'-P energy: -76.996 bonds (distance) P-C4' energy: -77.973 flat angles C4'-P-C4' energy: -97.552 flat angles P-C4'-P energy: -64.063 tors. eta vs tors. theta energy: -109.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1428.286075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.286075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.286075 (E_RNA) where: Base-Base interactions energy: -992.102 where: short stacking energy: -412.527 Base-Backbone interact. energy: 0.641 local terms energy: -436.825419 where: bonds (distance) C4'-P energy: -78.867 bonds (distance) P-C4' energy: -86.615 flat angles C4'-P-C4' energy: -90.789 flat angles P-C4'-P energy: -61.642 tors. eta vs tors. theta energy: -118.913 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: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1360.600033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.600033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.600033 (E_RNA) where: Base-Base interactions energy: -931.867 where: short stacking energy: -406.576 Base-Backbone interact. energy: -0.920 local terms energy: -427.812756 where: bonds (distance) C4'-P energy: -91.397 bonds (distance) P-C4' energy: -78.097 flat angles C4'-P-C4' energy: -85.838 flat angles P-C4'-P energy: -60.422 tors. eta vs tors. theta energy: -112.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1290.257310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.257310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.257310 (E_RNA) where: Base-Base interactions energy: -905.820 where: short stacking energy: -354.120 Base-Backbone interact. energy: -1.106 local terms energy: -383.330840 where: bonds (distance) C4'-P energy: -72.308 bonds (distance) P-C4' energy: -84.115 flat angles C4'-P-C4' energy: -80.141 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -97.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1205.007644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.007644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.007644 (E_RNA) where: Base-Base interactions energy: -826.953 where: short stacking energy: -330.396 Base-Backbone interact. energy: -3.433 local terms energy: -374.621848 where: bonds (distance) C4'-P energy: -80.661 bonds (distance) P-C4' energy: -74.954 flat angles C4'-P-C4' energy: -90.472 flat angles P-C4'-P energy: -48.591 tors. eta vs tors. theta energy: -79.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1144.128555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.128555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.128555 (E_RNA) where: Base-Base interactions energy: -774.229 where: short stacking energy: -347.041 Base-Backbone interact. energy: -2.777 local terms energy: -367.122441 where: bonds (distance) C4'-P energy: -71.095 bonds (distance) P-C4' energy: -79.467 flat angles C4'-P-C4' energy: -75.375 flat angles P-C4'-P energy: -49.403 tors. eta vs tors. theta energy: -91.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -982.412547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.412547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.412547 (E_RNA) where: Base-Base interactions energy: -665.686 where: short stacking energy: -304.126 Base-Backbone interact. energy: -1.727 local terms energy: -314.999045 where: bonds (distance) C4'-P energy: -58.000 bonds (distance) P-C4' energy: -73.102 flat angles C4'-P-C4' energy: -69.574 flat angles P-C4'-P energy: -38.691 tors. eta vs tors. theta energy: -75.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -799.906966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.906966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.906966 (E_RNA) where: Base-Base interactions energy: -477.754 where: short stacking energy: -227.969 Base-Backbone interact. energy: -2.445 local terms energy: -319.708138 where: bonds (distance) C4'-P energy: -79.621 bonds (distance) P-C4' energy: -63.954 flat angles C4'-P-C4' energy: -69.244 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: -48.396 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: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -565.923809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.923809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.923809 (E_RNA) where: Base-Base interactions energy: -300.698 where: short stacking energy: -154.987 Base-Backbone interact. energy: 1.667 local terms energy: -266.893488 where: bonds (distance) C4'-P energy: -72.602 bonds (distance) P-C4' energy: -76.059 flat angles C4'-P-C4' energy: -64.214 flat angles P-C4'-P energy: -43.991 tors. eta vs tors. theta energy: -10.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -352.852281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.852281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.852281 (E_RNA) where: Base-Base interactions energy: -147.212 where: short stacking energy: -115.119 Base-Backbone interact. energy: 1.158 local terms energy: -206.797890 where: bonds (distance) C4'-P energy: -56.531 bonds (distance) P-C4' energy: -59.849 flat angles C4'-P-C4' energy: -63.292 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: 13.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1488.883022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.883022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.883022 (E_RNA) where: Base-Base interactions energy: -1058.348 where: short stacking energy: -420.903 Base-Backbone interact. energy: 3.812 local terms energy: -434.347076 where: bonds (distance) C4'-P energy: -85.686 bonds (distance) P-C4' energy: -82.812 flat angles C4'-P-C4' energy: -91.557 flat angles P-C4'-P energy: -64.952 tors. eta vs tors. theta energy: -109.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1435.707026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.707026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.707026 (E_RNA) where: Base-Base interactions energy: -1027.993 where: short stacking energy: -415.692 Base-Backbone interact. energy: -2.882 local terms energy: -404.832133 where: bonds (distance) C4'-P energy: -67.129 bonds (distance) P-C4' energy: -81.838 flat angles C4'-P-C4' energy: -86.744 flat angles P-C4'-P energy: -58.551 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: 3, replica: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1376.029072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.029072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.029072 (E_RNA) where: Base-Base interactions energy: -951.621 where: short stacking energy: -408.958 Base-Backbone interact. energy: -1.416 local terms energy: -422.991289 where: bonds (distance) C4'-P energy: -79.448 bonds (distance) P-C4' energy: -67.681 flat angles C4'-P-C4' energy: -94.689 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -114.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1302.274411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.274411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.274411 (E_RNA) where: Base-Base interactions energy: -936.988 where: short stacking energy: -378.211 Base-Backbone interact. energy: -0.037 local terms energy: -365.249573 where: bonds (distance) C4'-P energy: -71.470 bonds (distance) P-C4' energy: -72.199 flat angles C4'-P-C4' energy: -82.141 flat angles P-C4'-P energy: -47.836 tors. eta vs tors. theta energy: -91.604 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: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1168.110020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.110020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.110020 (E_RNA) where: Base-Base interactions energy: -782.845 where: short stacking energy: -335.564 Base-Backbone interact. energy: -1.486 local terms energy: -383.778423 where: bonds (distance) C4'-P energy: -70.031 bonds (distance) P-C4' energy: -84.272 flat angles C4'-P-C4' energy: -85.897 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: -97.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1090.812713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.812713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.812713 (E_RNA) where: Base-Base interactions energy: -733.281 where: short stacking energy: -307.978 Base-Backbone interact. energy: -2.112 local terms energy: -355.419462 where: bonds (distance) C4'-P energy: -80.054 bonds (distance) P-C4' energy: -82.742 flat angles C4'-P-C4' energy: -75.451 flat angles P-C4'-P energy: -47.137 tors. eta vs tors. theta energy: -70.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -997.847604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.847604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.847604 (E_RNA) where: Base-Base interactions energy: -656.221 where: short stacking energy: -286.862 Base-Backbone interact. energy: -1.637 local terms energy: -339.989683 where: bonds (distance) C4'-P energy: -66.898 bonds (distance) P-C4' energy: -70.330 flat angles C4'-P-C4' energy: -78.382 flat angles P-C4'-P energy: -51.495 tors. eta vs tors. theta energy: -72.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -903.886887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.886887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.886887 (E_RNA) where: Base-Base interactions energy: -579.689 where: short stacking energy: -259.406 Base-Backbone interact. energy: -1.698 local terms energy: -322.500169 where: bonds (distance) C4'-P energy: -79.604 bonds (distance) P-C4' energy: -80.942 flat angles C4'-P-C4' energy: -82.413 flat angles P-C4'-P energy: -28.470 tors. eta vs tors. theta energy: -51.070 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: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -598.107079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.107079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.107079 (E_RNA) where: Base-Base interactions energy: -308.124 where: short stacking energy: -168.399 Base-Backbone interact. energy: -2.039 local terms energy: -287.943754 where: bonds (distance) C4'-P energy: -62.911 bonds (distance) P-C4' energy: -73.059 flat angles C4'-P-C4' energy: -73.443 flat angles P-C4'-P energy: -53.835 tors. eta vs tors. theta energy: -24.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -337.907547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.907547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.907547 (E_RNA) where: Base-Base interactions energy: -104.045 where: short stacking energy: -96.847 Base-Backbone interact. energy: 3.242 local terms energy: -237.196761 where: bonds (distance) C4'-P energy: -65.009 bonds (distance) P-C4' energy: -79.861 flat angles C4'-P-C4' energy: -61.947 flat angles P-C4'-P energy: -39.663 tors. eta vs tors. theta energy: 9.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.092 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1480.730973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.730973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.730973 (E_RNA) where: Base-Base interactions energy: -1044.568 where: short stacking energy: -423.488 Base-Backbone interact. energy: -2.282 local terms energy: -433.881171 where: bonds (distance) C4'-P energy: -87.645 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -97.283 flat angles P-C4'-P energy: -66.616 tors. eta vs tors. theta energy: -103.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1405.883515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.883515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.883515 (E_RNA) where: Base-Base interactions energy: -964.849 where: short stacking energy: -426.573 Base-Backbone interact. energy: -1.368 local terms energy: -439.667446 where: bonds (distance) C4'-P energy: -75.954 bonds (distance) P-C4' energy: -85.997 flat angles C4'-P-C4' energy: -97.518 flat angles P-C4'-P energy: -62.862 tors. eta vs tors. theta energy: -117.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1412.006919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.006919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.006919 (E_RNA) where: Base-Base interactions energy: -992.294 where: short stacking energy: -426.860 Base-Backbone interact. energy: -2.791 local terms energy: -416.921821 where: bonds (distance) C4'-P energy: -72.434 bonds (distance) P-C4' energy: -76.609 flat angles C4'-P-C4' energy: -88.861 flat angles P-C4'-P energy: -63.350 tors. eta vs tors. theta energy: -115.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1324.952594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.952594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.952594 (E_RNA) where: Base-Base interactions energy: -934.624 where: short stacking energy: -378.824 Base-Backbone interact. energy: -0.887 local terms energy: -389.441794 where: bonds (distance) C4'-P energy: -74.594 bonds (distance) P-C4' energy: -72.475 flat angles C4'-P-C4' energy: -85.750 flat angles P-C4'-P energy: -60.099 tors. eta vs tors. theta energy: -96.523 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: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1167.095922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.095922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.095922 (E_RNA) where: Base-Base interactions energy: -780.423 where: short stacking energy: -323.589 Base-Backbone interact. energy: -3.087 local terms energy: -383.586563 where: bonds (distance) C4'-P energy: -77.311 bonds (distance) P-C4' energy: -82.085 flat angles C4'-P-C4' energy: -84.782 flat angles P-C4'-P energy: -53.370 tors. eta vs tors. theta energy: -86.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1059.843679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.843679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.843679 (E_RNA) where: Base-Base interactions energy: -703.773 where: short stacking energy: -296.480 Base-Backbone interact. energy: -1.788 local terms energy: -354.283170 where: bonds (distance) C4'-P energy: -81.215 bonds (distance) P-C4' energy: -63.767 flat angles C4'-P-C4' energy: -81.386 flat angles P-C4'-P energy: -67.622 tors. eta vs tors. theta energy: -60.293 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: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1039.461581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.461581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.461581 (E_RNA) where: Base-Base interactions energy: -683.137 where: short stacking energy: -324.915 Base-Backbone interact. energy: -4.888 local terms energy: -351.436130 where: bonds (distance) C4'-P energy: -69.855 bonds (distance) P-C4' energy: -76.198 flat angles C4'-P-C4' energy: -76.775 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: -78.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -901.954436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.954436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.954436 (E_RNA) where: Base-Base interactions energy: -589.059 where: short stacking energy: -278.656 Base-Backbone interact. energy: -0.095 local terms energy: -312.799810 where: bonds (distance) C4'-P energy: -70.538 bonds (distance) P-C4' energy: -90.114 flat angles C4'-P-C4' energy: -58.143 flat angles P-C4'-P energy: -33.821 tors. eta vs tors. theta energy: -60.184 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: 9, replica: 5 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -561.786922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.786922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.786922 (E_RNA) where: Base-Base interactions energy: -289.817 where: short stacking energy: -154.944 Base-Backbone interact. energy: 0.508 local terms energy: -272.477997 where: bonds (distance) C4'-P energy: -83.137 bonds (distance) P-C4' energy: -73.698 flat angles C4'-P-C4' energy: -47.496 flat angles P-C4'-P energy: -47.171 tors. eta vs tors. theta energy: -20.976 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: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -373.245560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.245560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.245560 (E_RNA) where: Base-Base interactions energy: -145.045 where: short stacking energy: -110.475 Base-Backbone interact. energy: 0.089 local terms energy: -228.289672 where: bonds (distance) C4'-P energy: -67.373 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -64.837 flat angles P-C4'-P energy: -37.298 tors. eta vs tors. theta energy: 6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1492.338515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.338515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.338515 (E_RNA) where: Base-Base interactions energy: -1045.859 where: short stacking energy: -429.299 Base-Backbone interact. energy: -2.575 local terms energy: -443.903903 where: bonds (distance) C4'-P energy: -79.114 bonds (distance) P-C4' energy: -88.129 flat angles C4'-P-C4' energy: -99.271 flat angles P-C4'-P energy: -66.105 tors. eta vs tors. theta energy: -111.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1403.021779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.021779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.021779 (E_RNA) where: Base-Base interactions energy: -953.184 where: short stacking energy: -407.911 Base-Backbone interact. energy: -1.832 local terms energy: -448.006135 where: bonds (distance) C4'-P energy: -74.485 bonds (distance) P-C4' energy: -87.654 flat angles C4'-P-C4' energy: -96.674 flat angles P-C4'-P energy: -66.816 tors. eta vs tors. theta energy: -122.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1435.749563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.749563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.749563 (E_RNA) where: Base-Base interactions energy: -1002.887 where: short stacking energy: -414.211 Base-Backbone interact. energy: -0.896 local terms energy: -431.967215 where: bonds (distance) C4'-P energy: -77.385 bonds (distance) P-C4' energy: -85.500 flat angles C4'-P-C4' energy: -95.264 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -115.039 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: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1285.568278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.568278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.568278 (E_RNA) where: Base-Base interactions energy: -910.008 where: short stacking energy: -369.779 Base-Backbone interact. energy: -0.050 local terms energy: -375.511072 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -88.559 flat angles C4'-P-C4' energy: -91.862 flat angles P-C4'-P energy: -47.267 tors. eta vs tors. theta energy: -81.168 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: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1181.806153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.806153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.806153 (E_RNA) where: Base-Base interactions energy: -838.870 where: short stacking energy: -357.445 Base-Backbone interact. energy: -0.220 local terms energy: -342.715901 where: bonds (distance) C4'-P energy: -58.655 bonds (distance) P-C4' energy: -66.756 flat angles C4'-P-C4' energy: -83.923 flat angles P-C4'-P energy: -45.810 tors. eta vs tors. theta energy: -87.571 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: 102 Temperature: 1.150000 Total energy: -1086.595662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.595662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.595662 (E_RNA) where: Base-Base interactions energy: -752.074 where: short stacking energy: -301.800 Base-Backbone interact. energy: -2.967 local terms energy: -331.554731 where: bonds (distance) C4'-P energy: -70.265 bonds (distance) P-C4' energy: -80.129 flat angles C4'-P-C4' energy: -72.536 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -63.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1002.661508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.661508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.661508 (E_RNA) where: Base-Base interactions energy: -669.609 where: short stacking energy: -313.269 Base-Backbone interact. energy: 1.912 local terms energy: -334.964826 where: bonds (distance) C4'-P energy: -68.625 bonds (distance) P-C4' energy: -69.026 flat angles C4'-P-C4' energy: -76.621 flat angles P-C4'-P energy: -45.551 tors. eta vs tors. theta energy: -75.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -881.150005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.150005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.150005 (E_RNA) where: Base-Base interactions energy: -552.812 where: short stacking energy: -254.693 Base-Backbone interact. energy: -2.800 local terms energy: -325.538751 where: bonds (distance) C4'-P energy: -57.296 bonds (distance) P-C4' energy: -82.601 flat angles C4'-P-C4' energy: -76.384 flat angles P-C4'-P energy: -57.735 tors. eta vs tors. theta energy: -51.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -577.184390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.184390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.184390 (E_RNA) where: Base-Base interactions energy: -303.736 where: short stacking energy: -162.506 Base-Backbone interact. energy: 0.574 local terms energy: -274.022678 where: bonds (distance) C4'-P energy: -74.237 bonds (distance) P-C4' energy: -77.412 flat angles C4'-P-C4' energy: -62.054 flat angles P-C4'-P energy: -37.491 tors. eta vs tors. theta energy: -22.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -364.960992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.960992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.960992 (E_RNA) where: Base-Base interactions energy: -153.043 where: short stacking energy: -135.270 Base-Backbone interact. energy: 0.764 local terms energy: -212.682003 where: bonds (distance) C4'-P energy: -59.587 bonds (distance) P-C4' energy: -61.250 flat angles C4'-P-C4' energy: -57.752 flat angles P-C4'-P energy: -38.714 tors. eta vs tors. theta energy: 4.621 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: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1477.184723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.184723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.184723 (E_RNA) where: Base-Base interactions energy: -1050.944 where: short stacking energy: -406.138 Base-Backbone interact. energy: -1.520 local terms energy: -424.719851 where: bonds (distance) C4'-P energy: -74.409 bonds (distance) P-C4' energy: -82.484 flat angles C4'-P-C4' energy: -90.648 flat angles P-C4'-P energy: -70.830 tors. eta vs tors. theta energy: -106.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1457.366975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.366975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.366975 (E_RNA) where: Base-Base interactions energy: -1022.087 where: short stacking energy: -409.689 Base-Backbone interact. energy: 1.677 local terms energy: -436.956401 where: bonds (distance) C4'-P energy: -81.230 bonds (distance) P-C4' energy: -84.364 flat angles C4'-P-C4' energy: -97.380 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -118.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1369.236866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.236866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.236866 (E_RNA) where: Base-Base interactions energy: -964.815 where: short stacking energy: -412.574 Base-Backbone interact. energy: 0.287 local terms energy: -404.709515 where: bonds (distance) C4'-P energy: -78.299 bonds (distance) P-C4' energy: -66.073 flat angles C4'-P-C4' energy: -82.293 flat angles P-C4'-P energy: -63.114 tors. eta vs tors. theta energy: -114.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1293.278824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.278824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.278824 (E_RNA) where: Base-Base interactions energy: -908.586 where: short stacking energy: -382.832 Base-Backbone interact. energy: -1.589 local terms energy: -383.103486 where: bonds (distance) C4'-P energy: -71.004 bonds (distance) P-C4' energy: -79.095 flat angles C4'-P-C4' energy: -84.646 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -96.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1201.818229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.818229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.818229 (E_RNA) where: Base-Base interactions energy: -822.211 where: short stacking energy: -356.376 Base-Backbone interact. energy: -0.567 local terms energy: -379.039865 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -71.660 flat angles C4'-P-C4' energy: -79.792 flat angles P-C4'-P energy: -56.655 tors. eta vs tors. theta energy: -84.527 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: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1097.251273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.251273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.251273 (E_RNA) where: Base-Base interactions energy: -743.116 where: short stacking energy: -310.023 Base-Backbone interact. energy: -2.926 local terms energy: -351.208644 where: bonds (distance) C4'-P energy: -74.366 bonds (distance) P-C4' energy: -84.093 flat angles C4'-P-C4' energy: -80.962 flat angles P-C4'-P energy: -41.348 tors. eta vs tors. theta energy: -70.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -978.122773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.122773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.122773 (E_RNA) where: Base-Base interactions energy: -655.559 where: short stacking energy: -287.178 Base-Backbone interact. energy: -1.810 local terms energy: -320.754470 where: bonds (distance) C4'-P energy: -71.586 bonds (distance) P-C4' energy: -75.219 flat angles C4'-P-C4' energy: -68.966 flat angles P-C4'-P energy: -44.552 tors. eta vs tors. theta energy: -60.431 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: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -941.418842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.418842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.418842 (E_RNA) where: Base-Base interactions energy: -632.079 where: short stacking energy: -261.448 Base-Backbone interact. energy: -0.496 local terms energy: -308.843141 where: bonds (distance) C4'-P energy: -66.252 bonds (distance) P-C4' energy: -75.434 flat angles C4'-P-C4' energy: -78.180 flat angles P-C4'-P energy: -36.111 tors. eta vs tors. theta energy: -52.866 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: 5 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -604.148774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.148774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.148774 (E_RNA) where: Base-Base interactions energy: -341.675 where: short stacking energy: -174.554 Base-Backbone interact. energy: -1.175 local terms energy: -261.298899 where: bonds (distance) C4'-P energy: -59.183 bonds (distance) P-C4' energy: -81.216 flat angles C4'-P-C4' energy: -62.156 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -18.072 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: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -344.300624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.300624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.300624 (E_RNA) where: Base-Base interactions energy: -146.078 where: short stacking energy: -88.487 Base-Backbone interact. energy: 5.282 local terms energy: -203.504864 where: bonds (distance) C4'-P energy: -65.148 bonds (distance) P-C4' energy: -74.338 flat angles C4'-P-C4' energy: -49.445 flat angles P-C4'-P energy: -30.940 tors. eta vs tors. theta energy: 16.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1486.982893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.982893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.982893 (E_RNA) where: Base-Base interactions energy: -1059.916 where: short stacking energy: -433.039 Base-Backbone interact. energy: -1.893 local terms energy: -425.174371 where: bonds (distance) C4'-P energy: -84.375 bonds (distance) P-C4' energy: -77.557 flat angles C4'-P-C4' energy: -88.859 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -107.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1442.071990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.071990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.071990 (E_RNA) where: Base-Base interactions energy: -995.614 where: short stacking energy: -418.900 Base-Backbone interact. energy: -3.068 local terms energy: -443.389750 where: bonds (distance) C4'-P energy: -92.047 bonds (distance) P-C4' energy: -81.604 flat angles C4'-P-C4' energy: -89.537 flat angles P-C4'-P energy: -64.684 tors. eta vs tors. theta energy: -115.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1355.643144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.643144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.643144 (E_RNA) where: Base-Base interactions energy: -945.921 where: short stacking energy: -380.502 Base-Backbone interact. energy: 0.029 local terms energy: -409.751419 where: bonds (distance) C4'-P energy: -77.312 bonds (distance) P-C4' energy: -79.868 flat angles C4'-P-C4' energy: -92.652 flat angles P-C4'-P energy: -55.051 tors. eta vs tors. theta energy: -104.869 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: 1 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1265.370074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.370074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.370074 (E_RNA) where: Base-Base interactions energy: -875.215 where: short stacking energy: -361.848 Base-Backbone interact. energy: -2.038 local terms energy: -388.116660 where: bonds (distance) C4'-P energy: -76.625 bonds (distance) P-C4' energy: -89.188 flat angles C4'-P-C4' energy: -90.751 flat angles P-C4'-P energy: -48.875 tors. eta vs tors. theta energy: -82.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1202.695662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.695662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.695662 (E_RNA) where: Base-Base interactions energy: -795.448 where: short stacking energy: -330.865 Base-Backbone interact. energy: -1.526 local terms energy: -405.721470 where: bonds (distance) C4'-P energy: -77.955 bonds (distance) P-C4' energy: -83.508 flat angles C4'-P-C4' energy: -92.203 flat angles P-C4'-P energy: -57.341 tors. eta vs tors. theta energy: -94.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1114.654504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.654504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.654504 (E_RNA) where: Base-Base interactions energy: -762.863 where: short stacking energy: -323.998 Base-Backbone interact. energy: 4.242 local terms energy: -356.032739 where: bonds (distance) C4'-P energy: -69.706 bonds (distance) P-C4' energy: -78.953 flat angles C4'-P-C4' energy: -87.146 flat angles P-C4'-P energy: -44.262 tors. eta vs tors. theta energy: -75.966 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: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1000.171322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.171322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.171322 (E_RNA) where: Base-Base interactions energy: -631.607 where: short stacking energy: -288.869 Base-Backbone interact. energy: -0.500 local terms energy: -368.064716 where: bonds (distance) C4'-P energy: -80.149 bonds (distance) P-C4' energy: -76.692 flat angles C4'-P-C4' energy: -91.329 flat angles P-C4'-P energy: -49.529 tors. eta vs tors. theta energy: -70.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -908.308637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.308637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.308637 (E_RNA) where: Base-Base interactions energy: -592.914 where: short stacking energy: -276.540 Base-Backbone interact. energy: -2.038 local terms energy: -313.356579 where: bonds (distance) C4'-P energy: -45.225 bonds (distance) P-C4' energy: -74.496 flat angles C4'-P-C4' energy: -77.907 flat angles P-C4'-P energy: -44.207 tors. eta vs tors. theta energy: -71.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -629.972754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.972754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.972754 (E_RNA) where: Base-Base interactions energy: -351.194 where: short stacking energy: -189.671 Base-Backbone interact. energy: -1.864 local terms energy: -276.914661 where: bonds (distance) C4'-P energy: -85.381 bonds (distance) P-C4' energy: -62.116 flat angles C4'-P-C4' energy: -69.804 flat angles P-C4'-P energy: -37.185 tors. eta vs tors. theta energy: -22.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -362.950638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.950638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.950638 (E_RNA) where: Base-Base interactions energy: -153.260 where: short stacking energy: -135.999 Base-Backbone interact. energy: 2.099 local terms energy: -211.789897 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -59.528 flat angles C4'-P-C4' energy: -62.385 flat angles P-C4'-P energy: -42.584 tors. eta vs tors. theta energy: 11.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1486.320148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.320148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.320148 (E_RNA) where: Base-Base interactions energy: -1057.246 where: short stacking energy: -433.614 Base-Backbone interact. energy: 1.850 local terms energy: -430.924734 where: bonds (distance) C4'-P energy: -87.426 bonds (distance) P-C4' energy: -83.696 flat angles C4'-P-C4' energy: -86.781 flat angles P-C4'-P energy: -62.805 tors. eta vs tors. theta energy: -110.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1455.386688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.386688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.386688 (E_RNA) where: Base-Base interactions energy: -1015.573 where: short stacking energy: -404.237 Base-Backbone interact. energy: -2.843 local terms energy: -436.971254 where: bonds (distance) C4'-P energy: -78.761 bonds (distance) P-C4' energy: -80.726 flat angles C4'-P-C4' energy: -91.572 flat angles P-C4'-P energy: -71.969 tors. eta vs tors. theta energy: -113.942 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: 3, replica: 7 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1365.837395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.837395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.837395 (E_RNA) where: Base-Base interactions energy: -920.995 where: short stacking energy: -391.381 Base-Backbone interact. energy: -3.018 local terms energy: -441.824838 where: bonds (distance) C4'-P energy: -87.883 bonds (distance) P-C4' energy: -82.362 flat angles C4'-P-C4' energy: -96.562 flat angles P-C4'-P energy: -61.431 tors. eta vs tors. theta energy: -113.587 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: 1 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1238.034215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.034215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.034215 (E_RNA) where: Base-Base interactions energy: -851.969 where: short stacking energy: -339.870 Base-Backbone interact. energy: -1.151 local terms energy: -384.914348 where: bonds (distance) C4'-P energy: -76.127 bonds (distance) P-C4' energy: -74.591 flat angles C4'-P-C4' energy: -85.557 flat angles P-C4'-P energy: -62.167 tors. eta vs tors. theta energy: -86.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1236.642943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.642943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.642943 (E_RNA) where: Base-Base interactions energy: -838.717 where: short stacking energy: -357.121 Base-Backbone interact. energy: -2.836 local terms energy: -395.089233 where: bonds (distance) C4'-P energy: -83.501 bonds (distance) P-C4' energy: -78.618 flat angles C4'-P-C4' energy: -86.874 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: -89.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1095.456713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.456713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.456713 (E_RNA) where: Base-Base interactions energy: -753.084 where: short stacking energy: -316.050 Base-Backbone interact. energy: 1.757 local terms energy: -344.129174 where: bonds (distance) C4'-P energy: -64.309 bonds (distance) P-C4' energy: -77.795 flat angles C4'-P-C4' energy: -79.868 flat angles P-C4'-P energy: -48.775 tors. eta vs tors. theta energy: -73.383 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: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1064.596856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.596856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.596856 (E_RNA) where: Base-Base interactions energy: -707.443 where: short stacking energy: -329.264 Base-Backbone interact. energy: -0.538 local terms energy: -356.615920 where: bonds (distance) C4'-P energy: -71.731 bonds (distance) P-C4' energy: -76.154 flat angles C4'-P-C4' energy: -82.112 flat angles P-C4'-P energy: -45.999 tors. eta vs tors. theta energy: -80.620 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: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -981.979824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.979824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.979824 (E_RNA) where: Base-Base interactions energy: -637.917 where: short stacking energy: -268.054 Base-Backbone interact. energy: -1.215 local terms energy: -342.848392 where: bonds (distance) C4'-P energy: -78.949 bonds (distance) P-C4' energy: -80.572 flat angles C4'-P-C4' energy: -67.569 flat angles P-C4'-P energy: -51.443 tors. eta vs tors. theta energy: -64.315 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: 5 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -656.784475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.784475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.784475 (E_RNA) where: Base-Base interactions energy: -393.508 where: short stacking energy: -179.272 Base-Backbone interact. energy: -0.821 local terms energy: -262.455744 where: bonds (distance) C4'-P energy: -80.461 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -56.353 flat angles P-C4'-P energy: -44.118 tors. eta vs tors. theta energy: -13.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -343.453750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.453750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.453750 (E_RNA) where: Base-Base interactions energy: -117.705 where: short stacking energy: -102.416 Base-Backbone interact. energy: -1.040 local terms energy: -224.709109 where: bonds (distance) C4'-P energy: -65.792 bonds (distance) P-C4' energy: -71.179 flat angles C4'-P-C4' energy: -54.369 flat angles P-C4'-P energy: -43.664 tors. eta vs tors. theta energy: 10.296 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: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1488.402962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.402962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.402962 (E_RNA) where: Base-Base interactions energy: -1059.268 where: short stacking energy: -406.824 Base-Backbone interact. energy: -3.190 local terms energy: -425.944969 where: bonds (distance) C4'-P energy: -85.299 bonds (distance) P-C4' energy: -73.738 flat angles C4'-P-C4' energy: -97.471 flat angles P-C4'-P energy: -63.291 tors. eta vs tors. theta energy: -106.146 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: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1444.268223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.268223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.268223 (E_RNA) where: Base-Base interactions energy: -989.973 where: short stacking energy: -403.906 Base-Backbone interact. energy: -0.784 local terms energy: -453.510944 where: bonds (distance) C4'-P energy: -87.408 bonds (distance) P-C4' energy: -84.073 flat angles C4'-P-C4' energy: -92.388 flat angles P-C4'-P energy: -69.515 tors. eta vs tors. theta energy: -120.127 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: 3, replica: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1377.333984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.333984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.333984 (E_RNA) where: Base-Base interactions energy: -953.433 where: short stacking energy: -403.750 Base-Backbone interact. energy: -2.678 local terms energy: -421.222958 where: bonds (distance) C4'-P energy: -80.092 bonds (distance) P-C4' energy: -81.501 flat angles C4'-P-C4' energy: -83.001 flat angles P-C4'-P energy: -56.094 tors. eta vs tors. theta energy: -120.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1251.029885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.029885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.029885 (E_RNA) where: Base-Base interactions energy: -880.198 where: short stacking energy: -349.670 Base-Backbone interact. energy: -0.821 local terms energy: -370.010616 where: bonds (distance) C4'-P energy: -79.694 bonds (distance) P-C4' energy: -81.041 flat angles C4'-P-C4' energy: -78.575 flat angles P-C4'-P energy: -51.031 tors. eta vs tors. theta energy: -79.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1151.656160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.656160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.656160 (E_RNA) where: Base-Base interactions energy: -769.790 where: short stacking energy: -333.187 Base-Backbone interact. energy: -1.447 local terms energy: -380.419103 where: bonds (distance) C4'-P energy: -70.471 bonds (distance) P-C4' energy: -91.760 flat angles C4'-P-C4' energy: -82.094 flat angles P-C4'-P energy: -54.447 tors. eta vs tors. theta energy: -81.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1155.100498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.100498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.100498 (E_RNA) where: Base-Base interactions energy: -788.356 where: short stacking energy: -336.374 Base-Backbone interact. energy: -0.389 local terms energy: -366.355369 where: bonds (distance) C4'-P energy: -67.944 bonds (distance) P-C4' energy: -70.341 flat angles C4'-P-C4' energy: -82.639 flat angles P-C4'-P energy: -57.684 tors. eta vs tors. theta energy: -87.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1017.299260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.299260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.299260 (E_RNA) where: Base-Base interactions energy: -691.995 where: short stacking energy: -306.104 Base-Backbone interact. energy: 0.816 local terms energy: -326.119780 where: bonds (distance) C4'-P energy: -49.180 bonds (distance) P-C4' energy: -85.342 flat angles C4'-P-C4' energy: -73.663 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: -67.228 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: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -917.983385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.983385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.983385 (E_RNA) where: Base-Base interactions energy: -605.556 where: short stacking energy: -282.631 Base-Backbone interact. energy: 0.418 local terms energy: -312.845988 where: bonds (distance) C4'-P energy: -60.974 bonds (distance) P-C4' energy: -66.055 flat angles C4'-P-C4' energy: -92.928 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: -50.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -583.389526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.389526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.389526 (E_RNA) where: Base-Base interactions energy: -318.068 where: short stacking energy: -148.958 Base-Backbone interact. energy: 0.810 local terms energy: -266.131555 where: bonds (distance) C4'-P energy: -73.129 bonds (distance) P-C4' energy: -75.519 flat angles C4'-P-C4' energy: -64.719 flat angles P-C4'-P energy: -42.990 tors. eta vs tors. theta energy: -9.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -355.732591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.732591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.732591 (E_RNA) where: Base-Base interactions energy: -135.466 where: short stacking energy: -96.107 Base-Backbone interact. energy: 2.738 local terms energy: -223.005045 where: bonds (distance) C4'-P energy: -82.510 bonds (distance) P-C4' energy: -79.693 flat angles C4'-P-C4' energy: -69.243 flat angles P-C4'-P energy: -16.156 tors. eta vs tors. theta energy: 24.597 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: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1487.627619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.627619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.627619 (E_RNA) where: Base-Base interactions energy: -1061.381 where: short stacking energy: -418.048 Base-Backbone interact. energy: -2.285 local terms energy: -423.961284 where: bonds (distance) C4'-P energy: -71.281 bonds (distance) P-C4' energy: -82.543 flat angles C4'-P-C4' energy: -98.038 flat angles P-C4'-P energy: -61.151 tors. eta vs tors. theta energy: -110.949 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: 9 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1437.105188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.105188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.105188 (E_RNA) where: Base-Base interactions energy: -1016.082 where: short stacking energy: -421.365 Base-Backbone interact. energy: -0.010 local terms energy: -421.013781 where: bonds (distance) C4'-P energy: -82.186 bonds (distance) P-C4' energy: -77.217 flat angles C4'-P-C4' energy: -96.486 flat angles P-C4'-P energy: -51.544 tors. eta vs tors. theta energy: -113.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1365.522748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.522748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.522748 (E_RNA) where: Base-Base interactions energy: -945.882 where: short stacking energy: -396.953 Base-Backbone interact. energy: -2.118 local terms energy: -417.522571 where: bonds (distance) C4'-P energy: -71.847 bonds (distance) P-C4' energy: -86.323 flat angles C4'-P-C4' energy: -94.386 flat angles P-C4'-P energy: -54.118 tors. eta vs tors. theta energy: -110.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1282.270989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.270989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.270989 (E_RNA) where: Base-Base interactions energy: -886.649 where: short stacking energy: -371.059 Base-Backbone interact. energy: -1.609 local terms energy: -394.012472 where: bonds (distance) C4'-P energy: -79.173 bonds (distance) P-C4' energy: -78.925 flat angles C4'-P-C4' energy: -84.434 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: -96.815 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: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1122.538779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.538779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.538779 (E_RNA) where: Base-Base interactions energy: -739.094 where: short stacking energy: -333.327 Base-Backbone interact. energy: -3.048 local terms energy: -380.396414 where: bonds (distance) C4'-P energy: -72.710 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -79.906 flat angles P-C4'-P energy: -59.592 tors. eta vs tors. theta energy: -87.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1145.816915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.816915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.816915 (E_RNA) where: Base-Base interactions energy: -777.621 where: short stacking energy: -322.262 Base-Backbone interact. energy: 0.904 local terms energy: -369.100609 where: bonds (distance) C4'-P energy: -72.410 bonds (distance) P-C4' energy: -86.374 flat angles C4'-P-C4' energy: -84.955 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: -83.549 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: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1061.813964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.813964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.813964 (E_RNA) where: Base-Base interactions energy: -721.225 where: short stacking energy: -317.347 Base-Backbone interact. energy: 0.444 local terms energy: -341.032719 where: bonds (distance) C4'-P energy: -80.301 bonds (distance) P-C4' energy: -80.621 flat angles C4'-P-C4' energy: -74.654 flat angles P-C4'-P energy: -33.888 tors. eta vs tors. theta energy: -71.568 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: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -948.264040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.264040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.264040 (E_RNA) where: Base-Base interactions energy: -634.834 where: short stacking energy: -280.811 Base-Backbone interact. energy: -3.394 local terms energy: -310.035316 where: bonds (distance) C4'-P energy: -64.397 bonds (distance) P-C4' energy: -65.110 flat angles C4'-P-C4' energy: -87.804 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: -56.835 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: 5 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -604.828254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.828254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.828254 (E_RNA) where: Base-Base interactions energy: -358.654 where: short stacking energy: -166.494 Base-Backbone interact. energy: -0.004 local terms energy: -246.170622 where: bonds (distance) C4'-P energy: -61.319 bonds (distance) P-C4' energy: -78.178 flat angles C4'-P-C4' energy: -60.764 flat angles P-C4'-P energy: -42.754 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -354.531995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.531995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.531995 (E_RNA) where: Base-Base interactions energy: -134.381 where: short stacking energy: -106.925 Base-Backbone interact. energy: 0.096 local terms energy: -220.247573 where: bonds (distance) C4'-P energy: -66.339 bonds (distance) P-C4' energy: -66.513 flat angles C4'-P-C4' energy: -51.219 flat angles P-C4'-P energy: -36.106 tors. eta vs tors. theta energy: -0.071 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: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1501.021634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.021634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.021634 (E_RNA) where: Base-Base interactions energy: -1046.152 where: short stacking energy: -433.912 Base-Backbone interact. energy: 2.652 local terms energy: -457.521938 where: bonds (distance) C4'-P energy: -83.974 bonds (distance) P-C4' energy: -97.278 flat angles C4'-P-C4' energy: -94.831 flat angles P-C4'-P energy: -54.912 tors. eta vs tors. theta energy: -126.527 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: 3 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1452.669129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.669129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.669129 (E_RNA) where: Base-Base interactions energy: -1027.805 where: short stacking energy: -409.270 Base-Backbone interact. energy: -2.717 local terms energy: -422.147341 where: bonds (distance) C4'-P energy: -76.881 bonds (distance) P-C4' energy: -79.662 flat angles C4'-P-C4' energy: -99.551 flat angles P-C4'-P energy: -58.141 tors. eta vs tors. theta energy: -107.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1388.660878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.660878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.660878 (E_RNA) where: Base-Base interactions energy: -964.589 where: short stacking energy: -391.265 Base-Backbone interact. energy: -1.205 local terms energy: -422.866320 where: bonds (distance) C4'-P energy: -77.822 bonds (distance) P-C4' energy: -84.860 flat angles C4'-P-C4' energy: -93.945 flat angles P-C4'-P energy: -62.347 tors. eta vs tors. theta energy: -103.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1248.087405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.087405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.087405 (E_RNA) where: Base-Base interactions energy: -879.531 where: short stacking energy: -367.690 Base-Backbone interact. energy: -1.236 local terms energy: -367.320586 where: bonds (distance) C4'-P energy: -65.880 bonds (distance) P-C4' energy: -82.251 flat angles C4'-P-C4' energy: -78.937 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -81.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1181.488730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.488730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.488730 (E_RNA) where: Base-Base interactions energy: -802.075 where: short stacking energy: -346.281 Base-Backbone interact. energy: -1.243 local terms energy: -378.170281 where: bonds (distance) C4'-P energy: -75.570 bonds (distance) P-C4' energy: -74.622 flat angles C4'-P-C4' energy: -83.611 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -81.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1095.408401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.408401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.408401 (E_RNA) where: Base-Base interactions energy: -736.353 where: short stacking energy: -332.416 Base-Backbone interact. energy: 0.466 local terms energy: -359.521745 where: bonds (distance) C4'-P energy: -71.558 bonds (distance) P-C4' energy: -77.314 flat angles C4'-P-C4' energy: -85.673 flat angles P-C4'-P energy: -43.739 tors. eta vs tors. theta energy: -81.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1105.702366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.702366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.702366 (E_RNA) where: Base-Base interactions energy: -765.339 where: short stacking energy: -317.565 Base-Backbone interact. energy: -0.933 local terms energy: -339.429708 where: bonds (distance) C4'-P energy: -69.282 bonds (distance) P-C4' energy: -61.216 flat angles C4'-P-C4' energy: -73.891 flat angles P-C4'-P energy: -55.845 tors. eta vs tors. theta energy: -79.196 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: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -981.360631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.360631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.360631 (E_RNA) where: Base-Base interactions energy: -660.360 where: short stacking energy: -279.162 Base-Backbone interact. energy: -1.231 local terms energy: -319.770106 where: bonds (distance) C4'-P energy: -60.438 bonds (distance) P-C4' energy: -69.254 flat angles C4'-P-C4' energy: -68.058 flat angles P-C4'-P energy: -58.685 tors. eta vs tors. theta energy: -63.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -590.420294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.420294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.420294 (E_RNA) where: Base-Base interactions energy: -339.353 where: short stacking energy: -164.953 Base-Backbone interact. energy: 0.263 local terms energy: -251.330140 where: bonds (distance) C4'-P energy: -63.280 bonds (distance) P-C4' energy: -79.838 flat angles C4'-P-C4' energy: -51.841 flat angles P-C4'-P energy: -42.444 tors. eta vs tors. theta energy: -13.928 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: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -380.508081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.508081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.508081 (E_RNA) where: Base-Base interactions energy: -141.597 where: short stacking energy: -115.437 Base-Backbone interact. energy: 1.316 local terms energy: -240.226632 where: bonds (distance) C4'-P energy: -64.404 bonds (distance) P-C4' energy: -71.367 flat angles C4'-P-C4' energy: -60.374 flat angles P-C4'-P energy: -37.331 tors. eta vs tors. theta energy: -6.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1485.011108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.011108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.011108 (E_RNA) where: Base-Base interactions energy: -1039.237 where: short stacking energy: -435.180 Base-Backbone interact. energy: -3.394 local terms energy: -442.380007 where: bonds (distance) C4'-P energy: -86.601 bonds (distance) P-C4' energy: -77.480 flat angles C4'-P-C4' energy: -94.891 flat angles P-C4'-P energy: -60.276 tors. eta vs tors. theta energy: -123.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1458.432852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.432852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.432852 (E_RNA) where: Base-Base interactions energy: -1035.738 where: short stacking energy: -418.163 Base-Backbone interact. energy: -2.944 local terms energy: -419.750417 where: bonds (distance) C4'-P energy: -72.901 bonds (distance) P-C4' energy: -94.004 flat angles C4'-P-C4' energy: -87.317 flat angles P-C4'-P energy: -59.331 tors. eta vs tors. theta energy: -106.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1374.888863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.888863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.888863 (E_RNA) where: Base-Base interactions energy: -958.794 where: short stacking energy: -398.744 Base-Backbone interact. energy: -1.079 local terms energy: -415.015936 where: bonds (distance) C4'-P energy: -69.317 bonds (distance) P-C4' energy: -85.830 flat angles C4'-P-C4' energy: -86.904 flat angles P-C4'-P energy: -56.600 tors. eta vs tors. theta energy: -116.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1293.435953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.435953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.435953 (E_RNA) where: Base-Base interactions energy: -901.484 where: short stacking energy: -362.106 Base-Backbone interact. energy: 0.189 local terms energy: -392.141031 where: bonds (distance) C4'-P energy: -85.928 bonds (distance) P-C4' energy: -85.210 flat angles C4'-P-C4' energy: -91.730 flat angles P-C4'-P energy: -44.786 tors. eta vs tors. theta energy: -84.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1171.945468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.945468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.945468 (E_RNA) where: Base-Base interactions energy: -816.311 where: short stacking energy: -358.521 Base-Backbone interact. energy: -3.271 local terms energy: -352.364178 where: bonds (distance) C4'-P energy: -64.404 bonds (distance) P-C4' energy: -65.743 flat angles C4'-P-C4' energy: -81.276 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -91.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1141.392956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.392956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.392956 (E_RNA) where: Base-Base interactions energy: -769.068 where: short stacking energy: -336.946 Base-Backbone interact. energy: 1.626 local terms energy: -373.951095 where: bonds (distance) C4'-P energy: -68.314 bonds (distance) P-C4' energy: -76.929 flat angles C4'-P-C4' energy: -86.059 flat angles P-C4'-P energy: -55.636 tors. eta vs tors. theta energy: -87.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1093.716203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.716203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.716203 (E_RNA) where: Base-Base interactions energy: -737.598 where: short stacking energy: -317.702 Base-Backbone interact. energy: 2.331 local terms energy: -358.448509 where: bonds (distance) C4'-P energy: -68.317 bonds (distance) P-C4' energy: -84.028 flat angles C4'-P-C4' energy: -68.499 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -84.259 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: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -998.702820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.702820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.702820 (E_RNA) where: Base-Base interactions energy: -654.277 where: short stacking energy: -278.515 Base-Backbone interact. energy: -1.350 local terms energy: -343.076132 where: bonds (distance) C4'-P energy: -71.663 bonds (distance) P-C4' energy: -77.344 flat angles C4'-P-C4' energy: -85.379 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -64.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -668.817877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.817877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.817877 (E_RNA) where: Base-Base interactions energy: -383.316 where: short stacking energy: -193.249 Base-Backbone interact. energy: -1.329 local terms energy: -284.172672 where: bonds (distance) C4'-P energy: -60.953 bonds (distance) P-C4' energy: -72.211 flat angles C4'-P-C4' energy: -86.037 flat angles P-C4'-P energy: -38.522 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: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -346.051025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.051025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.051025 (E_RNA) where: Base-Base interactions energy: -118.785 where: short stacking energy: -101.244 Base-Backbone interact. energy: -0.980 local terms energy: -226.285798 where: bonds (distance) C4'-P energy: -72.291 bonds (distance) P-C4' energy: -70.152 flat angles C4'-P-C4' energy: -70.612 flat angles P-C4'-P energy: -23.536 tors. eta vs tors. theta energy: 10.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1481.318089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.318089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.318089 (E_RNA) where: Base-Base interactions energy: -1051.903 where: short stacking energy: -427.417 Base-Backbone interact. energy: -2.688 local terms energy: -426.727276 where: bonds (distance) C4'-P energy: -82.781 bonds (distance) P-C4' energy: -85.519 flat angles C4'-P-C4' energy: -92.656 flat angles P-C4'-P energy: -66.683 tors. eta vs tors. theta energy: -99.088 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: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1453.920965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.920965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.920965 (E_RNA) where: Base-Base interactions energy: -1026.194 where: short stacking energy: -433.560 Base-Backbone interact. energy: 0.221 local terms energy: -427.947917 where: bonds (distance) C4'-P energy: -79.977 bonds (distance) P-C4' energy: -85.171 flat angles C4'-P-C4' energy: -97.311 flat angles P-C4'-P energy: -51.300 tors. eta vs tors. theta energy: -114.189 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: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1381.928442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.928442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.928442 (E_RNA) where: Base-Base interactions energy: -969.971 where: short stacking energy: -401.627 Base-Backbone interact. energy: -1.467 local terms energy: -410.490636 where: bonds (distance) C4'-P energy: -80.057 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -90.454 flat angles P-C4'-P energy: -55.736 tors. eta vs tors. theta energy: -110.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1307.611911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.611911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.611911 (E_RNA) where: Base-Base interactions energy: -942.781 where: short stacking energy: -367.335 Base-Backbone interact. energy: 6.289 local terms energy: -371.119720 where: bonds (distance) C4'-P energy: -76.189 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -80.547 flat angles P-C4'-P energy: -57.871 tors. eta vs tors. theta energy: -85.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1199.683995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.683995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.683995 (E_RNA) where: Base-Base interactions energy: -820.085 where: short stacking energy: -361.676 Base-Backbone interact. energy: -2.148 local terms energy: -377.451322 where: bonds (distance) C4'-P energy: -76.308 bonds (distance) P-C4' energy: -77.734 flat angles C4'-P-C4' energy: -83.005 flat angles P-C4'-P energy: -44.684 tors. eta vs tors. theta energy: -95.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1113.074990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.074990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.074990 (E_RNA) where: Base-Base interactions energy: -742.102 where: short stacking energy: -312.889 Base-Backbone interact. energy: -2.054 local terms energy: -368.919405 where: bonds (distance) C4'-P energy: -82.987 bonds (distance) P-C4' energy: -72.194 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -70.945 tors. eta vs tors. theta energy: -66.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1073.747605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.747605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.747605 (E_RNA) where: Base-Base interactions energy: -725.722 where: short stacking energy: -308.600 Base-Backbone interact. energy: -2.429 local terms energy: -345.596156 where: bonds (distance) C4'-P energy: -63.730 bonds (distance) P-C4' energy: -79.594 flat angles C4'-P-C4' energy: -79.825 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -71.696 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: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1018.425456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.425456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.425456 (E_RNA) where: Base-Base interactions energy: -686.304 where: short stacking energy: -292.790 Base-Backbone interact. energy: 1.280 local terms energy: -333.401308 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -80.137 flat angles C4'-P-C4' energy: -66.016 flat angles P-C4'-P energy: -53.942 tors. eta vs tors. theta energy: -68.232 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: 5 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -697.891741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.891741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.891741 (E_RNA) where: Base-Base interactions energy: -441.814 where: short stacking energy: -214.855 Base-Backbone interact. energy: 1.887 local terms energy: -257.964021 where: bonds (distance) C4'-P energy: -71.453 bonds (distance) P-C4' energy: -54.452 flat angles C4'-P-C4' energy: -59.998 flat angles P-C4'-P energy: -45.594 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: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -369.095162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.095162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.095162 (E_RNA) where: Base-Base interactions energy: -138.373 where: short stacking energy: -91.006 Base-Backbone interact. energy: -0.173 local terms energy: -230.549401 where: bonds (distance) C4'-P energy: -66.566 bonds (distance) P-C4' energy: -83.679 flat angles C4'-P-C4' energy: -53.028 flat angles P-C4'-P energy: -33.715 tors. eta vs tors. theta energy: 6.438 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: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1480.143895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.143895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.143895 (E_RNA) where: Base-Base interactions energy: -1046.153 where: short stacking energy: -437.310 Base-Backbone interact. energy: -0.192 local terms energy: -433.798826 where: bonds (distance) C4'-P energy: -92.450 bonds (distance) P-C4' energy: -72.046 flat angles C4'-P-C4' energy: -97.404 flat angles P-C4'-P energy: -65.463 tors. eta vs tors. theta energy: -106.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1474.584677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.584677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.584677 (E_RNA) where: Base-Base interactions energy: -1030.377 where: short stacking energy: -437.422 Base-Backbone interact. energy: -2.526 local terms energy: -441.682323 where: bonds (distance) C4'-P energy: -90.131 bonds (distance) P-C4' energy: -84.706 flat angles C4'-P-C4' energy: -90.510 flat angles P-C4'-P energy: -57.419 tors. eta vs tors. theta energy: -118.916 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: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1398.937619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.937619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.937619 (E_RNA) where: Base-Base interactions energy: -959.022 where: short stacking energy: -402.651 Base-Backbone interact. energy: -1.192 local terms energy: -438.723032 where: bonds (distance) C4'-P energy: -85.844 bonds (distance) P-C4' energy: -91.702 flat angles C4'-P-C4' energy: -83.422 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: -115.047 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: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1307.218300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.218300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.218300 (E_RNA) where: Base-Base interactions energy: -902.942 where: short stacking energy: -374.772 Base-Backbone interact. energy: -1.217 local terms energy: -403.059061 where: bonds (distance) C4'-P energy: -83.157 bonds (distance) P-C4' energy: -78.860 flat angles C4'-P-C4' energy: -87.384 flat angles P-C4'-P energy: -57.364 tors. eta vs tors. theta energy: -96.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1159.688892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.688892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.688892 (E_RNA) where: Base-Base interactions energy: -792.286 where: short stacking energy: -335.084 Base-Backbone interact. energy: -1.202 local terms energy: -366.201152 where: bonds (distance) C4'-P energy: -62.632 bonds (distance) P-C4' energy: -76.450 flat angles C4'-P-C4' energy: -81.622 flat angles P-C4'-P energy: -58.375 tors. eta vs tors. theta energy: -87.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1162.725730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.725730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.725730 (E_RNA) where: Base-Base interactions energy: -808.108 where: short stacking energy: -335.422 Base-Backbone interact. energy: -0.618 local terms energy: -353.999596 where: bonds (distance) C4'-P energy: -61.649 bonds (distance) P-C4' energy: -67.074 flat angles C4'-P-C4' energy: -74.299 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: -91.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1095.766855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.766855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.766855 (E_RNA) where: Base-Base interactions energy: -757.825 where: short stacking energy: -326.229 Base-Backbone interact. energy: 0.274 local terms energy: -338.215701 where: bonds (distance) C4'-P energy: -68.504 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -73.547 flat angles P-C4'-P energy: -44.023 tors. eta vs tors. theta energy: -83.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -998.373594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.373594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.373594 (E_RNA) where: Base-Base interactions energy: -660.758 where: short stacking energy: -291.972 Base-Backbone interact. energy: -0.459 local terms energy: -337.156063 where: bonds (distance) C4'-P energy: -72.443 bonds (distance) P-C4' energy: -78.282 flat angles C4'-P-C4' energy: -73.293 flat angles P-C4'-P energy: -42.869 tors. eta vs tors. theta energy: -70.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -754.507872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.507872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.507872 (E_RNA) where: Base-Base interactions energy: -466.481 where: short stacking energy: -207.518 Base-Backbone interact. energy: -1.633 local terms energy: -286.393690 where: bonds (distance) C4'-P energy: -80.489 bonds (distance) P-C4' energy: -56.744 flat angles C4'-P-C4' energy: -78.421 flat angles P-C4'-P energy: -37.798 tors. eta vs tors. theta energy: -32.943 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: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -371.377793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.377793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.377793 (E_RNA) where: Base-Base interactions energy: -149.656 where: short stacking energy: -106.765 Base-Backbone interact. energy: 1.575 local terms energy: -223.296780 where: bonds (distance) C4'-P energy: -67.718 bonds (distance) P-C4' energy: -64.122 flat angles C4'-P-C4' energy: -58.942 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: 10.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1471.663894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.663894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.663894 (E_RNA) where: Base-Base interactions energy: -1047.173 where: short stacking energy: -441.687 Base-Backbone interact. energy: 1.621 local terms energy: -426.111859 where: bonds (distance) C4'-P energy: -75.109 bonds (distance) P-C4' energy: -93.044 flat angles C4'-P-C4' energy: -88.117 flat angles P-C4'-P energy: -53.539 tors. eta vs tors. theta energy: -116.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1427.649159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.649159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.649159 (E_RNA) where: Base-Base interactions energy: -985.043 where: short stacking energy: -397.627 Base-Backbone interact. energy: -0.336 local terms energy: -442.270134 where: bonds (distance) C4'-P energy: -77.357 bonds (distance) P-C4' energy: -86.764 flat angles C4'-P-C4' energy: -98.558 flat angles P-C4'-P energy: -71.321 tors. eta vs tors. theta energy: -108.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1379.910347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.910347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.910347 (E_RNA) where: Base-Base interactions energy: -957.695 where: short stacking energy: -397.336 Base-Backbone interact. energy: 0.806 local terms energy: -423.021332 where: bonds (distance) C4'-P energy: -80.095 bonds (distance) P-C4' energy: -82.590 flat angles C4'-P-C4' energy: -83.356 flat angles P-C4'-P energy: -68.795 tors. eta vs tors. theta energy: -108.185 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: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1307.067381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.067381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.067381 (E_RNA) where: Base-Base interactions energy: -910.088 where: short stacking energy: -366.763 Base-Backbone interact. energy: 0.415 local terms energy: -397.394347 where: bonds (distance) C4'-P energy: -81.184 bonds (distance) P-C4' energy: -75.727 flat angles C4'-P-C4' energy: -86.569 flat angles P-C4'-P energy: -52.310 tors. eta vs tors. theta energy: -101.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1159.731796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.731796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.731796 (E_RNA) where: Base-Base interactions energy: -778.227 where: short stacking energy: -332.026 Base-Backbone interact. energy: -2.454 local terms energy: -379.050930 where: bonds (distance) C4'-P energy: -75.633 bonds (distance) P-C4' energy: -81.256 flat angles C4'-P-C4' energy: -81.558 flat angles P-C4'-P energy: -58.435 tors. eta vs tors. theta energy: -82.170 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: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1108.607126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.607126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.607126 (E_RNA) where: Base-Base interactions energy: -736.858 where: short stacking energy: -315.143 Base-Backbone interact. energy: -1.971 local terms energy: -369.778811 where: bonds (distance) C4'-P energy: -75.793 bonds (distance) P-C4' energy: -71.490 flat angles C4'-P-C4' energy: -81.402 flat angles P-C4'-P energy: -57.619 tors. eta vs tors. theta energy: -83.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1088.580108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.580108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.580108 (E_RNA) where: Base-Base interactions energy: -718.429 where: short stacking energy: -309.513 Base-Backbone interact. energy: -2.091 local terms energy: -368.060316 where: bonds (distance) C4'-P energy: -73.176 bonds (distance) P-C4' energy: -78.622 flat angles C4'-P-C4' energy: -81.607 flat angles P-C4'-P energy: -50.573 tors. eta vs tors. theta energy: -84.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1067.299900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.299900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.299900 (E_RNA) where: Base-Base interactions energy: -731.034 where: short stacking energy: -329.614 Base-Backbone interact. energy: 3.353 local terms energy: -339.618955 where: bonds (distance) C4'-P energy: -67.716 bonds (distance) P-C4' energy: -78.364 flat angles C4'-P-C4' energy: -72.902 flat angles P-C4'-P energy: -43.631 tors. eta vs tors. theta energy: -77.006 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: 5 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -720.708871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.708871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.708871 (E_RNA) where: Base-Base interactions energy: -422.829 where: short stacking energy: -214.336 Base-Backbone interact. energy: -1.798 local terms energy: -296.081344 where: bonds (distance) C4'-P energy: -61.771 bonds (distance) P-C4' energy: -80.205 flat angles C4'-P-C4' energy: -72.440 flat angles P-C4'-P energy: -40.735 tors. eta vs tors. theta energy: -40.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -362.600017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.600017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.600017 (E_RNA) where: Base-Base interactions energy: -158.826 where: short stacking energy: -106.448 Base-Backbone interact. energy: 7.844 local terms energy: -211.618141 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -74.386 flat angles C4'-P-C4' energy: -50.367 flat angles P-C4'-P energy: -38.891 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: 1, replica: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1495.566484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.566484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.566484 (E_RNA) where: Base-Base interactions energy: -1037.678 where: short stacking energy: -429.869 Base-Backbone interact. energy: -2.958 local terms energy: -454.930579 where: bonds (distance) C4'-P energy: -83.013 bonds (distance) P-C4' energy: -85.538 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -118.989 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: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1431.589207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.589207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.589207 (E_RNA) where: Base-Base interactions energy: -1014.064 where: short stacking energy: -398.917 Base-Backbone interact. energy: -0.055 local terms energy: -417.470418 where: bonds (distance) C4'-P energy: -82.030 bonds (distance) P-C4' energy: -84.920 flat angles C4'-P-C4' energy: -93.893 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -100.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1342.453029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.453029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.453029 (E_RNA) where: Base-Base interactions energy: -924.454 where: short stacking energy: -388.113 Base-Backbone interact. energy: -0.696 local terms energy: -417.302983 where: bonds (distance) C4'-P energy: -89.586 bonds (distance) P-C4' energy: -75.282 flat angles C4'-P-C4' energy: -88.567 flat angles P-C4'-P energy: -50.916 tors. eta vs tors. theta energy: -112.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1319.482258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.482258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.482258 (E_RNA) where: Base-Base interactions energy: -946.362 where: short stacking energy: -403.145 Base-Backbone interact. energy: 2.154 local terms energy: -375.274034 where: bonds (distance) C4'-P energy: -57.328 bonds (distance) P-C4' energy: -77.629 flat angles C4'-P-C4' energy: -92.367 flat angles P-C4'-P energy: -49.246 tors. eta vs tors. theta energy: -98.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1192.107552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.107552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.107552 (E_RNA) where: Base-Base interactions energy: -807.298 where: short stacking energy: -359.365 Base-Backbone interact. energy: -2.446 local terms energy: -382.363086 where: bonds (distance) C4'-P energy: -80.144 bonds (distance) P-C4' energy: -69.406 flat angles C4'-P-C4' energy: -80.470 flat angles P-C4'-P energy: -58.076 tors. eta vs tors. theta energy: -94.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1108.583537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.583537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.583537 (E_RNA) where: Base-Base interactions energy: -775.554 where: short stacking energy: -319.293 Base-Backbone interact. energy: 1.047 local terms energy: -334.076430 where: bonds (distance) C4'-P energy: -68.370 bonds (distance) P-C4' energy: -70.899 flat angles C4'-P-C4' energy: -73.950 flat angles P-C4'-P energy: -42.500 tors. eta vs tors. theta energy: -78.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1079.612040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.612040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.612040 (E_RNA) where: Base-Base interactions energy: -717.625 where: short stacking energy: -312.572 Base-Backbone interact. energy: 1.834 local terms energy: -363.820966 where: bonds (distance) C4'-P energy: -72.817 bonds (distance) P-C4' energy: -81.751 flat angles C4'-P-C4' energy: -88.576 flat angles P-C4'-P energy: -47.917 tors. eta vs tors. theta energy: -72.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1074.356775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.356775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.356775 (E_RNA) where: Base-Base interactions energy: -721.304 where: short stacking energy: -296.111 Base-Backbone interact. energy: -1.290 local terms energy: -351.762526 where: bonds (distance) C4'-P energy: -66.396 bonds (distance) P-C4' energy: -67.187 flat angles C4'-P-C4' energy: -82.543 flat angles P-C4'-P energy: -53.257 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: 9, replica: 5 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -717.898549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.898549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.898549 (E_RNA) where: Base-Base interactions energy: -438.149 where: short stacking energy: -212.109 Base-Backbone interact. energy: 4.303 local terms energy: -284.053291 where: bonds (distance) C4'-P energy: -68.175 bonds (distance) P-C4' energy: -81.507 flat angles C4'-P-C4' energy: -64.312 flat angles P-C4'-P energy: -40.426 tors. eta vs tors. theta energy: -29.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -322.263666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.263666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.263666 (E_RNA) where: Base-Base interactions energy: -107.454 where: short stacking energy: -93.733 Base-Backbone interact. energy: 0.295 local terms energy: -215.104436 where: bonds (distance) C4'-P energy: -78.269 bonds (distance) P-C4' energy: -76.512 flat angles C4'-P-C4' energy: -46.084 flat angles P-C4'-P energy: -28.075 tors. eta vs tors. theta energy: 13.836 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: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1497.315202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.315202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.315202 (E_RNA) where: Base-Base interactions energy: -1043.717 where: short stacking energy: -428.282 Base-Backbone interact. energy: -2.547 local terms energy: -451.051063 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -83.116 flat angles C4'-P-C4' energy: -100.117 flat angles P-C4'-P energy: -68.274 tors. eta vs tors. theta energy: -117.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1416.265898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.265898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.265898 (E_RNA) where: Base-Base interactions energy: -995.669 where: short stacking energy: -406.228 Base-Backbone interact. energy: 1.590 local terms energy: -422.187851 where: bonds (distance) C4'-P energy: -74.596 bonds (distance) P-C4' energy: -86.146 flat angles C4'-P-C4' energy: -96.862 flat angles P-C4'-P energy: -66.586 tors. eta vs tors. theta energy: -97.998 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: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1382.459583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.459583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.459583 (E_RNA) where: Base-Base interactions energy: -941.526 where: short stacking energy: -417.961 Base-Backbone interact. energy: -0.253 local terms energy: -440.681051 where: bonds (distance) C4'-P energy: -86.238 bonds (distance) P-C4' energy: -99.862 flat angles C4'-P-C4' energy: -83.157 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: -114.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1307.180282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.180282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.180282 (E_RNA) where: Base-Base interactions energy: -911.754 where: short stacking energy: -373.852 Base-Backbone interact. energy: -2.734 local terms energy: -392.692522 where: bonds (distance) C4'-P energy: -65.336 bonds (distance) P-C4' energy: -90.897 flat angles C4'-P-C4' energy: -90.981 flat angles P-C4'-P energy: -49.563 tors. eta vs tors. theta energy: -95.916 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: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1214.810160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.810160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.810160 (E_RNA) where: Base-Base interactions energy: -848.148 where: short stacking energy: -382.065 Base-Backbone interact. energy: 4.539 local terms energy: -371.200219 where: bonds (distance) C4'-P energy: -85.575 bonds (distance) P-C4' energy: -68.374 flat angles C4'-P-C4' energy: -77.342 flat angles P-C4'-P energy: -50.817 tors. eta vs tors. theta energy: -89.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1032.785571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.785571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.785571 (E_RNA) where: Base-Base interactions energy: -677.906 where: short stacking energy: -300.459 Base-Backbone interact. energy: -0.581 local terms energy: -354.298990 where: bonds (distance) C4'-P energy: -79.375 bonds (distance) P-C4' energy: -75.692 flat angles C4'-P-C4' energy: -73.959 flat angles P-C4'-P energy: -55.755 tors. eta vs tors. theta energy: -69.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1083.131251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.131251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.131251 (E_RNA) where: Base-Base interactions energy: -732.618 where: short stacking energy: -327.962 Base-Backbone interact. energy: -0.265 local terms energy: -350.247737 where: bonds (distance) C4'-P energy: -72.392 bonds (distance) P-C4' energy: -70.658 flat angles C4'-P-C4' energy: -73.752 flat angles P-C4'-P energy: -65.259 tors. eta vs tors. theta energy: -68.186 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: 8, replica: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1070.780664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.780664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.780664 (E_RNA) where: Base-Base interactions energy: -745.426 where: short stacking energy: -334.751 Base-Backbone interact. energy: -1.765 local terms energy: -323.589761 where: bonds (distance) C4'-P energy: -57.338 bonds (distance) P-C4' energy: -74.981 flat angles C4'-P-C4' energy: -70.854 flat angles P-C4'-P energy: -37.968 tors. eta vs tors. theta energy: -82.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -667.200662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.200662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.200662 (E_RNA) where: Base-Base interactions energy: -404.628 where: short stacking energy: -195.295 Base-Backbone interact. energy: -1.025 local terms energy: -261.547744 where: bonds (distance) C4'-P energy: -69.376 bonds (distance) P-C4' energy: -57.791 flat angles C4'-P-C4' energy: -69.282 flat angles P-C4'-P energy: -40.067 tors. eta vs tors. theta energy: -25.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -380.359775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.359775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.359775 (E_RNA) where: Base-Base interactions energy: -133.726 where: short stacking energy: -118.472 Base-Backbone interact. energy: 5.641 local terms energy: -252.273974 where: bonds (distance) C4'-P energy: -71.381 bonds (distance) P-C4' energy: -81.897 flat angles C4'-P-C4' energy: -67.763 flat angles P-C4'-P energy: -34.242 tors. eta vs tors. theta energy: 3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1469.340850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.340850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.340850 (E_RNA) where: Base-Base interactions energy: -1012.133 where: short stacking energy: -421.798 Base-Backbone interact. energy: -2.978 local terms energy: -454.230257 where: bonds (distance) C4'-P energy: -88.462 bonds (distance) P-C4' energy: -80.228 flat angles C4'-P-C4' energy: -98.627 flat angles P-C4'-P energy: -71.106 tors. eta vs tors. theta energy: -115.807 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: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1390.860779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.860779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.860779 (E_RNA) where: Base-Base interactions energy: -966.224 where: short stacking energy: -390.805 Base-Backbone interact. energy: -3.703 local terms energy: -420.933779 where: bonds (distance) C4'-P energy: -72.910 bonds (distance) P-C4' energy: -78.411 flat angles C4'-P-C4' energy: -98.121 flat angles P-C4'-P energy: -62.494 tors. eta vs tors. theta energy: -108.998 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: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1367.617095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.617095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.617095 (E_RNA) where: Base-Base interactions energy: -946.847 where: short stacking energy: -414.397 Base-Backbone interact. energy: 0.162 local terms energy: -420.932337 where: bonds (distance) C4'-P energy: -82.283 bonds (distance) P-C4' energy: -85.393 flat angles C4'-P-C4' energy: -88.707 flat angles P-C4'-P energy: -50.181 tors. eta vs tors. theta energy: -114.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1298.919504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.919504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.919504 (E_RNA) where: Base-Base interactions energy: -913.092 where: short stacking energy: -361.495 Base-Backbone interact. energy: -2.367 local terms energy: -383.460226 where: bonds (distance) C4'-P energy: -77.968 bonds (distance) P-C4' energy: -92.753 flat angles C4'-P-C4' energy: -82.874 flat angles P-C4'-P energy: -49.985 tors. eta vs tors. theta energy: -79.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1219.631926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.631926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.631926 (E_RNA) where: Base-Base interactions energy: -842.870 where: short stacking energy: -369.531 Base-Backbone interact. energy: -0.295 local terms energy: -376.466973 where: bonds (distance) C4'-P energy: -69.339 bonds (distance) P-C4' energy: -75.107 flat angles C4'-P-C4' energy: -87.137 flat angles P-C4'-P energy: -51.926 tors. eta vs tors. theta energy: -92.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1092.853185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.853185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.853185 (E_RNA) where: Base-Base interactions energy: -734.776 where: short stacking energy: -326.986 Base-Backbone interact. energy: -0.940 local terms energy: -357.137804 where: bonds (distance) C4'-P energy: -74.094 bonds (distance) P-C4' energy: -86.576 flat angles C4'-P-C4' energy: -77.270 flat angles P-C4'-P energy: -42.227 tors. eta vs tors. theta energy: -76.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -984.977246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.977246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.977246 (E_RNA) where: Base-Base interactions energy: -658.771 where: short stacking energy: -300.112 Base-Backbone interact. energy: -0.168 local terms energy: -326.037942 where: bonds (distance) C4'-P energy: -68.423 bonds (distance) P-C4' energy: -65.254 flat angles C4'-P-C4' energy: -71.630 flat angles P-C4'-P energy: -50.952 tors. eta vs tors. theta energy: -69.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1077.801763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.801763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.801763 (E_RNA) where: Base-Base interactions energy: -736.645 where: short stacking energy: -297.624 Base-Backbone interact. energy: 0.735 local terms energy: -341.891616 where: bonds (distance) C4'-P energy: -73.944 bonds (distance) P-C4' energy: -72.183 flat angles C4'-P-C4' energy: -81.517 flat angles P-C4'-P energy: -40.752 tors. eta vs tors. theta energy: -73.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -680.708504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.708504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.708504 (E_RNA) where: Base-Base interactions energy: -427.677 where: short stacking energy: -212.789 Base-Backbone interact. energy: 2.304 local terms energy: -255.335631 where: bonds (distance) C4'-P energy: -58.805 bonds (distance) P-C4' energy: -56.368 flat angles C4'-P-C4' energy: -63.910 flat angles P-C4'-P energy: -33.724 tors. eta vs tors. theta energy: -42.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -345.415685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.415685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.415685 (E_RNA) where: Base-Base interactions energy: -146.912 where: short stacking energy: -75.036 Base-Backbone interact. energy: -0.478 local terms energy: -198.025005 where: bonds (distance) C4'-P energy: -64.002 bonds (distance) P-C4' energy: -76.486 flat angles C4'-P-C4' energy: -47.775 flat angles P-C4'-P energy: -28.446 tors. eta vs tors. theta energy: 18.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1493.377367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.377367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.377367 (E_RNA) where: Base-Base interactions energy: -1054.154 where: short stacking energy: -450.649 Base-Backbone interact. energy: -1.598 local terms energy: -437.625555 where: bonds (distance) C4'-P energy: -73.903 bonds (distance) P-C4' energy: -86.563 flat angles C4'-P-C4' energy: -94.674 flat angles P-C4'-P energy: -61.301 tors. eta vs tors. theta energy: -121.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1391.033307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.033307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.033307 (E_RNA) where: Base-Base interactions energy: -977.402 where: short stacking energy: -392.013 Base-Backbone interact. energy: 4.501 local terms energy: -418.132473 where: bonds (distance) C4'-P energy: -74.135 bonds (distance) P-C4' energy: -84.526 flat angles C4'-P-C4' energy: -94.678 flat angles P-C4'-P energy: -69.963 tors. eta vs tors. theta energy: -94.830 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: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1372.699080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.699080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.699080 (E_RNA) where: Base-Base interactions energy: -955.401 where: short stacking energy: -390.287 Base-Backbone interact. energy: -1.655 local terms energy: -415.642813 where: bonds (distance) C4'-P energy: -79.423 bonds (distance) P-C4' energy: -78.882 flat angles C4'-P-C4' energy: -85.254 flat angles P-C4'-P energy: -57.266 tors. eta vs tors. theta energy: -114.818 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: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1312.111387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.111387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.111387 (E_RNA) where: Base-Base interactions energy: -909.549 where: short stacking energy: -368.247 Base-Backbone interact. energy: -0.102 local terms energy: -402.459957 where: bonds (distance) C4'-P energy: -87.895 bonds (distance) P-C4' energy: -81.026 flat angles C4'-P-C4' energy: -87.384 flat angles P-C4'-P energy: -56.839 tors. eta vs tors. theta energy: -89.316 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: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1242.653417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.653417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.653417 (E_RNA) where: Base-Base interactions energy: -872.089 where: short stacking energy: -343.609 Base-Backbone interact. energy: -0.934 local terms energy: -369.630150 where: bonds (distance) C4'-P energy: -67.102 bonds (distance) P-C4' energy: -75.859 flat angles C4'-P-C4' energy: -86.737 flat angles P-C4'-P energy: -49.903 tors. eta vs tors. theta energy: -90.029 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: 116 Temperature: 1.150000 Total energy: -1108.286711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.286711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.286711 (E_RNA) where: Base-Base interactions energy: -720.992 where: short stacking energy: -317.292 Base-Backbone interact. energy: -2.100 local terms energy: -385.195002 where: bonds (distance) C4'-P energy: -77.079 bonds (distance) P-C4' energy: -75.135 flat angles C4'-P-C4' energy: -91.973 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: -78.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1076.593832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.593832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.593832 (E_RNA) where: Base-Base interactions energy: -744.654 where: short stacking energy: -315.698 Base-Backbone interact. energy: -1.084 local terms energy: -330.856273 where: bonds (distance) C4'-P energy: -64.493 bonds (distance) P-C4' energy: -70.701 flat angles C4'-P-C4' energy: -67.896 flat angles P-C4'-P energy: -53.362 tors. eta vs tors. theta energy: -74.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -956.582145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.582145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.582145 (E_RNA) where: Base-Base interactions energy: -645.061 where: short stacking energy: -270.151 Base-Backbone interact. energy: -2.002 local terms energy: -309.518793 where: bonds (distance) C4'-P energy: -66.716 bonds (distance) P-C4' energy: -70.971 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -46.503 tors. eta vs tors. theta energy: -55.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -648.102407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.102407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.102407 (E_RNA) where: Base-Base interactions energy: -379.293 where: short stacking energy: -188.939 Base-Backbone interact. energy: 3.384 local terms energy: -272.193060 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -76.388 flat angles C4'-P-C4' energy: -69.905 flat angles P-C4'-P energy: -30.970 tors. eta vs tors. theta energy: -28.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -411.237279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.237279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.237279 (E_RNA) where: Base-Base interactions energy: -194.670 where: short stacking energy: -117.326 Base-Backbone interact. energy: -1.081 local terms energy: -215.486374 where: bonds (distance) C4'-P energy: -63.280 bonds (distance) P-C4' energy: -59.459 flat angles C4'-P-C4' energy: -71.702 flat angles P-C4'-P energy: -29.558 tors. eta vs tors. theta energy: 8.512 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: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1477.279368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.279368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.279368 (E_RNA) where: Base-Base interactions energy: -1026.187 where: short stacking energy: -438.119 Base-Backbone interact. energy: -2.688 local terms energy: -448.404345 where: bonds (distance) C4'-P energy: -83.953 bonds (distance) P-C4' energy: -90.016 flat angles C4'-P-C4' energy: -91.634 flat angles P-C4'-P energy: -65.381 tors. eta vs tors. theta energy: -117.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1398.046634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.046634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.046634 (E_RNA) where: Base-Base interactions energy: -970.723 where: short stacking energy: -396.944 Base-Backbone interact. energy: -2.314 local terms energy: -425.009539 where: bonds (distance) C4'-P energy: -82.468 bonds (distance) P-C4' energy: -92.592 flat angles C4'-P-C4' energy: -103.829 flat angles P-C4'-P energy: -54.309 tors. eta vs tors. theta energy: -91.811 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: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1376.753394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.753394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.753394 (E_RNA) where: Base-Base interactions energy: -945.715 where: short stacking energy: -412.476 Base-Backbone interact. energy: -0.896 local terms energy: -430.141506 where: bonds (distance) C4'-P energy: -77.347 bonds (distance) P-C4' energy: -81.050 flat angles C4'-P-C4' energy: -91.306 flat angles P-C4'-P energy: -63.538 tors. eta vs tors. theta energy: -116.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1300.593241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.593241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.593241 (E_RNA) where: Base-Base interactions energy: -903.775 where: short stacking energy: -361.284 Base-Backbone interact. energy: -4.779 local terms energy: -392.038920 where: bonds (distance) C4'-P energy: -71.918 bonds (distance) P-C4' energy: -81.756 flat angles C4'-P-C4' energy: -81.629 flat angles P-C4'-P energy: -70.445 tors. eta vs tors. theta energy: -86.292 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: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1243.397697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.397697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.397697 (E_RNA) where: Base-Base interactions energy: -864.424 where: short stacking energy: -355.558 Base-Backbone interact. energy: -0.394 local terms energy: -378.579790 where: bonds (distance) C4'-P energy: -68.376 bonds (distance) P-C4' energy: -73.533 flat angles C4'-P-C4' energy: -82.107 flat angles P-C4'-P energy: -62.459 tors. eta vs tors. theta energy: -92.105 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: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1102.872545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.872545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.872545 (E_RNA) where: Base-Base interactions energy: -730.934 where: short stacking energy: -316.842 Base-Backbone interact. energy: -0.097 local terms energy: -371.840799 where: bonds (distance) C4'-P energy: -79.574 bonds (distance) P-C4' energy: -80.619 flat angles C4'-P-C4' energy: -86.725 flat angles P-C4'-P energy: -49.334 tors. eta vs tors. theta energy: -75.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1106.363330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.363330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.363330 (E_RNA) where: Base-Base interactions energy: -763.001 where: short stacking energy: -332.534 Base-Backbone interact. energy: -1.695 local terms energy: -341.666941 where: bonds (distance) C4'-P energy: -57.033 bonds (distance) P-C4' energy: -71.636 flat angles C4'-P-C4' energy: -86.154 flat angles P-C4'-P energy: -44.922 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: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1035.417945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.417945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.417945 (E_RNA) where: Base-Base interactions energy: -691.335 where: short stacking energy: -311.105 Base-Backbone interact. energy: 2.350 local terms energy: -346.432760 where: bonds (distance) C4'-P energy: -74.439 bonds (distance) P-C4' energy: -75.810 flat angles C4'-P-C4' energy: -77.546 flat angles P-C4'-P energy: -40.128 tors. eta vs tors. theta energy: -78.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -631.125047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.125047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.125047 (E_RNA) where: Base-Base interactions energy: -351.506 where: short stacking energy: -207.622 Base-Backbone interact. energy: 0.029 local terms energy: -279.648217 where: bonds (distance) C4'-P energy: -72.904 bonds (distance) P-C4' energy: -68.471 flat angles C4'-P-C4' energy: -58.036 flat angles P-C4'-P energy: -48.458 tors. eta vs tors. theta energy: -31.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -362.031250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.031250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.031250 (E_RNA) where: Base-Base interactions energy: -153.735 where: short stacking energy: -117.265 Base-Backbone interact. energy: -0.273 local terms energy: -208.022857 where: bonds (distance) C4'-P energy: -66.519 bonds (distance) P-C4' energy: -69.563 flat angles C4'-P-C4' energy: -62.097 flat angles P-C4'-P energy: -27.572 tors. eta vs tors. theta energy: 17.728 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: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1479.897294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.897294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.897294 (E_RNA) where: Base-Base interactions energy: -1018.442 where: short stacking energy: -420.222 Base-Backbone interact. energy: -1.899 local terms energy: -459.557284 where: bonds (distance) C4'-P energy: -81.599 bonds (distance) P-C4' energy: -88.184 flat angles C4'-P-C4' energy: -100.699 flat angles P-C4'-P energy: -69.976 tors. eta vs tors. theta energy: -119.100 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: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1396.121951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.121951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.121951 (E_RNA) where: Base-Base interactions energy: -967.676 where: short stacking energy: -390.659 Base-Backbone interact. energy: 2.761 local terms energy: -431.207510 where: bonds (distance) C4'-P energy: -85.141 bonds (distance) P-C4' energy: -86.718 flat angles C4'-P-C4' energy: -97.765 flat angles P-C4'-P energy: -68.839 tors. eta vs tors. theta energy: -92.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1374.720665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.720665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.720665 (E_RNA) where: Base-Base interactions energy: -948.592 where: short stacking energy: -407.435 Base-Backbone interact. energy: -2.423 local terms energy: -423.705308 where: bonds (distance) C4'-P energy: -81.617 bonds (distance) P-C4' energy: -85.541 flat angles C4'-P-C4' energy: -87.063 flat angles P-C4'-P energy: -60.601 tors. eta vs tors. theta energy: -108.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1289.135031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.135031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.135031 (E_RNA) where: Base-Base interactions energy: -904.359 where: short stacking energy: -355.410 Base-Backbone interact. energy: -1.301 local terms energy: -383.474903 where: bonds (distance) C4'-P energy: -77.997 bonds (distance) P-C4' energy: -79.714 flat angles C4'-P-C4' energy: -84.739 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -86.563 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: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1270.330169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.330169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.330169 (E_RNA) where: Base-Base interactions energy: -868.063 where: short stacking energy: -356.519 Base-Backbone interact. energy: -4.052 local terms energy: -398.215338 where: bonds (distance) C4'-P energy: -77.801 bonds (distance) P-C4' energy: -81.353 flat angles C4'-P-C4' energy: -77.549 flat angles P-C4'-P energy: -65.459 tors. eta vs tors. theta energy: -96.053 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: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1091.273898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.273898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.273898 (E_RNA) where: Base-Base interactions energy: -729.265 where: short stacking energy: -310.361 Base-Backbone interact. energy: -2.404 local terms energy: -359.605152 where: bonds (distance) C4'-P energy: -74.899 bonds (distance) P-C4' energy: -79.014 flat angles C4'-P-C4' energy: -77.916 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -80.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1174.566266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.566266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.566266 (E_RNA) where: Base-Base interactions energy: -811.638 where: short stacking energy: -364.230 Base-Backbone interact. energy: -0.916 local terms energy: -362.011782 where: bonds (distance) C4'-P energy: -61.736 bonds (distance) P-C4' energy: -70.645 flat angles C4'-P-C4' energy: -88.835 flat angles P-C4'-P energy: -47.452 tors. eta vs tors. theta energy: -93.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1027.869551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.869551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.869551 (E_RNA) where: Base-Base interactions energy: -670.198 where: short stacking energy: -289.133 Base-Backbone interact. energy: 0.276 local terms energy: -357.947254 where: bonds (distance) C4'-P energy: -73.539 bonds (distance) P-C4' energy: -71.068 flat angles C4'-P-C4' energy: -80.000 flat angles P-C4'-P energy: -63.050 tors. eta vs tors. theta energy: -70.290 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: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -605.566196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.566196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.566196 (E_RNA) where: Base-Base interactions energy: -349.001 where: short stacking energy: -156.438 Base-Backbone interact. energy: -1.614 local terms energy: -254.950925 where: bonds (distance) C4'-P energy: -70.277 bonds (distance) P-C4' energy: -80.749 flat angles C4'-P-C4' energy: -59.940 flat angles P-C4'-P energy: -41.493 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -431.684875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.684875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.684875 (E_RNA) where: Base-Base interactions energy: -215.822 where: short stacking energy: -143.158 Base-Backbone interact. energy: 0.415 local terms energy: -216.278021 where: bonds (distance) C4'-P energy: -65.998 bonds (distance) P-C4' energy: -58.795 flat angles C4'-P-C4' energy: -67.223 flat angles P-C4'-P energy: -27.285 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: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1522.979153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.979153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.979153 (E_RNA) where: Base-Base interactions energy: -1052.789 where: short stacking energy: -436.630 Base-Backbone interact. energy: -3.482 local terms energy: -466.708124 where: bonds (distance) C4'-P energy: -81.858 bonds (distance) P-C4' energy: -92.538 flat angles C4'-P-C4' energy: -101.492 flat angles P-C4'-P energy: -73.684 tors. eta vs tors. theta energy: -117.136 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: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1417.328635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.328635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.328635 (E_RNA) where: Base-Base interactions energy: -991.482 where: short stacking energy: -394.968 Base-Backbone interact. energy: -1.987 local terms energy: -423.859812 where: bonds (distance) C4'-P energy: -80.128 bonds (distance) P-C4' energy: -79.937 flat angles C4'-P-C4' energy: -88.922 flat angles P-C4'-P energy: -68.495 tors. eta vs tors. theta energy: -106.378 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: 119 Temperature: 1.000000 Total energy: -1387.278820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.278820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.278820 (E_RNA) where: Base-Base interactions energy: -950.072 where: short stacking energy: -405.405 Base-Backbone interact. energy: -0.503 local terms energy: -436.704220 where: bonds (distance) C4'-P energy: -75.473 bonds (distance) P-C4' energy: -82.789 flat angles C4'-P-C4' energy: -98.646 flat angles P-C4'-P energy: -71.501 tors. eta vs tors. theta energy: -108.295 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: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1299.335430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.335430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.335430 (E_RNA) where: Base-Base interactions energy: -910.698 where: short stacking energy: -383.642 Base-Backbone interact. energy: -2.119 local terms energy: -386.518668 where: bonds (distance) C4'-P energy: -71.640 bonds (distance) P-C4' energy: -85.456 flat angles C4'-P-C4' energy: -88.567 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -97.286 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: 5, replica: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1243.554878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.554878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.554878 (E_RNA) where: Base-Base interactions energy: -865.907 where: short stacking energy: -340.905 Base-Backbone interact. energy: -2.679 local terms energy: -374.969318 where: bonds (distance) C4'-P energy: -73.948 bonds (distance) P-C4' energy: -73.031 flat angles C4'-P-C4' energy: -79.461 flat angles P-C4'-P energy: -50.693 tors. eta vs tors. theta energy: -97.836 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: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1182.603038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.603038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.603038 (E_RNA) where: Base-Base interactions energy: -805.169 where: short stacking energy: -368.324 Base-Backbone interact. energy: -0.809 local terms energy: -376.624893 where: bonds (distance) C4'-P energy: -75.217 bonds (distance) P-C4' energy: -79.341 flat angles C4'-P-C4' energy: -82.323 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: -89.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1064.474693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.474693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.474693 (E_RNA) where: Base-Base interactions energy: -713.199 where: short stacking energy: -314.494 Base-Backbone interact. energy: 0.737 local terms energy: -352.012905 where: bonds (distance) C4'-P energy: -59.763 bonds (distance) P-C4' energy: -72.415 flat angles C4'-P-C4' energy: -79.998 flat angles P-C4'-P energy: -57.654 tors. eta vs tors. theta energy: -82.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1001.484617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.484617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.484617 (E_RNA) where: Base-Base interactions energy: -672.185 where: short stacking energy: -296.670 Base-Backbone interact. energy: -1.979 local terms energy: -327.320565 where: bonds (distance) C4'-P energy: -63.795 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -80.288 flat angles P-C4'-P energy: -43.340 tors. eta vs tors. theta energy: -67.527 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: 5 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -590.584405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.584405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.584405 (E_RNA) where: Base-Base interactions energy: -332.894 where: short stacking energy: -199.411 Base-Backbone interact. energy: -2.831 local terms energy: -254.859511 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -45.863 flat angles P-C4'-P energy: -47.594 tors. eta vs tors. theta energy: -26.193 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: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -441.255846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.255846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.255846 (E_RNA) where: Base-Base interactions energy: -207.236 where: short stacking energy: -139.739 Base-Backbone interact. energy: 0.489 local terms energy: -234.508826 where: bonds (distance) C4'-P energy: -63.080 bonds (distance) P-C4' energy: -57.395 flat angles C4'-P-C4' energy: -65.764 flat angles P-C4'-P energy: -45.031 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1518.690526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.690526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.690526 (E_RNA) where: Base-Base interactions energy: -1055.651 where: short stacking energy: -435.841 Base-Backbone interact. energy: -1.572 local terms energy: -461.466861 where: bonds (distance) C4'-P energy: -89.643 bonds (distance) P-C4' energy: -84.664 flat angles C4'-P-C4' energy: -102.238 flat angles P-C4'-P energy: -63.693 tors. eta vs tors. theta energy: -121.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1413.266762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.266762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.266762 (E_RNA) where: Base-Base interactions energy: -981.140 where: short stacking energy: -380.833 Base-Backbone interact. energy: -1.386 local terms energy: -430.741013 where: bonds (distance) C4'-P energy: -90.803 bonds (distance) P-C4' energy: -93.431 flat angles C4'-P-C4' energy: -90.859 flat angles P-C4'-P energy: -60.929 tors. eta vs tors. theta energy: -94.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1359.330100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.330100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.330100 (E_RNA) where: Base-Base interactions energy: -951.889 where: short stacking energy: -399.397 Base-Backbone interact. energy: -1.418 local terms energy: -406.023459 where: bonds (distance) C4'-P energy: -74.382 bonds (distance) P-C4' energy: -84.025 flat angles C4'-P-C4' energy: -92.835 flat angles P-C4'-P energy: -50.360 tors. eta vs tors. theta energy: -104.422 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: 120 Temperature: 1.050000 Total energy: -1327.696855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.696855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.696855 (E_RNA) where: Base-Base interactions energy: -922.242 where: short stacking energy: -391.424 Base-Backbone interact. energy: -1.392 local terms energy: -404.062627 where: bonds (distance) C4'-P energy: -80.915 bonds (distance) P-C4' energy: -69.211 flat angles C4'-P-C4' energy: -87.275 flat angles P-C4'-P energy: -60.603 tors. eta vs tors. theta energy: -106.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1229.415997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.415997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.415997 (E_RNA) where: Base-Base interactions energy: -870.524 where: short stacking energy: -344.730 Base-Backbone interact. energy: -0.950 local terms energy: -357.941222 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -71.932 flat angles C4'-P-C4' energy: -81.456 flat angles P-C4'-P energy: -53.363 tors. eta vs tors. theta energy: -88.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1207.391913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.391913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.391913 (E_RNA) where: Base-Base interactions energy: -816.639 where: short stacking energy: -379.636 Base-Backbone interact. energy: -1.569 local terms energy: -389.183216 where: bonds (distance) C4'-P energy: -68.063 bonds (distance) P-C4' energy: -74.038 flat angles C4'-P-C4' energy: -86.438 flat angles P-C4'-P energy: -60.357 tors. eta vs tors. theta energy: -100.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1055.471189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.471189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.471189 (E_RNA) where: Base-Base interactions energy: -705.549 where: short stacking energy: -302.395 Base-Backbone interact. energy: -1.889 local terms energy: -348.595512 where: bonds (distance) C4'-P energy: -68.116 bonds (distance) P-C4' energy: -76.846 flat angles C4'-P-C4' energy: -89.047 flat angles P-C4'-P energy: -39.264 tors. eta vs tors. theta energy: -75.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.563 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -968.935815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.935815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.935815 (E_RNA) where: Base-Base interactions energy: -634.673 where: short stacking energy: -308.207 Base-Backbone interact. energy: 2.846 local terms energy: -337.108916 where: bonds (distance) C4'-P energy: -66.526 bonds (distance) P-C4' energy: -74.355 flat angles C4'-P-C4' energy: -76.476 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: -71.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -624.313015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.313015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.313015 (E_RNA) where: Base-Base interactions energy: -369.379 where: short stacking energy: -190.810 Base-Backbone interact. energy: -2.446 local terms energy: -252.487896 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -64.423 flat angles C4'-P-C4' energy: -72.149 flat angles P-C4'-P energy: -39.507 tors. eta vs tors. theta energy: -12.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -429.228681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.228681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.228681 (E_RNA) where: Base-Base interactions energy: -194.616 where: short stacking energy: -137.692 Base-Backbone interact. energy: -0.148 local terms energy: -234.465028 where: bonds (distance) C4'-P energy: -67.468 bonds (distance) P-C4' energy: -65.998 flat angles C4'-P-C4' energy: -71.751 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: 7.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1469.793300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.793300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.793300 (E_RNA) where: Base-Base interactions energy: -1031.304 where: short stacking energy: -435.906 Base-Backbone interact. energy: -2.655 local terms energy: -435.833902 where: bonds (distance) C4'-P energy: -83.654 bonds (distance) P-C4' energy: -81.681 flat angles C4'-P-C4' energy: -93.266 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -121.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1414.353137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.353137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.353137 (E_RNA) where: Base-Base interactions energy: -983.918 where: short stacking energy: -403.942 Base-Backbone interact. energy: -0.654 local terms energy: -429.781211 where: bonds (distance) C4'-P energy: -88.138 bonds (distance) P-C4' energy: -86.740 flat angles C4'-P-C4' energy: -92.313 flat angles P-C4'-P energy: -65.740 tors. eta vs tors. theta energy: -96.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1371.677929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.677929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.677929 (E_RNA) where: Base-Base interactions energy: -958.676 where: short stacking energy: -402.048 Base-Backbone interact. energy: 0.426 local terms energy: -413.428026 where: bonds (distance) C4'-P energy: -79.894 bonds (distance) P-C4' energy: -81.471 flat angles C4'-P-C4' energy: -85.332 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -115.855 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: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1326.538973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.538973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.538973 (E_RNA) where: Base-Base interactions energy: -926.131 where: short stacking energy: -391.665 Base-Backbone interact. energy: -1.871 local terms energy: -398.536965 where: bonds (distance) C4'-P energy: -69.701 bonds (distance) P-C4' energy: -79.078 flat angles C4'-P-C4' energy: -85.009 flat angles P-C4'-P energy: -56.832 tors. eta vs tors. theta energy: -107.917 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: 121 Temperature: 1.100000 Total energy: -1285.372333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.372333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.372333 (E_RNA) where: Base-Base interactions energy: -906.401 where: short stacking energy: -371.180 Base-Backbone interact. energy: -5.250 local terms energy: -373.721025 where: bonds (distance) C4'-P energy: -83.835 bonds (distance) P-C4' energy: -63.924 flat angles C4'-P-C4' energy: -86.849 flat angles P-C4'-P energy: -41.321 tors. eta vs tors. theta energy: -97.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1213.954803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.954803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.954803 (E_RNA) where: Base-Base interactions energy: -838.749 where: short stacking energy: -363.442 Base-Backbone interact. energy: -1.948 local terms energy: -373.258132 where: bonds (distance) C4'-P energy: -82.303 bonds (distance) P-C4' energy: -60.148 flat angles C4'-P-C4' energy: -82.701 flat angles P-C4'-P energy: -53.192 tors. eta vs tors. theta energy: -94.914 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: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1089.798036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.798036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.798036 (E_RNA) where: Base-Base interactions energy: -748.491 where: short stacking energy: -301.185 Base-Backbone interact. energy: -1.181 local terms energy: -340.125127 where: bonds (distance) C4'-P energy: -63.105 bonds (distance) P-C4' energy: -65.345 flat angles C4'-P-C4' energy: -82.704 flat angles P-C4'-P energy: -46.247 tors. eta vs tors. theta energy: -82.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -987.570476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.570476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.570476 (E_RNA) where: Base-Base interactions energy: -674.832 where: short stacking energy: -295.171 Base-Backbone interact. energy: -1.463 local terms energy: -311.275222 where: bonds (distance) C4'-P energy: -63.026 bonds (distance) P-C4' energy: -57.081 flat angles C4'-P-C4' energy: -73.312 flat angles P-C4'-P energy: -41.659 tors. eta vs tors. theta energy: -76.198 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: 5 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -679.544869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.544869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.544869 (E_RNA) where: Base-Base interactions energy: -401.098 where: short stacking energy: -196.376 Base-Backbone interact. energy: -0.062 local terms energy: -278.385062 where: bonds (distance) C4'-P energy: -73.227 bonds (distance) P-C4' energy: -84.003 flat angles C4'-P-C4' energy: -47.675 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: -26.960 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: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -454.143309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.143309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.143309 (E_RNA) where: Base-Base interactions energy: -229.954 where: short stacking energy: -139.372 Base-Backbone interact. energy: 1.793 local terms energy: -225.981760 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -58.592 flat angles C4'-P-C4' energy: -64.459 flat angles P-C4'-P energy: -30.828 tors. eta vs tors. theta energy: -8.402 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: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1492.880248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.880248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.880248 (E_RNA) where: Base-Base interactions energy: -1049.831 where: short stacking energy: -440.315 Base-Backbone interact. energy: -2.901 local terms energy: -440.148182 where: bonds (distance) C4'-P energy: -76.315 bonds (distance) P-C4' energy: -81.379 flat angles C4'-P-C4' energy: -105.198 flat angles P-C4'-P energy: -58.487 tors. eta vs tors. theta energy: -118.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1399.215813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.215813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.215813 (E_RNA) where: Base-Base interactions energy: -962.607 where: short stacking energy: -389.322 Base-Backbone interact. energy: -1.780 local terms energy: -434.828713 where: bonds (distance) C4'-P energy: -93.461 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -100.316 flat angles P-C4'-P energy: -62.732 tors. eta vs tors. theta energy: -108.337 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: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1404.955695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.955695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.955695 (E_RNA) where: Base-Base interactions energy: -972.485 where: short stacking energy: -408.494 Base-Backbone interact. energy: -1.055 local terms energy: -431.414986 where: bonds (distance) C4'-P energy: -83.065 bonds (distance) P-C4' energy: -82.233 flat angles C4'-P-C4' energy: -100.463 flat angles P-C4'-P energy: -53.075 tors. eta vs tors. theta energy: -112.580 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: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1320.081947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.081947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.081947 (E_RNA) where: Base-Base interactions energy: -912.317 where: short stacking energy: -376.728 Base-Backbone interact. energy: -2.095 local terms energy: -405.669883 where: bonds (distance) C4'-P energy: -68.569 bonds (distance) P-C4' energy: -84.681 flat angles C4'-P-C4' energy: -84.521 flat angles P-C4'-P energy: -57.101 tors. eta vs tors. theta energy: -110.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1286.322434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.322434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.322434 (E_RNA) where: Base-Base interactions energy: -884.600 where: short stacking energy: -376.955 Base-Backbone interact. energy: -2.907 local terms energy: -398.815497 where: bonds (distance) C4'-P energy: -73.651 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -80.736 flat angles P-C4'-P energy: -57.734 tors. eta vs tors. theta energy: -103.402 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: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1246.031601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.031601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.031601 (E_RNA) where: Base-Base interactions energy: -823.662 where: short stacking energy: -370.193 Base-Backbone interact. energy: -1.362 local terms energy: -421.008082 where: bonds (distance) C4'-P energy: -72.517 bonds (distance) P-C4' energy: -89.108 flat angles C4'-P-C4' energy: -92.363 flat angles P-C4'-P energy: -60.513 tors. eta vs tors. theta energy: -106.508 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: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1098.355529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.355529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.355529 (E_RNA) where: Base-Base interactions energy: -748.740 where: short stacking energy: -324.796 Base-Backbone interact. energy: -2.928 local terms energy: -346.687780 where: bonds (distance) C4'-P energy: -71.691 bonds (distance) P-C4' energy: -57.196 flat angles C4'-P-C4' energy: -89.537 flat angles P-C4'-P energy: -41.622 tors. eta vs tors. theta energy: -86.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -964.426295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.426295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.426295 (E_RNA) where: Base-Base interactions energy: -621.366 where: short stacking energy: -263.689 Base-Backbone interact. energy: 2.989 local terms energy: -346.048731 where: bonds (distance) C4'-P energy: -87.205 bonds (distance) P-C4' energy: -65.544 flat angles C4'-P-C4' energy: -86.099 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -59.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -630.353212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.353212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.353212 (E_RNA) where: Base-Base interactions energy: -356.371 where: short stacking energy: -179.584 Base-Backbone interact. energy: -0.060 local terms energy: -273.921461 where: bonds (distance) C4'-P energy: -78.124 bonds (distance) P-C4' energy: -74.050 flat angles C4'-P-C4' energy: -66.103 flat angles P-C4'-P energy: -24.662 tors. eta vs tors. theta energy: -30.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -435.607966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.607966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.607966 (E_RNA) where: Base-Base interactions energy: -222.339 where: short stacking energy: -151.680 Base-Backbone interact. energy: 1.792 local terms energy: -215.061624 where: bonds (distance) C4'-P energy: -69.782 bonds (distance) P-C4' energy: -58.710 flat angles C4'-P-C4' energy: -53.110 flat angles P-C4'-P energy: -27.358 tors. eta vs tors. theta energy: -6.102 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: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1501.092187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.092187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.092187 (E_RNA) where: Base-Base interactions energy: -1041.436 where: short stacking energy: -445.901 Base-Backbone interact. energy: -0.711 local terms energy: -458.945379 where: bonds (distance) C4'-P energy: -80.663 bonds (distance) P-C4' energy: -86.869 flat angles C4'-P-C4' energy: -103.819 flat angles P-C4'-P energy: -59.234 tors. eta vs tors. theta energy: -128.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1411.842117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.842117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.842117 (E_RNA) where: Base-Base interactions energy: -990.597 where: short stacking energy: -411.107 Base-Backbone interact. energy: -1.806 local terms energy: -419.438454 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -84.128 flat angles C4'-P-C4' energy: -94.789 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: -106.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1430.181620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.181620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.181620 (E_RNA) where: Base-Base interactions energy: -1006.127 where: short stacking energy: -435.074 Base-Backbone interact. energy: -3.936 local terms energy: -420.118644 where: bonds (distance) C4'-P energy: -70.063 bonds (distance) P-C4' energy: -69.905 flat angles C4'-P-C4' energy: -98.191 flat angles P-C4'-P energy: -63.981 tors. eta vs tors. theta energy: -117.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1333.480353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.480353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.480353 (E_RNA) where: Base-Base interactions energy: -898.750 where: short stacking energy: -390.738 Base-Backbone interact. energy: -2.594 local terms energy: -432.136711 where: bonds (distance) C4'-P energy: -81.780 bonds (distance) P-C4' energy: -85.957 flat angles C4'-P-C4' energy: -95.417 flat angles P-C4'-P energy: -58.406 tors. eta vs tors. theta energy: -110.576 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: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1242.824393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.824393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.824393 (E_RNA) where: Base-Base interactions energy: -879.128 where: short stacking energy: -356.645 Base-Backbone interact. energy: -1.618 local terms energy: -362.078802 where: bonds (distance) C4'-P energy: -67.288 bonds (distance) P-C4' energy: -78.880 flat angles C4'-P-C4' energy: -67.410 flat angles P-C4'-P energy: -49.681 tors. eta vs tors. theta energy: -98.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1203.839551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.839551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.839551 (E_RNA) where: Base-Base interactions energy: -834.387 where: short stacking energy: -347.128 Base-Backbone interact. energy: -1.006 local terms energy: -368.446997 where: bonds (distance) C4'-P energy: -65.831 bonds (distance) P-C4' energy: -77.584 flat angles C4'-P-C4' energy: -92.340 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: -90.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1129.904334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.904334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.904334 (E_RNA) where: Base-Base interactions energy: -786.071 where: short stacking energy: -339.189 Base-Backbone interact. energy: -2.212 local terms energy: -341.621537 where: bonds (distance) C4'-P energy: -73.658 bonds (distance) P-C4' energy: -60.695 flat angles C4'-P-C4' energy: -80.575 flat angles P-C4'-P energy: -53.493 tors. eta vs tors. theta energy: -73.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -930.795863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.795863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.795863 (E_RNA) where: Base-Base interactions energy: -592.698 where: short stacking energy: -262.879 Base-Backbone interact. energy: 3.111 local terms energy: -341.208646 where: bonds (distance) C4'-P energy: -69.283 bonds (distance) P-C4' energy: -77.578 flat angles C4'-P-C4' energy: -76.027 flat angles P-C4'-P energy: -61.316 tors. eta vs tors. theta energy: -57.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -607.196320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.196320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.196320 (E_RNA) where: Base-Base interactions energy: -350.452 where: short stacking energy: -194.077 Base-Backbone interact. energy: -2.554 local terms energy: -254.189959 where: bonds (distance) C4'-P energy: -51.357 bonds (distance) P-C4' energy: -78.956 flat angles C4'-P-C4' energy: -63.316 flat angles P-C4'-P energy: -32.225 tors. eta vs tors. theta energy: -28.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -420.110063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.110063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.110063 (E_RNA) where: Base-Base interactions energy: -199.017 where: short stacking energy: -113.872 Base-Backbone interact. energy: -1.997 local terms energy: -219.096811 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -87.217 flat angles C4'-P-C4' energy: -50.208 flat angles P-C4'-P energy: -32.179 tors. eta vs tors. theta energy: 19.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1507.722563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.722563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.722563 (E_RNA) where: Base-Base interactions energy: -1057.706 where: short stacking energy: -435.208 Base-Backbone interact. energy: -3.874 local terms energy: -446.142855 where: bonds (distance) C4'-P energy: -79.259 bonds (distance) P-C4' energy: -85.471 flat angles C4'-P-C4' energy: -104.315 flat angles P-C4'-P energy: -59.055 tors. eta vs tors. theta energy: -118.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1380.780204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.780204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.780204 (E_RNA) where: Base-Base interactions energy: -959.651 where: short stacking energy: -388.434 Base-Backbone interact. energy: -1.878 local terms energy: -419.251208 where: bonds (distance) C4'-P energy: -83.806 bonds (distance) P-C4' energy: -81.552 flat angles C4'-P-C4' energy: -90.448 flat angles P-C4'-P energy: -64.451 tors. eta vs tors. theta energy: -98.995 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: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1395.026721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.026721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.026721 (E_RNA) where: Base-Base interactions energy: -952.991 where: short stacking energy: -394.215 Base-Backbone interact. energy: -1.858 local terms energy: -440.177771 where: bonds (distance) C4'-P energy: -79.023 bonds (distance) P-C4' energy: -93.662 flat angles C4'-P-C4' energy: -89.922 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -111.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1299.441523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.441523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.441523 (E_RNA) where: Base-Base interactions energy: -880.043 where: short stacking energy: -376.211 Base-Backbone interact. energy: -4.493 local terms energy: -414.905116 where: bonds (distance) C4'-P energy: -77.854 bonds (distance) P-C4' energy: -84.623 flat angles C4'-P-C4' energy: -92.856 flat angles P-C4'-P energy: -62.644 tors. eta vs tors. theta energy: -96.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1263.255487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.255487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.255487 (E_RNA) where: Base-Base interactions energy: -881.038 where: short stacking energy: -368.542 Base-Backbone interact. energy: -0.978 local terms energy: -381.238948 where: bonds (distance) C4'-P energy: -58.684 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -86.936 flat angles P-C4'-P energy: -56.013 tors. eta vs tors. theta energy: -99.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1200.668868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.668868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.668868 (E_RNA) where: Base-Base interactions energy: -840.630 where: short stacking energy: -356.850 Base-Backbone interact. energy: 0.254 local terms energy: -360.292457 where: bonds (distance) C4'-P energy: -67.666 bonds (distance) P-C4' energy: -74.755 flat angles C4'-P-C4' energy: -65.390 flat angles P-C4'-P energy: -50.656 tors. eta vs tors. theta energy: -101.825 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: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1137.447601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.447601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.447601 (E_RNA) where: Base-Base interactions energy: -777.148 where: short stacking energy: -333.096 Base-Backbone interact. energy: -2.567 local terms energy: -357.732533 where: bonds (distance) C4'-P energy: -65.899 bonds (distance) P-C4' energy: -83.889 flat angles C4'-P-C4' energy: -86.184 flat angles P-C4'-P energy: -50.067 tors. eta vs tors. theta energy: -71.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -904.540678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.540678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.540678 (E_RNA) where: Base-Base interactions energy: -609.686 where: short stacking energy: -295.613 Base-Backbone interact. energy: 0.897 local terms energy: -295.751937 where: bonds (distance) C4'-P energy: -55.619 bonds (distance) P-C4' energy: -57.880 flat angles C4'-P-C4' energy: -64.898 flat angles P-C4'-P energy: -42.933 tors. eta vs tors. theta energy: -74.422 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: 5 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -637.090451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.090451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.090451 (E_RNA) where: Base-Base interactions energy: -380.252 where: short stacking energy: -167.953 Base-Backbone interact. energy: -3.323 local terms energy: -253.515089 where: bonds (distance) C4'-P energy: -64.049 bonds (distance) P-C4' energy: -69.998 flat angles C4'-P-C4' energy: -64.680 flat angles P-C4'-P energy: -41.886 tors. eta vs tors. theta energy: -12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -458.723020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.723020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.723020 (E_RNA) where: Base-Base interactions energy: -216.358 where: short stacking energy: -133.571 Base-Backbone interact. energy: -0.931 local terms energy: -241.433425 where: bonds (distance) C4'-P energy: -75.605 bonds (distance) P-C4' energy: -78.665 flat angles C4'-P-C4' energy: -53.369 flat angles P-C4'-P energy: -22.905 tors. eta vs tors. theta energy: -10.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1510.215711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.215711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.215711 (E_RNA) where: Base-Base interactions energy: -1046.423 where: short stacking energy: -441.488 Base-Backbone interact. energy: -1.660 local terms energy: -462.132941 where: bonds (distance) C4'-P energy: -85.885 bonds (distance) P-C4' energy: -97.273 flat angles C4'-P-C4' energy: -94.472 flat angles P-C4'-P energy: -66.703 tors. eta vs tors. theta energy: -117.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1451.457043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.457043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.457043 (E_RNA) where: Base-Base interactions energy: -992.292 where: short stacking energy: -427.201 Base-Backbone interact. energy: -1.616 local terms energy: -457.549138 where: bonds (distance) C4'-P energy: -79.120 bonds (distance) P-C4' energy: -90.457 flat angles C4'-P-C4' energy: -99.706 flat angles P-C4'-P energy: -61.083 tors. eta vs tors. theta energy: -127.183 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: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1354.990768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.990768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.990768 (E_RNA) where: Base-Base interactions energy: -940.335 where: short stacking energy: -374.462 Base-Backbone interact. energy: -2.152 local terms energy: -412.504353 where: bonds (distance) C4'-P energy: -83.921 bonds (distance) P-C4' energy: -78.443 flat angles C4'-P-C4' energy: -94.791 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -90.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1273.827496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.827496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.827496 (E_RNA) where: Base-Base interactions energy: -875.767 where: short stacking energy: -356.074 Base-Backbone interact. energy: -0.282 local terms energy: -397.778278 where: bonds (distance) C4'-P energy: -82.588 bonds (distance) P-C4' energy: -75.390 flat angles C4'-P-C4' energy: -85.042 flat angles P-C4'-P energy: -53.852 tors. eta vs tors. theta energy: -100.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1285.252533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.252533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.252533 (E_RNA) where: Base-Base interactions energy: -889.494 where: short stacking energy: -395.317 Base-Backbone interact. energy: -1.927 local terms energy: -393.831817 where: bonds (distance) C4'-P energy: -65.922 bonds (distance) P-C4' energy: -77.463 flat angles C4'-P-C4' energy: -91.278 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -97.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1233.091817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.091817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.091817 (E_RNA) where: Base-Base interactions energy: -854.040 where: short stacking energy: -387.690 Base-Backbone interact. energy: 0.979 local terms energy: -380.031230 where: bonds (distance) C4'-P energy: -67.741 bonds (distance) P-C4' energy: -68.490 flat angles C4'-P-C4' energy: -91.208 flat angles P-C4'-P energy: -44.178 tors. eta vs tors. theta energy: -108.414 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: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1165.124549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.124549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.124549 (E_RNA) where: Base-Base interactions energy: -776.288 where: short stacking energy: -341.418 Base-Backbone interact. energy: -1.437 local terms energy: -387.398977 where: bonds (distance) C4'-P energy: -76.320 bonds (distance) P-C4' energy: -83.781 flat angles C4'-P-C4' energy: -83.079 flat angles P-C4'-P energy: -54.900 tors. eta vs tors. theta energy: -89.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -907.098367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.098367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.098367 (E_RNA) where: Base-Base interactions energy: -592.511 where: short stacking energy: -275.840 Base-Backbone interact. energy: -1.933 local terms energy: -312.654553 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -70.315 flat angles C4'-P-C4' energy: -73.059 flat angles P-C4'-P energy: -45.060 tors. eta vs tors. theta energy: -53.810 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: 5 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -695.752577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.752577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.752577 (E_RNA) where: Base-Base interactions energy: -410.584 where: short stacking energy: -208.501 Base-Backbone interact. energy: 0.268 local terms energy: -285.436548 where: bonds (distance) C4'-P energy: -71.594 bonds (distance) P-C4' energy: -75.812 flat angles C4'-P-C4' energy: -73.293 flat angles P-C4'-P energy: -35.803 tors. eta vs tors. theta energy: -28.934 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: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -469.578502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.578502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.578502 (E_RNA) where: Base-Base interactions energy: -244.210 where: short stacking energy: -126.666 Base-Backbone interact. energy: -0.950 local terms energy: -224.418265 where: bonds (distance) C4'-P energy: -71.900 bonds (distance) P-C4' energy: -62.889 flat angles C4'-P-C4' energy: -73.546 flat angles P-C4'-P energy: -24.987 tors. eta vs tors. theta energy: 8.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1489.739211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.739211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.739211 (E_RNA) where: Base-Base interactions energy: -1033.752 where: short stacking energy: -433.324 Base-Backbone interact. energy: -0.203 local terms energy: -455.784558 where: bonds (distance) C4'-P energy: -79.367 bonds (distance) P-C4' energy: -88.364 flat angles C4'-P-C4' energy: -103.843 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -122.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1465.036169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.036169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.036169 (E_RNA) where: Base-Base interactions energy: -1020.969 where: short stacking energy: -420.875 Base-Backbone interact. energy: -2.766 local terms energy: -441.301345 where: bonds (distance) C4'-P energy: -77.947 bonds (distance) P-C4' energy: -84.597 flat angles C4'-P-C4' energy: -95.108 flat angles P-C4'-P energy: -67.932 tors. eta vs tors. theta energy: -115.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1375.545299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.545299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.545299 (E_RNA) where: Base-Base interactions energy: -964.816 where: short stacking energy: -381.983 Base-Backbone interact. energy: -2.832 local terms energy: -407.896794 where: bonds (distance) C4'-P energy: -71.473 bonds (distance) P-C4' energy: -84.815 flat angles C4'-P-C4' energy: -95.459 flat angles P-C4'-P energy: -61.649 tors. eta vs tors. theta energy: -94.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1270.646897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.646897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.646897 (E_RNA) where: Base-Base interactions energy: -877.719 where: short stacking energy: -378.547 Base-Backbone interact. energy: -1.406 local terms energy: -391.521399 where: bonds (distance) C4'-P energy: -71.366 bonds (distance) P-C4' energy: -89.592 flat angles C4'-P-C4' energy: -90.286 flat angles P-C4'-P energy: -46.102 tors. eta vs tors. theta energy: -94.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1274.537696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.537696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.537696 (E_RNA) where: Base-Base interactions energy: -901.034 where: short stacking energy: -378.368 Base-Backbone interact. energy: -1.828 local terms energy: -371.676322 where: bonds (distance) C4'-P energy: -80.537 bonds (distance) P-C4' energy: -76.263 flat angles C4'-P-C4' energy: -80.240 flat angles P-C4'-P energy: -40.480 tors. eta vs tors. theta energy: -94.156 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: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1230.458100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.458100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.458100 (E_RNA) where: Base-Base interactions energy: -828.120 where: short stacking energy: -376.103 Base-Backbone interact. energy: -2.557 local terms energy: -399.780288 where: bonds (distance) C4'-P energy: -62.137 bonds (distance) P-C4' energy: -72.964 flat angles C4'-P-C4' energy: -95.658 flat angles P-C4'-P energy: -55.550 tors. eta vs tors. theta energy: -113.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1148.372082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.372082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.372082 (E_RNA) where: Base-Base interactions energy: -791.968 where: short stacking energy: -350.735 Base-Backbone interact. energy: 0.487 local terms energy: -356.890593 where: bonds (distance) C4'-P energy: -66.309 bonds (distance) P-C4' energy: -68.705 flat angles C4'-P-C4' energy: -85.750 flat angles P-C4'-P energy: -49.998 tors. eta vs tors. theta energy: -86.128 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: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -902.824432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.824432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.824432 (E_RNA) where: Base-Base interactions energy: -574.400 where: short stacking energy: -247.635 Base-Backbone interact. energy: 0.430 local terms energy: -328.853796 where: bonds (distance) C4'-P energy: -73.286 bonds (distance) P-C4' energy: -75.362 flat angles C4'-P-C4' energy: -76.573 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: -62.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -671.424900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.424900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.424900 (E_RNA) where: Base-Base interactions energy: -389.215 where: short stacking energy: -189.775 Base-Backbone interact. energy: -2.127 local terms energy: -280.082929 where: bonds (distance) C4'-P energy: -67.359 bonds (distance) P-C4' energy: -81.454 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -28.960 tors. eta vs tors. theta energy: -22.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -420.754420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.754420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.754420 (E_RNA) where: Base-Base interactions energy: -179.569 where: short stacking energy: -118.920 Base-Backbone interact. energy: 2.025 local terms energy: -243.210670 where: bonds (distance) C4'-P energy: -73.374 bonds (distance) P-C4' energy: -71.316 flat angles C4'-P-C4' energy: -72.952 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: 12.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1487.402229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.402229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.402229 (E_RNA) where: Base-Base interactions energy: -1027.713 where: short stacking energy: -425.672 Base-Backbone interact. energy: -0.468 local terms energy: -459.221254 where: bonds (distance) C4'-P energy: -82.823 bonds (distance) P-C4' energy: -94.464 flat angles C4'-P-C4' energy: -99.914 flat angles P-C4'-P energy: -66.527 tors. eta vs tors. theta energy: -115.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1463.808681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.808681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.808681 (E_RNA) where: Base-Base interactions energy: -1028.953 where: short stacking energy: -435.084 Base-Backbone interact. energy: 0.623 local terms energy: -435.478473 where: bonds (distance) C4'-P energy: -75.551 bonds (distance) P-C4' energy: -96.269 flat angles C4'-P-C4' energy: -91.586 flat angles P-C4'-P energy: -54.430 tors. eta vs tors. theta energy: -117.643 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: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1385.205873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.205873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.205873 (E_RNA) where: Base-Base interactions energy: -962.663 where: short stacking energy: -398.018 Base-Backbone interact. energy: -4.382 local terms energy: -418.160873 where: bonds (distance) C4'-P energy: -89.535 bonds (distance) P-C4' energy: -81.897 flat angles C4'-P-C4' energy: -92.113 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: -104.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1300.595207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.595207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.595207 (E_RNA) where: Base-Base interactions energy: -915.305 where: short stacking energy: -378.970 Base-Backbone interact. energy: -1.113 local terms energy: -384.177217 where: bonds (distance) C4'-P energy: -73.169 bonds (distance) P-C4' energy: -83.204 flat angles C4'-P-C4' energy: -81.500 flat angles P-C4'-P energy: -58.680 tors. eta vs tors. theta energy: -87.625 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: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1207.035605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.035605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.035605 (E_RNA) where: Base-Base interactions energy: -843.876 where: short stacking energy: -348.616 Base-Backbone interact. energy: -0.315 local terms energy: -362.844837 where: bonds (distance) C4'-P energy: -70.509 bonds (distance) P-C4' energy: -69.742 flat angles C4'-P-C4' energy: -76.113 flat angles P-C4'-P energy: -52.609 tors. eta vs tors. theta energy: -93.872 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: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1186.251329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.251329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.251329 (E_RNA) where: Base-Base interactions energy: -823.632 where: short stacking energy: -336.585 Base-Backbone interact. energy: -2.253 local terms energy: -360.366094 where: bonds (distance) C4'-P energy: -73.474 bonds (distance) P-C4' energy: -71.604 flat angles C4'-P-C4' energy: -81.167 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: -79.670 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: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1219.080538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.080538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.080538 (E_RNA) where: Base-Base interactions energy: -831.907 where: short stacking energy: -367.625 Base-Backbone interact. energy: -4.190 local terms energy: -382.983997 where: bonds (distance) C4'-P energy: -60.835 bonds (distance) P-C4' energy: -77.913 flat angles C4'-P-C4' energy: -84.967 flat angles P-C4'-P energy: -56.459 tors. eta vs tors. theta energy: -102.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -860.453454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.453454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.453454 (E_RNA) where: Base-Base interactions energy: -553.353 where: short stacking energy: -252.621 Base-Backbone interact. energy: -2.328 local terms energy: -304.772455 where: bonds (distance) C4'-P energy: -76.893 bonds (distance) P-C4' energy: -68.934 flat angles C4'-P-C4' energy: -70.916 flat angles P-C4'-P energy: -47.492 tors. eta vs tors. theta energy: -40.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -698.358010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.358010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.358010 (E_RNA) where: Base-Base interactions energy: -407.233 where: short stacking energy: -205.098 Base-Backbone interact. energy: -0.333 local terms energy: -290.792034 where: bonds (distance) C4'-P energy: -69.810 bonds (distance) P-C4' energy: -78.784 flat angles C4'-P-C4' energy: -80.015 flat angles P-C4'-P energy: -36.296 tors. eta vs tors. theta energy: -25.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -458.190504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.190504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.190504 (E_RNA) where: Base-Base interactions energy: -202.174 where: short stacking energy: -126.238 Base-Backbone interact. energy: -1.463 local terms energy: -254.552754 where: bonds (distance) C4'-P energy: -60.241 bonds (distance) P-C4' energy: -73.270 flat angles C4'-P-C4' energy: -63.135 flat angles P-C4'-P energy: -51.770 tors. eta vs tors. theta energy: -6.136 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: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1470.281129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.281129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.281129 (E_RNA) where: Base-Base interactions energy: -1022.124 where: short stacking energy: -438.909 Base-Backbone interact. energy: -3.687 local terms energy: -444.470297 where: bonds (distance) C4'-P energy: -77.778 bonds (distance) P-C4' energy: -87.762 flat angles C4'-P-C4' energy: -92.746 flat angles P-C4'-P energy: -63.597 tors. eta vs tors. theta energy: -122.588 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: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1456.802107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.802107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.802107 (E_RNA) where: Base-Base interactions energy: -1012.594 where: short stacking energy: -405.963 Base-Backbone interact. energy: -1.637 local terms energy: -442.571787 where: bonds (distance) C4'-P energy: -77.823 bonds (distance) P-C4' energy: -82.033 flat angles C4'-P-C4' energy: -98.336 flat angles P-C4'-P energy: -66.448 tors. eta vs tors. theta energy: -117.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1389.113540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.113540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.113540 (E_RNA) where: Base-Base interactions energy: -988.436 where: short stacking energy: -386.273 Base-Backbone interact. energy: -3.290 local terms energy: -397.387010 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -72.193 flat angles C4'-P-C4' energy: -93.497 flat angles P-C4'-P energy: -62.087 tors. eta vs tors. theta energy: -101.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1324.353186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.353186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.353186 (E_RNA) where: Base-Base interactions energy: -904.256 where: short stacking energy: -385.002 Base-Backbone interact. energy: -1.992 local terms energy: -418.105148 where: bonds (distance) C4'-P energy: -89.434 bonds (distance) P-C4' energy: -78.308 flat angles C4'-P-C4' energy: -87.519 flat angles P-C4'-P energy: -64.798 tors. eta vs tors. theta energy: -98.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1224.095113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.095113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.095113 (E_RNA) where: Base-Base interactions energy: -845.302 where: short stacking energy: -344.267 Base-Backbone interact. energy: 4.777 local terms energy: -383.570267 where: bonds (distance) C4'-P energy: -81.169 bonds (distance) P-C4' energy: -74.744 flat angles C4'-P-C4' energy: -83.376 flat angles P-C4'-P energy: -61.698 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: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1129.107675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.107675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.107675 (E_RNA) where: Base-Base interactions energy: -753.226 where: short stacking energy: -325.395 Base-Backbone interact. energy: -2.340 local terms energy: -373.541788 where: bonds (distance) C4'-P energy: -79.746 bonds (distance) P-C4' energy: -79.156 flat angles C4'-P-C4' energy: -82.814 flat angles P-C4'-P energy: -50.213 tors. eta vs tors. theta energy: -81.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1165.556228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.556228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.556228 (E_RNA) where: Base-Base interactions energy: -797.072 where: short stacking energy: -329.057 Base-Backbone interact. energy: -2.925 local terms energy: -365.559149 where: bonds (distance) C4'-P energy: -75.708 bonds (distance) P-C4' energy: -73.813 flat angles C4'-P-C4' energy: -78.834 flat angles P-C4'-P energy: -44.253 tors. eta vs tors. theta energy: -92.950 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: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -879.492610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.492610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.492610 (E_RNA) where: Base-Base interactions energy: -568.688 where: short stacking energy: -244.357 Base-Backbone interact. energy: -0.505 local terms energy: -310.300442 where: bonds (distance) C4'-P energy: -62.571 bonds (distance) P-C4' energy: -85.163 flat angles C4'-P-C4' energy: -76.006 flat angles P-C4'-P energy: -39.281 tors. eta vs tors. theta energy: -47.280 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: 9, replica: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -645.396379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.396379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.396379 (E_RNA) where: Base-Base interactions energy: -384.042 where: short stacking energy: -203.016 Base-Backbone interact. energy: 2.960 local terms energy: -264.314458 where: bonds (distance) C4'-P energy: -59.633 bonds (distance) P-C4' energy: -76.872 flat angles C4'-P-C4' energy: -67.848 flat angles P-C4'-P energy: -29.401 tors. eta vs tors. theta energy: -30.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -451.352539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.352539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.352539 (E_RNA) where: Base-Base interactions energy: -231.557 where: short stacking energy: -132.102 Base-Backbone interact. energy: 1.734 local terms energy: -221.529163 where: bonds (distance) C4'-P energy: -50.823 bonds (distance) P-C4' energy: -67.666 flat angles C4'-P-C4' energy: -63.433 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: 6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1492.920675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.920675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.920675 (E_RNA) where: Base-Base interactions energy: -1044.236 where: short stacking energy: -434.670 Base-Backbone interact. energy: -3.479 local terms energy: -445.205659 where: bonds (distance) C4'-P energy: -88.630 bonds (distance) P-C4' energy: -75.142 flat angles C4'-P-C4' energy: -102.532 flat angles P-C4'-P energy: -59.675 tors. eta vs tors. theta energy: -119.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1484.015796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.015796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.015796 (E_RNA) where: Base-Base interactions energy: -1066.038 where: short stacking energy: -431.382 Base-Backbone interact. energy: -1.092 local terms energy: -416.885818 where: bonds (distance) C4'-P energy: -69.963 bonds (distance) P-C4' energy: -82.198 flat angles C4'-P-C4' energy: -89.113 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -114.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1410.342778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.342778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.342778 (E_RNA) where: Base-Base interactions energy: -1002.152 where: short stacking energy: -391.942 Base-Backbone interact. energy: -3.182 local terms energy: -405.008404 where: bonds (distance) C4'-P energy: -72.939 bonds (distance) P-C4' energy: -75.388 flat angles C4'-P-C4' energy: -93.392 flat angles P-C4'-P energy: -67.200 tors. eta vs tors. theta energy: -96.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1327.354918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.354918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.354918 (E_RNA) where: Base-Base interactions energy: -931.908 where: short stacking energy: -379.352 Base-Backbone interact. energy: -1.406 local terms energy: -394.041189 where: bonds (distance) C4'-P energy: -68.110 bonds (distance) P-C4' energy: -76.713 flat angles C4'-P-C4' energy: -84.874 flat angles P-C4'-P energy: -64.686 tors. eta vs tors. theta energy: -99.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1218.080781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.080781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.080781 (E_RNA) where: Base-Base interactions energy: -844.477 where: short stacking energy: -354.411 Base-Backbone interact. energy: -2.022 local terms energy: -371.582204 where: bonds (distance) C4'-P energy: -61.783 bonds (distance) P-C4' energy: -77.548 flat angles C4'-P-C4' energy: -95.600 flat angles P-C4'-P energy: -48.145 tors. eta vs tors. theta energy: -88.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1139.919111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.919111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.919111 (E_RNA) where: Base-Base interactions energy: -768.281 where: short stacking energy: -325.545 Base-Backbone interact. energy: -0.746 local terms energy: -370.892353 where: bonds (distance) C4'-P energy: -71.828 bonds (distance) P-C4' energy: -73.110 flat angles C4'-P-C4' energy: -78.376 flat angles P-C4'-P energy: -59.674 tors. eta vs tors. theta energy: -87.904 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: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1135.298183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.298183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.298183 (E_RNA) where: Base-Base interactions energy: -751.678 where: short stacking energy: -329.069 Base-Backbone interact. energy: -3.609 local terms energy: -380.010769 where: bonds (distance) C4'-P energy: -72.911 bonds (distance) P-C4' energy: -75.759 flat angles C4'-P-C4' energy: -86.684 flat angles P-C4'-P energy: -58.027 tors. eta vs tors. theta energy: -86.630 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: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -872.428450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.428450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.428450 (E_RNA) where: Base-Base interactions energy: -561.194 where: short stacking energy: -238.845 Base-Backbone interact. energy: -1.871 local terms energy: -309.364038 where: bonds (distance) C4'-P energy: -71.275 bonds (distance) P-C4' energy: -79.376 flat angles C4'-P-C4' energy: -63.935 flat angles P-C4'-P energy: -52.107 tors. eta vs tors. theta energy: -42.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -627.897503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.897503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.897503 (E_RNA) where: Base-Base interactions energy: -349.519 where: short stacking energy: -195.095 Base-Backbone interact. energy: -0.973 local terms energy: -277.405898 where: bonds (distance) C4'-P energy: -63.960 bonds (distance) P-C4' energy: -76.436 flat angles C4'-P-C4' energy: -62.630 flat angles P-C4'-P energy: -35.934 tors. eta vs tors. theta energy: -38.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -409.434922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.434922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.434922 (E_RNA) where: Base-Base interactions energy: -194.542 where: short stacking energy: -113.071 Base-Backbone interact. energy: -1.178 local terms energy: -213.714677 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -54.917 flat angles C4'-P-C4' energy: -44.235 flat angles P-C4'-P energy: -43.105 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1497.380432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.380432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.380432 (E_RNA) where: Base-Base interactions energy: -1031.899 where: short stacking energy: -426.542 Base-Backbone interact. energy: -2.687 local terms energy: -462.794761 where: bonds (distance) C4'-P energy: -80.064 bonds (distance) P-C4' energy: -87.483 flat angles C4'-P-C4' energy: -101.013 flat angles P-C4'-P energy: -69.346 tors. eta vs tors. theta energy: -124.888 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: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1447.483251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.483251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.483251 (E_RNA) where: Base-Base interactions energy: -1002.335 where: short stacking energy: -428.379 Base-Backbone interact. energy: -0.143 local terms energy: -445.005310 where: bonds (distance) C4'-P energy: -75.476 bonds (distance) P-C4' energy: -94.657 flat angles C4'-P-C4' energy: -91.037 flat angles P-C4'-P energy: -66.774 tors. eta vs tors. theta energy: -117.061 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: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1392.291217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.291217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.291217 (E_RNA) where: Base-Base interactions energy: -1004.661 where: short stacking energy: -398.285 Base-Backbone interact. energy: -0.755 local terms energy: -386.875650 where: bonds (distance) C4'-P energy: -69.553 bonds (distance) P-C4' energy: -76.726 flat angles C4'-P-C4' energy: -92.944 flat angles P-C4'-P energy: -52.271 tors. eta vs tors. theta energy: -95.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1316.064112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.064112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.064112 (E_RNA) where: Base-Base interactions energy: -915.091 where: short stacking energy: -389.077 Base-Backbone interact. energy: -1.418 local terms energy: -399.555756 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -89.993 flat angles C4'-P-C4' energy: -87.206 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -92.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1212.322498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.322498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.322498 (E_RNA) where: Base-Base interactions energy: -841.192 where: short stacking energy: -350.098 Base-Backbone interact. energy: -3.239 local terms energy: -367.890989 where: bonds (distance) C4'-P energy: -75.173 bonds (distance) P-C4' energy: -81.342 flat angles C4'-P-C4' energy: -80.019 flat angles P-C4'-P energy: -44.742 tors. eta vs tors. theta energy: -86.614 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: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1189.044633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.044633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.044633 (E_RNA) where: Base-Base interactions energy: -830.317 where: short stacking energy: -341.252 Base-Backbone interact. energy: -1.223 local terms energy: -357.504243 where: bonds (distance) C4'-P energy: -61.258 bonds (distance) P-C4' energy: -78.643 flat angles C4'-P-C4' energy: -89.600 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: -82.983 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: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1149.083520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.083520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.083520 (E_RNA) where: Base-Base interactions energy: -783.259 where: short stacking energy: -360.077 Base-Backbone interact. energy: 0.629 local terms energy: -366.453411 where: bonds (distance) C4'-P energy: -72.909 bonds (distance) P-C4' energy: -70.254 flat angles C4'-P-C4' energy: -75.399 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -105.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -882.514209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.514209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.514209 (E_RNA) where: Base-Base interactions energy: -551.568 where: short stacking energy: -237.796 Base-Backbone interact. energy: -2.139 local terms energy: -328.807810 where: bonds (distance) C4'-P energy: -80.436 bonds (distance) P-C4' energy: -85.671 flat angles C4'-P-C4' energy: -70.373 flat angles P-C4'-P energy: -42.638 tors. eta vs tors. theta energy: -49.690 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: 9, replica: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -644.767259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.767259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.767259 (E_RNA) where: Base-Base interactions energy: -367.805 where: short stacking energy: -198.689 Base-Backbone interact. energy: -1.696 local terms energy: -275.266379 where: bonds (distance) C4'-P energy: -73.119 bonds (distance) P-C4' energy: -66.871 flat angles C4'-P-C4' energy: -70.899 flat angles P-C4'-P energy: -39.345 tors. eta vs tors. theta energy: -25.033 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: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -439.566849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.566849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.566849 (E_RNA) where: Base-Base interactions energy: -205.794 where: short stacking energy: -129.414 Base-Backbone interact. energy: -2.350 local terms energy: -231.422928 where: bonds (distance) C4'-P energy: -69.491 bonds (distance) P-C4' energy: -73.870 flat angles C4'-P-C4' energy: -61.515 flat angles P-C4'-P energy: -28.018 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: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1519.879302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.879302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.879302 (E_RNA) where: Base-Base interactions energy: -1056.987 where: short stacking energy: -437.760 Base-Backbone interact. energy: -1.341 local terms energy: -461.551349 where: bonds (distance) C4'-P energy: -83.720 bonds (distance) P-C4' energy: -95.928 flat angles C4'-P-C4' energy: -92.235 flat angles P-C4'-P energy: -65.600 tors. eta vs tors. theta energy: -124.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1448.950924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.950924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.950924 (E_RNA) where: Base-Base interactions energy: -1016.715 where: short stacking energy: -431.967 Base-Backbone interact. energy: -1.314 local terms energy: -430.921426 where: bonds (distance) C4'-P energy: -86.432 bonds (distance) P-C4' energy: -78.636 flat angles C4'-P-C4' energy: -81.019 flat angles P-C4'-P energy: -62.948 tors. eta vs tors. theta energy: -121.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1400.202295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.202295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.202295 (E_RNA) where: Base-Base interactions energy: -999.737 where: short stacking energy: -407.593 Base-Backbone interact. energy: 0.643 local terms energy: -401.107762 where: bonds (distance) C4'-P energy: -71.729 bonds (distance) P-C4' energy: -78.659 flat angles C4'-P-C4' energy: -90.098 flat angles P-C4'-P energy: -55.316 tors. eta vs tors. theta energy: -105.305 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: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1324.750323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.750323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.750323 (E_RNA) where: Base-Base interactions energy: -946.674 where: short stacking energy: -393.216 Base-Backbone interact. energy: -0.161 local terms energy: -377.914863 where: bonds (distance) C4'-P energy: -77.325 bonds (distance) P-C4' energy: -67.985 flat angles C4'-P-C4' energy: -83.167 flat angles P-C4'-P energy: -56.846 tors. eta vs tors. theta energy: -92.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1199.045786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.045786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.045786 (E_RNA) where: Base-Base interactions energy: -833.040 where: short stacking energy: -345.812 Base-Backbone interact. energy: 0.183 local terms energy: -366.188113 where: bonds (distance) C4'-P energy: -74.678 bonds (distance) P-C4' energy: -81.212 flat angles C4'-P-C4' energy: -85.002 flat angles P-C4'-P energy: -47.118 tors. eta vs tors. theta energy: -78.179 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: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1240.115901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.115901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.115901 (E_RNA) where: Base-Base interactions energy: -823.424 where: short stacking energy: -390.058 Base-Backbone interact. energy: -0.546 local terms energy: -416.146285 where: bonds (distance) C4'-P energy: -78.043 bonds (distance) P-C4' energy: -87.858 flat angles C4'-P-C4' energy: -91.032 flat angles P-C4'-P energy: -44.790 tors. eta vs tors. theta energy: -114.423 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: 131 Temperature: 1.200000 Total energy: -1157.233969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.233969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.233969 (E_RNA) where: Base-Base interactions energy: -815.209 where: short stacking energy: -339.463 Base-Backbone interact. energy: -1.047 local terms energy: -340.978051 where: bonds (distance) C4'-P energy: -54.841 bonds (distance) P-C4' energy: -74.011 flat angles C4'-P-C4' energy: -75.576 flat angles P-C4'-P energy: -49.678 tors. eta vs tors. theta energy: -86.873 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: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -769.256006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.256006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.256006 (E_RNA) where: Base-Base interactions energy: -469.771 where: short stacking energy: -188.949 Base-Backbone interact. energy: 2.183 local terms energy: -301.667532 where: bonds (distance) C4'-P energy: -78.949 bonds (distance) P-C4' energy: -81.545 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -46.046 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: 9, replica: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -602.138188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.138188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.138188 (E_RNA) where: Base-Base interactions energy: -340.869 where: short stacking energy: -195.827 Base-Backbone interact. energy: -2.371 local terms energy: -258.898078 where: bonds (distance) C4'-P energy: -58.424 bonds (distance) P-C4' energy: -73.947 flat angles C4'-P-C4' energy: -60.684 flat angles P-C4'-P energy: -36.442 tors. eta vs tors. theta energy: -29.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -470.417996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.417996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.417996 (E_RNA) where: Base-Base interactions energy: -246.688 where: short stacking energy: -142.654 Base-Backbone interact. energy: -2.018 local terms energy: -221.711414 where: bonds (distance) C4'-P energy: -61.056 bonds (distance) P-C4' energy: -67.751 flat angles C4'-P-C4' energy: -51.330 flat angles P-C4'-P energy: -33.606 tors. eta vs tors. theta energy: -7.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1503.169753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.169753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.169753 (E_RNA) where: Base-Base interactions energy: -1061.365 where: short stacking energy: -419.330 Base-Backbone interact. energy: -1.115 local terms energy: -440.690624 where: bonds (distance) C4'-P energy: -82.201 bonds (distance) P-C4' energy: -81.704 flat angles C4'-P-C4' energy: -89.825 flat angles P-C4'-P energy: -71.919 tors. eta vs tors. theta energy: -115.042 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: 132 Temperature: 0.950000 Total energy: -1452.536199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.536199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.536199 (E_RNA) where: Base-Base interactions energy: -1013.691 where: short stacking energy: -427.887 Base-Backbone interact. energy: -1.303 local terms energy: -437.541923 where: bonds (distance) C4'-P energy: -75.146 bonds (distance) P-C4' energy: -84.393 flat angles C4'-P-C4' energy: -89.509 flat angles P-C4'-P energy: -64.923 tors. eta vs tors. theta energy: -123.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1373.130601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.130601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.130601 (E_RNA) where: Base-Base interactions energy: -975.128 where: short stacking energy: -358.730 Base-Backbone interact. energy: -2.650 local terms energy: -395.353299 where: bonds (distance) C4'-P energy: -72.874 bonds (distance) P-C4' energy: -76.022 flat angles C4'-P-C4' energy: -93.109 flat angles P-C4'-P energy: -63.038 tors. eta vs tors. theta energy: -90.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1322.969392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.969392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.969392 (E_RNA) where: Base-Base interactions energy: -923.159 where: short stacking energy: -394.322 Base-Backbone interact. energy: 1.932 local terms energy: -401.742167 where: bonds (distance) C4'-P energy: -68.419 bonds (distance) P-C4' energy: -85.011 flat angles C4'-P-C4' energy: -82.959 flat angles P-C4'-P energy: -65.501 tors. eta vs tors. theta energy: -99.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1227.530047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.530047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.530047 (E_RNA) where: Base-Base interactions energy: -852.658 where: short stacking energy: -361.790 Base-Backbone interact. energy: -1.656 local terms energy: -373.215282 where: bonds (distance) C4'-P energy: -71.582 bonds (distance) P-C4' energy: -69.507 flat angles C4'-P-C4' energy: -82.432 flat angles P-C4'-P energy: -59.112 tors. eta vs tors. theta energy: -90.581 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: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1177.244400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.244400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.244400 (E_RNA) where: Base-Base interactions energy: -792.924 where: short stacking energy: -372.376 Base-Backbone interact. energy: -0.604 local terms energy: -383.717015 where: bonds (distance) C4'-P energy: -67.431 bonds (distance) P-C4' energy: -75.902 flat angles C4'-P-C4' energy: -85.605 flat angles P-C4'-P energy: -51.753 tors. eta vs tors. theta energy: -103.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1148.083693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.083693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.083693 (E_RNA) where: Base-Base interactions energy: -775.369 where: short stacking energy: -295.103 Base-Backbone interact. energy: -2.168 local terms energy: -370.546732 where: bonds (distance) C4'-P energy: -75.554 bonds (distance) P-C4' energy: -90.510 flat angles C4'-P-C4' energy: -84.263 flat angles P-C4'-P energy: -49.776 tors. eta vs tors. theta energy: -70.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -761.821489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.821489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.821489 (E_RNA) where: Base-Base interactions energy: -494.080 where: short stacking energy: -228.558 Base-Backbone interact. energy: 2.864 local terms energy: -270.605253 where: bonds (distance) C4'-P energy: -59.490 bonds (distance) P-C4' energy: -71.829 flat angles C4'-P-C4' energy: -59.071 flat angles P-C4'-P energy: -45.688 tors. eta vs tors. theta energy: -34.527 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: 5 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -676.376462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.376462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.376462 (E_RNA) where: Base-Base interactions energy: -382.381 where: short stacking energy: -197.077 Base-Backbone interact. energy: -2.055 local terms energy: -291.940207 where: bonds (distance) C4'-P energy: -67.507 bonds (distance) P-C4' energy: -70.720 flat angles C4'-P-C4' energy: -60.683 flat angles P-C4'-P energy: -46.945 tors. eta vs tors. theta energy: -46.085 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: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -480.265894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.265894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.265894 (E_RNA) where: Base-Base interactions energy: -238.218 where: short stacking energy: -143.433 Base-Backbone interact. energy: 0.541 local terms energy: -242.588279 where: bonds (distance) C4'-P energy: -59.555 bonds (distance) P-C4' energy: -74.172 flat angles C4'-P-C4' energy: -61.107 flat angles P-C4'-P energy: -40.741 tors. eta vs tors. theta energy: -7.014 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: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1506.228814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.228814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.228814 (E_RNA) where: Base-Base interactions energy: -1055.838 where: short stacking energy: -438.897 Base-Backbone interact. energy: 2.545 local terms energy: -452.935460 where: bonds (distance) C4'-P energy: -94.383 bonds (distance) P-C4' energy: -85.020 flat angles C4'-P-C4' energy: -98.150 flat angles P-C4'-P energy: -61.067 tors. eta vs tors. theta energy: -114.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1422.691606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.691606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.691606 (E_RNA) where: Base-Base interactions energy: -1001.590 where: short stacking energy: -405.040 Base-Backbone interact. energy: -0.661 local terms energy: -420.440480 where: bonds (distance) C4'-P energy: -82.405 bonds (distance) P-C4' energy: -88.893 flat angles C4'-P-C4' energy: -91.977 flat angles P-C4'-P energy: -45.107 tors. eta vs tors. theta energy: -112.059 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: 3, replica: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1398.018493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.018493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.018493 (E_RNA) where: Base-Base interactions energy: -988.645 where: short stacking energy: -396.433 Base-Backbone interact. energy: 1.403 local terms energy: -410.776431 where: bonds (distance) C4'-P energy: -83.060 bonds (distance) P-C4' energy: -80.096 flat angles C4'-P-C4' energy: -90.650 flat angles P-C4'-P energy: -56.237 tors. eta vs tors. theta energy: -100.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1365.436104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.436104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.436104 (E_RNA) where: Base-Base interactions energy: -939.543 where: short stacking energy: -399.655 Base-Backbone interact. energy: 0.756 local terms energy: -426.648528 where: bonds (distance) C4'-P energy: -74.348 bonds (distance) P-C4' energy: -77.324 flat angles C4'-P-C4' energy: -95.544 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -110.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1237.128911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.128911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.128911 (E_RNA) where: Base-Base interactions energy: -841.268 where: short stacking energy: -340.663 Base-Backbone interact. energy: -0.918 local terms energy: -395.007668 where: bonds (distance) C4'-P energy: -81.851 bonds (distance) P-C4' energy: -79.408 flat angles C4'-P-C4' energy: -88.241 flat angles P-C4'-P energy: -55.371 tors. eta vs tors. theta energy: -90.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.064 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1209.380260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.380260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.380260 (E_RNA) where: Base-Base interactions energy: -837.961 where: short stacking energy: -336.134 Base-Backbone interact. energy: -1.266 local terms energy: -370.152507 where: bonds (distance) C4'-P energy: -71.161 bonds (distance) P-C4' energy: -77.405 flat angles C4'-P-C4' energy: -90.243 flat angles P-C4'-P energy: -51.002 tors. eta vs tors. theta energy: -80.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1109.031061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.031061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.031061 (E_RNA) where: Base-Base interactions energy: -753.119 where: short stacking energy: -317.116 Base-Backbone interact. energy: 1.520 local terms energy: -357.432162 where: bonds (distance) C4'-P energy: -73.746 bonds (distance) P-C4' energy: -66.248 flat angles C4'-P-C4' energy: -86.868 flat angles P-C4'-P energy: -46.514 tors. eta vs tors. theta energy: -84.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -858.986742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.986742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.986742 (E_RNA) where: Base-Base interactions energy: -544.789 where: short stacking energy: -245.678 Base-Backbone interact. energy: -0.736 local terms energy: -313.461712 where: bonds (distance) C4'-P energy: -70.092 bonds (distance) P-C4' energy: -79.064 flat angles C4'-P-C4' energy: -71.417 flat angles P-C4'-P energy: -36.233 tors. eta vs tors. theta energy: -56.656 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: 9, replica: 5 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -655.647623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.647623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.647623 (E_RNA) where: Base-Base interactions energy: -375.489 where: short stacking energy: -189.630 Base-Backbone interact. energy: -1.917 local terms energy: -278.241680 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -71.528 flat angles C4'-P-C4' energy: -65.429 flat angles P-C4'-P energy: -40.992 tors. eta vs tors. theta energy: -31.835 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: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -457.723847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.723847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.723847 (E_RNA) where: Base-Base interactions energy: -250.019 where: short stacking energy: -133.011 Base-Backbone interact. energy: 2.993 local terms energy: -210.698399 where: bonds (distance) C4'-P energy: -73.421 bonds (distance) P-C4' energy: -70.079 flat angles C4'-P-C4' energy: -39.635 flat angles P-C4'-P energy: -42.003 tors. eta vs tors. theta energy: 14.439 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: 1, replica: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1514.087982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.087982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.087982 (E_RNA) where: Base-Base interactions energy: -1050.180 where: short stacking energy: -432.565 Base-Backbone interact. energy: -1.809 local terms energy: -462.099487 where: bonds (distance) C4'-P energy: -81.111 bonds (distance) P-C4' energy: -89.942 flat angles C4'-P-C4' energy: -102.216 flat angles P-C4'-P energy: -62.441 tors. eta vs tors. theta energy: -126.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1475.224908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.224908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.224908 (E_RNA) where: Base-Base interactions energy: -1032.055 where: short stacking energy: -432.378 Base-Backbone interact. energy: -0.315 local terms energy: -442.855040 where: bonds (distance) C4'-P energy: -75.595 bonds (distance) P-C4' energy: -84.027 flat angles C4'-P-C4' energy: -95.615 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -117.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1399.543855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.543855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.543855 (E_RNA) where: Base-Base interactions energy: -997.315 where: short stacking energy: -402.587 Base-Backbone interact. energy: -2.476 local terms energy: -399.752617 where: bonds (distance) C4'-P energy: -68.551 bonds (distance) P-C4' energy: -78.334 flat angles C4'-P-C4' energy: -91.839 flat angles P-C4'-P energy: -60.944 tors. eta vs tors. theta energy: -100.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1348.778807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.778807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.778807 (E_RNA) where: Base-Base interactions energy: -971.659 where: short stacking energy: -412.822 Base-Backbone interact. energy: -3.579 local terms energy: -373.540677 where: bonds (distance) C4'-P energy: -69.938 bonds (distance) P-C4' energy: -61.302 flat angles C4'-P-C4' energy: -78.755 flat angles P-C4'-P energy: -55.397 tors. eta vs tors. theta energy: -108.149 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: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1258.813918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.813918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.813918 (E_RNA) where: Base-Base interactions energy: -870.825 where: short stacking energy: -366.749 Base-Backbone interact. energy: -3.016 local terms energy: -384.973474 where: bonds (distance) C4'-P energy: -73.197 bonds (distance) P-C4' energy: -86.454 flat angles C4'-P-C4' energy: -85.961 flat angles P-C4'-P energy: -53.223 tors. eta vs tors. theta energy: -86.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1252.062540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.062540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.062540 (E_RNA) where: Base-Base interactions energy: -859.008 where: short stacking energy: -367.363 Base-Backbone interact. energy: -1.170 local terms energy: -391.883897 where: bonds (distance) C4'-P energy: -83.511 bonds (distance) P-C4' energy: -81.868 flat angles C4'-P-C4' energy: -74.842 flat angles P-C4'-P energy: -53.805 tors. eta vs tors. theta energy: -97.857 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: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1148.965684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.965684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.965684 (E_RNA) where: Base-Base interactions energy: -773.506 where: short stacking energy: -341.645 Base-Backbone interact. energy: 1.148 local terms energy: -376.607381 where: bonds (distance) C4'-P energy: -60.009 bonds (distance) P-C4' energy: -70.236 flat angles C4'-P-C4' energy: -87.979 flat angles P-C4'-P energy: -63.374 tors. eta vs tors. theta energy: -95.010 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: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -822.212774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.212774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.212774 (E_RNA) where: Base-Base interactions energy: -530.029 where: short stacking energy: -254.457 Base-Backbone interact. energy: -1.343 local terms energy: -290.841096 where: bonds (distance) C4'-P energy: -58.454 bonds (distance) P-C4' energy: -76.074 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: -43.779 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: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -687.483703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.483703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.483703 (E_RNA) where: Base-Base interactions energy: -414.445 where: short stacking energy: -187.172 Base-Backbone interact. energy: -1.290 local terms energy: -271.748440 where: bonds (distance) C4'-P energy: -75.555 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -59.518 flat angles P-C4'-P energy: -47.465 tors. eta vs tors. theta energy: -25.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -502.146355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.146355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.146355 (E_RNA) where: Base-Base interactions energy: -276.239 where: short stacking energy: -145.863 Base-Backbone interact. energy: 0.403 local terms energy: -226.309827 where: bonds (distance) C4'-P energy: -58.191 bonds (distance) P-C4' energy: -69.626 flat angles C4'-P-C4' energy: -57.762 flat angles P-C4'-P energy: -33.850 tors. eta vs tors. theta energy: -6.881 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: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1509.328183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.328183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.328183 (E_RNA) where: Base-Base interactions energy: -1052.631 where: short stacking energy: -429.548 Base-Backbone interact. energy: -2.091 local terms energy: -454.606899 where: bonds (distance) C4'-P energy: -89.802 bonds (distance) P-C4' energy: -88.817 flat angles C4'-P-C4' energy: -99.014 flat angles P-C4'-P energy: -54.346 tors. eta vs tors. theta energy: -122.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1463.363110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.363110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.363110 (E_RNA) where: Base-Base interactions energy: -1038.680 where: short stacking energy: -431.512 Base-Backbone interact. energy: 0.252 local terms energy: -424.935103 where: bonds (distance) C4'-P energy: -76.620 bonds (distance) P-C4' energy: -78.047 flat angles C4'-P-C4' energy: -95.707 flat angles P-C4'-P energy: -60.051 tors. eta vs tors. theta energy: -114.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1408.196198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.196198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.196198 (E_RNA) where: Base-Base interactions energy: -974.817 where: short stacking energy: -371.932 Base-Backbone interact. energy: -4.549 local terms energy: -428.830368 where: bonds (distance) C4'-P energy: -74.834 bonds (distance) P-C4' energy: -97.501 flat angles C4'-P-C4' energy: -89.049 flat angles P-C4'-P energy: -69.766 tors. eta vs tors. theta energy: -97.679 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: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1379.536485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.536485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.536485 (E_RNA) where: Base-Base interactions energy: -984.179 where: short stacking energy: -411.871 Base-Backbone interact. energy: -1.934 local terms energy: -393.423864 where: bonds (distance) C4'-P energy: -68.178 bonds (distance) P-C4' energy: -77.815 flat angles C4'-P-C4' energy: -85.392 flat angles P-C4'-P energy: -56.763 tors. eta vs tors. theta energy: -105.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1235.195835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.195835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.195835 (E_RNA) where: Base-Base interactions energy: -860.888 where: short stacking energy: -338.388 Base-Backbone interact. energy: -2.363 local terms energy: -371.944875 where: bonds (distance) C4'-P energy: -84.114 bonds (distance) P-C4' energy: -82.641 flat angles C4'-P-C4' energy: -69.750 flat angles P-C4'-P energy: -57.358 tors. eta vs tors. theta energy: -78.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1200.210189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.210189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.210189 (E_RNA) where: Base-Base interactions energy: -829.485 where: short stacking energy: -345.147 Base-Backbone interact. energy: -1.344 local terms energy: -369.381049 where: bonds (distance) C4'-P energy: -71.007 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -79.107 flat angles P-C4'-P energy: -52.224 tors. eta vs tors. theta energy: -88.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1178.924985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.924985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.924985 (E_RNA) where: Base-Base interactions energy: -806.328 where: short stacking energy: -349.771 Base-Backbone interact. energy: 1.432 local terms energy: -374.028238 where: bonds (distance) C4'-P energy: -70.566 bonds (distance) P-C4' energy: -75.359 flat angles C4'-P-C4' energy: -83.643 flat angles P-C4'-P energy: -54.438 tors. eta vs tors. theta energy: -90.022 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: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -826.057252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.057252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.057252 (E_RNA) where: Base-Base interactions energy: -514.888 where: short stacking energy: -241.379 Base-Backbone interact. energy: 2.911 local terms energy: -314.080718 where: bonds (distance) C4'-P energy: -66.990 bonds (distance) P-C4' energy: -75.103 flat angles C4'-P-C4' energy: -78.966 flat angles P-C4'-P energy: -40.329 tors. eta vs tors. theta energy: -52.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -646.117482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.117482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.117482 (E_RNA) where: Base-Base interactions energy: -394.946 where: short stacking energy: -198.832 Base-Backbone interact. energy: -1.456 local terms energy: -249.715742 where: bonds (distance) C4'-P energy: -60.994 bonds (distance) P-C4' energy: -86.433 flat angles C4'-P-C4' energy: -55.342 flat angles P-C4'-P energy: -29.370 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: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -528.312844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.312844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.312844 (E_RNA) where: Base-Base interactions energy: -289.492 where: short stacking energy: -143.570 Base-Backbone interact. energy: 0.605 local terms energy: -239.426248 where: bonds (distance) C4'-P energy: -62.201 bonds (distance) P-C4' energy: -71.026 flat angles C4'-P-C4' energy: -70.764 flat angles P-C4'-P energy: -41.445 tors. eta vs tors. theta energy: 6.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1501.271370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.271370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.271370 (E_RNA) where: Base-Base interactions energy: -1072.331 where: short stacking energy: -410.334 Base-Backbone interact. energy: -2.540 local terms energy: -426.400978 where: bonds (distance) C4'-P energy: -88.708 bonds (distance) P-C4' energy: -73.895 flat angles C4'-P-C4' energy: -98.799 flat angles P-C4'-P energy: -63.078 tors. eta vs tors. theta energy: -101.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1457.620600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.620600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.620600 (E_RNA) where: Base-Base interactions energy: -1024.464 where: short stacking energy: -426.774 Base-Backbone interact. energy: -0.663 local terms energy: -432.494081 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -79.516 flat angles C4'-P-C4' energy: -101.535 flat angles P-C4'-P energy: -49.113 tors. eta vs tors. theta energy: -123.811 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: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1408.530619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.530619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.530619 (E_RNA) where: Base-Base interactions energy: -988.624 where: short stacking energy: -417.055 Base-Backbone interact. energy: -3.159 local terms energy: -416.747444 where: bonds (distance) C4'-P energy: -66.847 bonds (distance) P-C4' energy: -88.945 flat angles C4'-P-C4' energy: -93.885 flat angles P-C4'-P energy: -55.712 tors. eta vs tors. theta energy: -111.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1357.595243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.595243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.595243 (E_RNA) where: Base-Base interactions energy: -948.191 where: short stacking energy: -368.376 Base-Backbone interact. energy: -0.425 local terms energy: -408.979272 where: bonds (distance) C4'-P energy: -67.515 bonds (distance) P-C4' energy: -94.623 flat angles C4'-P-C4' energy: -88.239 flat angles P-C4'-P energy: -62.287 tors. eta vs tors. theta energy: -96.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1207.367215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.367215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.367215 (E_RNA) where: Base-Base interactions energy: -832.706 where: short stacking energy: -347.600 Base-Backbone interact. energy: -2.428 local terms energy: -372.233351 where: bonds (distance) C4'-P energy: -64.477 bonds (distance) P-C4' energy: -74.204 flat angles C4'-P-C4' energy: -93.126 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: -89.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1252.850139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.850139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.850139 (E_RNA) where: Base-Base interactions energy: -871.797 where: short stacking energy: -388.480 Base-Backbone interact. energy: -0.609 local terms energy: -380.444158 where: bonds (distance) C4'-P energy: -65.629 bonds (distance) P-C4' energy: -77.537 flat angles C4'-P-C4' energy: -85.773 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -102.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1181.800938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.800938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.800938 (E_RNA) where: Base-Base interactions energy: -802.661 where: short stacking energy: -353.711 Base-Backbone interact. energy: -0.986 local terms energy: -378.153838 where: bonds (distance) C4'-P energy: -68.849 bonds (distance) P-C4' energy: -78.314 flat angles C4'-P-C4' energy: -81.862 flat angles P-C4'-P energy: -58.082 tors. eta vs tors. theta energy: -91.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -874.163262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.163262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.163262 (E_RNA) where: Base-Base interactions energy: -547.223 where: short stacking energy: -253.176 Base-Backbone interact. energy: -0.239 local terms energy: -326.701587 where: bonds (distance) C4'-P energy: -64.491 bonds (distance) P-C4' energy: -86.311 flat angles C4'-P-C4' energy: -71.067 flat angles P-C4'-P energy: -51.278 tors. eta vs tors. theta energy: -53.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -603.991054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.991054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.991054 (E_RNA) where: Base-Base interactions energy: -334.083 where: short stacking energy: -174.662 Base-Backbone interact. energy: 0.684 local terms energy: -270.591634 where: bonds (distance) C4'-P energy: -56.212 bonds (distance) P-C4' energy: -78.276 flat angles C4'-P-C4' energy: -67.753 flat angles P-C4'-P energy: -48.437 tors. eta vs tors. theta energy: -19.914 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: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -526.151877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.151877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.151877 (E_RNA) where: Base-Base interactions energy: -280.418 where: short stacking energy: -160.062 Base-Backbone interact. energy: -0.905 local terms energy: -244.828542 where: bonds (distance) C4'-P energy: -69.641 bonds (distance) P-C4' energy: -65.363 flat angles C4'-P-C4' energy: -54.859 flat angles P-C4'-P energy: -36.859 tors. eta vs tors. theta energy: -18.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1480.985566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.985566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.985566 (E_RNA) where: Base-Base interactions energy: -1043.178 where: short stacking energy: -434.227 Base-Backbone interact. energy: -0.071 local terms energy: -437.736385 where: bonds (distance) C4'-P energy: -77.196 bonds (distance) P-C4' energy: -80.561 flat angles C4'-P-C4' energy: -92.756 flat angles P-C4'-P energy: -70.430 tors. eta vs tors. theta energy: -116.793 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: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1452.380006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.380006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.380006 (E_RNA) where: Base-Base interactions energy: -1023.012 where: short stacking energy: -408.974 Base-Backbone interact. energy: -2.722 local terms energy: -426.646155 where: bonds (distance) C4'-P energy: -80.103 bonds (distance) P-C4' energy: -79.481 flat angles C4'-P-C4' energy: -95.326 flat angles P-C4'-P energy: -60.729 tors. eta vs tors. theta energy: -111.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1394.551510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.551510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.551510 (E_RNA) where: Base-Base interactions energy: -971.500 where: short stacking energy: -414.932 Base-Backbone interact. energy: -1.731 local terms energy: -421.320593 where: bonds (distance) C4'-P energy: -75.700 bonds (distance) P-C4' energy: -89.462 flat angles C4'-P-C4' energy: -82.913 flat angles P-C4'-P energy: -57.012 tors. eta vs tors. theta energy: -116.233 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: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1363.653479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.653479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.653479 (E_RNA) where: Base-Base interactions energy: -965.932 where: short stacking energy: -382.301 Base-Backbone interact. energy: 5.485 local terms energy: -403.206315 where: bonds (distance) C4'-P energy: -79.362 bonds (distance) P-C4' energy: -86.652 flat angles C4'-P-C4' energy: -82.936 flat angles P-C4'-P energy: -58.596 tors. eta vs tors. theta energy: -95.660 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: 1 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1232.080268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.080268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.080268 (E_RNA) where: Base-Base interactions energy: -849.213 where: short stacking energy: -341.367 Base-Backbone interact. energy: -4.042 local terms energy: -378.825721 where: bonds (distance) C4'-P energy: -75.700 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -88.741 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: -83.057 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: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1234.113546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.113546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.113546 (E_RNA) where: Base-Base interactions energy: -814.368 where: short stacking energy: -365.298 Base-Backbone interact. energy: 0.473 local terms energy: -420.218877 where: bonds (distance) C4'-P energy: -89.393 bonds (distance) P-C4' energy: -74.885 flat angles C4'-P-C4' energy: -82.433 flat angles P-C4'-P energy: -68.727 tors. eta vs tors. theta energy: -104.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1173.727275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.727275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.727275 (E_RNA) where: Base-Base interactions energy: -815.912 where: short stacking energy: -330.496 Base-Backbone interact. energy: -1.321 local terms energy: -356.627634 where: bonds (distance) C4'-P energy: -68.945 bonds (distance) P-C4' energy: -71.399 flat angles C4'-P-C4' energy: -78.645 flat angles P-C4'-P energy: -46.692 tors. eta vs tors. theta energy: -90.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.134 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -843.911384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.911384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.911384 (E_RNA) where: Base-Base interactions energy: -552.699 where: short stacking energy: -243.593 Base-Backbone interact. energy: -1.518 local terms energy: -289.694775 where: bonds (distance) C4'-P energy: -68.364 bonds (distance) P-C4' energy: -68.977 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -41.829 tors. eta vs tors. theta energy: -41.565 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: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -584.362339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.362339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.362339 (E_RNA) where: Base-Base interactions energy: -323.382 where: short stacking energy: -167.048 Base-Backbone interact. energy: -2.568 local terms energy: -258.412402 where: bonds (distance) C4'-P energy: -69.086 bonds (distance) P-C4' energy: -81.049 flat angles C4'-P-C4' energy: -68.195 flat angles P-C4'-P energy: -34.051 tors. eta vs tors. theta energy: -6.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -523.193882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.193882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.193882 (E_RNA) where: Base-Base interactions energy: -295.053 where: short stacking energy: -157.964 Base-Backbone interact. energy: 3.713 local terms energy: -231.853360 where: bonds (distance) C4'-P energy: -49.411 bonds (distance) P-C4' energy: -69.004 flat angles C4'-P-C4' energy: -64.499 flat angles P-C4'-P energy: -29.326 tors. eta vs tors. theta energy: -19.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1487.727069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.727069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.727069 (E_RNA) where: Base-Base interactions energy: -1047.741 where: short stacking energy: -437.359 Base-Backbone interact. energy: -2.325 local terms energy: -437.661308 where: bonds (distance) C4'-P energy: -75.897 bonds (distance) P-C4' energy: -80.868 flat angles C4'-P-C4' energy: -91.117 flat angles P-C4'-P energy: -68.465 tors. eta vs tors. theta energy: -121.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1463.727417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.727417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.727417 (E_RNA) where: Base-Base interactions energy: -1010.273 where: short stacking energy: -417.771 Base-Backbone interact. energy: -0.404 local terms energy: -453.050578 where: bonds (distance) C4'-P energy: -85.061 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -97.979 flat angles P-C4'-P energy: -62.581 tors. eta vs tors. theta energy: -120.679 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: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1401.494036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.494036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.494036 (E_RNA) where: Base-Base interactions energy: -990.942 where: short stacking energy: -401.085 Base-Backbone interact. energy: 0.493 local terms energy: -411.045390 where: bonds (distance) C4'-P energy: -74.436 bonds (distance) P-C4' energy: -81.214 flat angles C4'-P-C4' energy: -86.907 flat angles P-C4'-P energy: -63.766 tors. eta vs tors. theta energy: -104.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1331.273847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.273847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.273847 (E_RNA) where: Base-Base interactions energy: -925.071 where: short stacking energy: -364.246 Base-Backbone interact. energy: -1.859 local terms energy: -404.343980 where: bonds (distance) C4'-P energy: -79.277 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -94.406 flat angles P-C4'-P energy: -60.283 tors. eta vs tors. theta energy: -103.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1230.260187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.260187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.260187 (E_RNA) where: Base-Base interactions energy: -827.323 where: short stacking energy: -370.341 Base-Backbone interact. energy: 0.037 local terms energy: -402.974649 where: bonds (distance) C4'-P energy: -83.583 bonds (distance) P-C4' energy: -79.229 flat angles C4'-P-C4' energy: -88.127 flat angles P-C4'-P energy: -59.931 tors. eta vs tors. theta energy: -92.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1165.922798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.922798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.922798 (E_RNA) where: Base-Base interactions energy: -808.556 where: short stacking energy: -332.654 Base-Backbone interact. energy: -1.342 local terms energy: -356.024243 where: bonds (distance) C4'-P energy: -83.239 bonds (distance) P-C4' energy: -69.591 flat angles C4'-P-C4' energy: -75.130 flat angles P-C4'-P energy: -48.242 tors. eta vs tors. theta energy: -79.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1190.097431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.097431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.097431 (E_RNA) where: Base-Base interactions energy: -840.452 where: short stacking energy: -351.036 Base-Backbone interact. energy: -2.364 local terms energy: -347.281488 where: bonds (distance) C4'-P energy: -75.426 bonds (distance) P-C4' energy: -60.845 flat angles C4'-P-C4' energy: -84.093 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: -82.963 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: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -841.220890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.220890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.220890 (E_RNA) where: Base-Base interactions energy: -546.715 where: short stacking energy: -225.795 Base-Backbone interact. energy: 0.050 local terms energy: -294.556117 where: bonds (distance) C4'-P energy: -68.619 bonds (distance) P-C4' energy: -65.329 flat angles C4'-P-C4' energy: -72.709 flat angles P-C4'-P energy: -42.761 tors. eta vs tors. theta energy: -45.138 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: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -643.091665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.091665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.091665 (E_RNA) where: Base-Base interactions energy: -384.055 where: short stacking energy: -190.794 Base-Backbone interact. energy: -0.134 local terms energy: -258.901901 where: bonds (distance) C4'-P energy: -71.357 bonds (distance) P-C4' energy: -55.599 flat angles C4'-P-C4' energy: -72.410 flat angles P-C4'-P energy: -37.109 tors. eta vs tors. theta energy: -22.427 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: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -543.587935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.587935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.587935 (E_RNA) where: Base-Base interactions energy: -284.095 where: short stacking energy: -145.109 Base-Backbone interact. energy: 4.246 local terms energy: -263.738802 where: bonds (distance) C4'-P energy: -62.220 bonds (distance) P-C4' energy: -57.947 flat angles C4'-P-C4' energy: -82.847 flat angles P-C4'-P energy: -41.196 tors. eta vs tors. theta energy: -19.529 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: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1501.142702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.142702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.142702 (E_RNA) where: Base-Base interactions energy: -1048.559 where: short stacking energy: -424.751 Base-Backbone interact. energy: -0.660 local terms energy: -451.923915 where: bonds (distance) C4'-P energy: -78.344 bonds (distance) P-C4' energy: -98.600 flat angles C4'-P-C4' energy: -96.960 flat angles P-C4'-P energy: -61.586 tors. eta vs tors. theta energy: -116.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1458.339150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.339150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.339150 (E_RNA) where: Base-Base interactions energy: -1017.881 where: short stacking energy: -422.673 Base-Backbone interact. energy: 6.910 local terms energy: -447.367923 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -83.419 flat angles C4'-P-C4' energy: -102.386 flat angles P-C4'-P energy: -62.792 tors. eta vs tors. theta energy: -120.455 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: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1425.386265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.386265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.386265 (E_RNA) where: Base-Base interactions energy: -997.556 where: short stacking energy: -420.210 Base-Backbone interact. energy: -1.687 local terms energy: -426.143498 where: bonds (distance) C4'-P energy: -68.910 bonds (distance) P-C4' energy: -82.574 flat angles C4'-P-C4' energy: -95.969 flat angles P-C4'-P energy: -64.673 tors. eta vs tors. theta energy: -114.018 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: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1355.457942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.457942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.457942 (E_RNA) where: Base-Base interactions energy: -964.866 where: short stacking energy: -380.843 Base-Backbone interact. energy: 1.075 local terms energy: -391.667376 where: bonds (distance) C4'-P energy: -67.497 bonds (distance) P-C4' energy: -91.371 flat angles C4'-P-C4' energy: -75.850 flat angles P-C4'-P energy: -61.604 tors. eta vs tors. theta energy: -95.345 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: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1249.487472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.487472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.487472 (E_RNA) where: Base-Base interactions energy: -848.015 where: short stacking energy: -383.541 Base-Backbone interact. energy: 0.278 local terms energy: -401.750690 where: bonds (distance) C4'-P energy: -76.500 bonds (distance) P-C4' energy: -75.762 flat angles C4'-P-C4' energy: -87.021 flat angles P-C4'-P energy: -53.038 tors. eta vs tors. theta energy: -109.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1112.774556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.774556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.774556 (E_RNA) where: Base-Base interactions energy: -745.795 where: short stacking energy: -322.306 Base-Backbone interact. energy: -3.393 local terms energy: -363.586355 where: bonds (distance) C4'-P energy: -79.847 bonds (distance) P-C4' energy: -82.680 flat angles C4'-P-C4' energy: -81.092 flat angles P-C4'-P energy: -48.563 tors. eta vs tors. theta energy: -71.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1128.727659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.727659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.727659 (E_RNA) where: Base-Base interactions energy: -780.459 where: short stacking energy: -330.226 Base-Backbone interact. energy: -2.500 local terms energy: -345.768339 where: bonds (distance) C4'-P energy: -53.047 bonds (distance) P-C4' energy: -77.966 flat angles C4'-P-C4' energy: -77.996 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: -85.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -840.103275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.103275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.103275 (E_RNA) where: Base-Base interactions energy: -556.397 where: short stacking energy: -244.598 Base-Backbone interact. energy: 1.376 local terms energy: -285.082415 where: bonds (distance) C4'-P energy: -56.180 bonds (distance) P-C4' energy: -81.193 flat angles C4'-P-C4' energy: -65.946 flat angles P-C4'-P energy: -46.353 tors. eta vs tors. theta energy: -35.410 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: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -595.528760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.528760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.528760 (E_RNA) where: Base-Base interactions energy: -327.453 where: short stacking energy: -190.633 Base-Backbone interact. energy: 6.590 local terms energy: -274.665081 where: bonds (distance) C4'-P energy: -57.954 bonds (distance) P-C4' energy: -71.001 flat angles C4'-P-C4' energy: -70.486 flat angles P-C4'-P energy: -37.369 tors. eta vs tors. theta energy: -37.856 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: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -483.421338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.421338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.421338 (E_RNA) where: Base-Base interactions energy: -249.638 where: short stacking energy: -132.263 Base-Backbone interact. energy: 0.196 local terms energy: -235.173038 where: bonds (distance) C4'-P energy: -60.674 bonds (distance) P-C4' energy: -70.124 flat angles C4'-P-C4' energy: -70.735 flat angles P-C4'-P energy: -31.083 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.194 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1513.885330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.885330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.885330 (E_RNA) where: Base-Base interactions energy: -1057.049 where: short stacking energy: -432.439 Base-Backbone interact. energy: -0.706 local terms energy: -456.130401 where: bonds (distance) C4'-P energy: -87.126 bonds (distance) P-C4' energy: -85.734 flat angles C4'-P-C4' energy: -102.235 flat angles P-C4'-P energy: -61.180 tors. eta vs tors. theta energy: -119.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1477.156809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.156809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.156809 (E_RNA) where: Base-Base interactions energy: -1035.700 where: short stacking energy: -423.779 Base-Backbone interact. energy: -0.767 local terms energy: -440.690013 where: bonds (distance) C4'-P energy: -81.708 bonds (distance) P-C4' energy: -92.342 flat angles C4'-P-C4' energy: -86.381 flat angles P-C4'-P energy: -67.601 tors. eta vs tors. theta energy: -112.657 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: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1418.028556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.028556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.028556 (E_RNA) where: Base-Base interactions energy: -995.790 where: short stacking energy: -406.216 Base-Backbone interact. energy: -0.796 local terms energy: -421.443324 where: bonds (distance) C4'-P energy: -79.339 bonds (distance) P-C4' energy: -86.008 flat angles C4'-P-C4' energy: -93.552 flat angles P-C4'-P energy: -56.510 tors. eta vs tors. theta energy: -106.034 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: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1363.504844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.504844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.504844 (E_RNA) where: Base-Base interactions energy: -973.916 where: short stacking energy: -380.589 Base-Backbone interact. energy: -0.483 local terms energy: -389.105813 where: bonds (distance) C4'-P energy: -63.579 bonds (distance) P-C4' energy: -85.702 flat angles C4'-P-C4' energy: -78.896 flat angles P-C4'-P energy: -65.865 tors. eta vs tors. theta energy: -95.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1296.749558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.749558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.749558 (E_RNA) where: Base-Base interactions energy: -871.640 where: short stacking energy: -396.236 Base-Backbone interact. energy: -1.662 local terms energy: -423.447249 where: bonds (distance) C4'-P energy: -76.061 bonds (distance) P-C4' energy: -78.529 flat angles C4'-P-C4' energy: -98.414 flat angles P-C4'-P energy: -53.147 tors. eta vs tors. theta energy: -117.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1149.516303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.516303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.516303 (E_RNA) where: Base-Base interactions energy: -780.418 where: short stacking energy: -341.041 Base-Backbone interact. energy: 1.703 local terms energy: -370.801317 where: bonds (distance) C4'-P energy: -65.214 bonds (distance) P-C4' energy: -70.637 flat angles C4'-P-C4' energy: -91.744 flat angles P-C4'-P energy: -49.822 tors. eta vs tors. theta energy: -93.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1123.516216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.516216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.516216 (E_RNA) where: Base-Base interactions energy: -785.448 where: short stacking energy: -322.930 Base-Backbone interact. energy: -1.950 local terms energy: -336.118781 where: bonds (distance) C4'-P energy: -69.484 bonds (distance) P-C4' energy: -57.435 flat angles C4'-P-C4' energy: -77.569 flat angles P-C4'-P energy: -47.564 tors. eta vs tors. theta energy: -84.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -823.778414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.778414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.778414 (E_RNA) where: Base-Base interactions energy: -519.520 where: short stacking energy: -263.154 Base-Backbone interact. energy: 3.114 local terms energy: -307.372022 where: bonds (distance) C4'-P energy: -60.003 bonds (distance) P-C4' energy: -74.649 flat angles C4'-P-C4' energy: -75.797 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: -56.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -601.495299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.495299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.495299 (E_RNA) where: Base-Base interactions energy: -338.935 where: short stacking energy: -186.794 Base-Backbone interact. energy: -1.796 local terms energy: -260.763990 where: bonds (distance) C4'-P energy: -72.252 bonds (distance) P-C4' energy: -71.096 flat angles C4'-P-C4' energy: -50.619 flat angles P-C4'-P energy: -52.056 tors. eta vs tors. theta energy: -14.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -414.567235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.567235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.567235 (E_RNA) where: Base-Base interactions energy: -200.408 where: short stacking energy: -132.077 Base-Backbone interact. energy: -1.465 local terms energy: -212.694834 where: bonds (distance) C4'-P energy: -64.694 bonds (distance) P-C4' energy: -69.402 flat angles C4'-P-C4' energy: -50.536 flat angles P-C4'-P energy: -32.435 tors. eta vs tors. theta energy: 4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1531.936985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.936985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.936985 (E_RNA) where: Base-Base interactions energy: -1069.384 where: short stacking energy: -454.604 Base-Backbone interact. energy: -1.919 local terms energy: -460.633533 where: bonds (distance) C4'-P energy: -88.522 bonds (distance) P-C4' energy: -83.771 flat angles C4'-P-C4' energy: -100.301 flat angles P-C4'-P energy: -67.497 tors. eta vs tors. theta energy: -120.542 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: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1472.497026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.497026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.497026 (E_RNA) where: Base-Base interactions energy: -1015.354 where: short stacking energy: -412.156 Base-Backbone interact. energy: -1.785 local terms energy: -455.358357 where: bonds (distance) C4'-P energy: -85.921 bonds (distance) P-C4' energy: -85.928 flat angles C4'-P-C4' energy: -96.803 flat angles P-C4'-P energy: -70.431 tors. eta vs tors. theta energy: -116.276 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: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1397.652924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.652924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.652924 (E_RNA) where: Base-Base interactions energy: -982.984 where: short stacking energy: -392.462 Base-Backbone interact. energy: -0.111 local terms energy: -414.558656 where: bonds (distance) C4'-P energy: -75.498 bonds (distance) P-C4' energy: -76.835 flat angles C4'-P-C4' energy: -94.553 flat angles P-C4'-P energy: -66.832 tors. eta vs tors. theta energy: -100.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1380.947899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.947899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.947899 (E_RNA) where: Base-Base interactions energy: -989.753 where: short stacking energy: -402.676 Base-Backbone interact. energy: -2.804 local terms energy: -388.391038 where: bonds (distance) C4'-P energy: -63.179 bonds (distance) P-C4' energy: -70.860 flat angles C4'-P-C4' energy: -100.573 flat angles P-C4'-P energy: -57.286 tors. eta vs tors. theta energy: -96.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1310.621461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.621461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.621461 (E_RNA) where: Base-Base interactions energy: -915.356 where: short stacking energy: -390.109 Base-Backbone interact. energy: -0.789 local terms energy: -394.476137 where: bonds (distance) C4'-P energy: -82.050 bonds (distance) P-C4' energy: -74.775 flat angles C4'-P-C4' energy: -84.025 flat angles P-C4'-P energy: -46.321 tors. eta vs tors. theta energy: -107.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1186.448586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.448586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.448586 (E_RNA) where: Base-Base interactions energy: -786.882 where: short stacking energy: -325.334 Base-Backbone interact. energy: 1.414 local terms energy: -400.980892 where: bonds (distance) C4'-P energy: -78.934 bonds (distance) P-C4' energy: -77.666 flat angles C4'-P-C4' energy: -100.935 flat angles P-C4'-P energy: -54.011 tors. eta vs tors. theta energy: -89.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1105.107560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.107560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.107560 (E_RNA) where: Base-Base interactions energy: -761.072 where: short stacking energy: -326.725 Base-Backbone interact. energy: 1.119 local terms energy: -345.155227 where: bonds (distance) C4'-P energy: -67.801 bonds (distance) P-C4' energy: -73.784 flat angles C4'-P-C4' energy: -80.469 flat angles P-C4'-P energy: -39.838 tors. eta vs tors. theta energy: -83.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -799.190199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.190199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.190199 (E_RNA) where: Base-Base interactions energy: -506.253 where: short stacking energy: -235.895 Base-Backbone interact. energy: -1.028 local terms energy: -291.909148 where: bonds (distance) C4'-P energy: -72.471 bonds (distance) P-C4' energy: -65.182 flat angles C4'-P-C4' energy: -75.902 flat angles P-C4'-P energy: -41.798 tors. eta vs tors. theta energy: -36.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -634.747207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.747207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.747207 (E_RNA) where: Base-Base interactions energy: -362.928 where: short stacking energy: -183.092 Base-Backbone interact. energy: -1.386 local terms energy: -270.433108 where: bonds (distance) C4'-P energy: -75.275 bonds (distance) P-C4' energy: -65.607 flat angles C4'-P-C4' energy: -71.369 flat angles P-C4'-P energy: -40.138 tors. eta vs tors. theta energy: -18.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -443.882828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.882828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.882828 (E_RNA) where: Base-Base interactions energy: -203.280 where: short stacking energy: -132.671 Base-Backbone interact. energy: -0.359 local terms energy: -240.243980 where: bonds (distance) C4'-P energy: -70.143 bonds (distance) P-C4' energy: -79.176 flat angles C4'-P-C4' energy: -47.049 flat angles P-C4'-P energy: -50.987 tors. eta vs tors. theta energy: 7.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1518.523821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.523821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.523821 (E_RNA) where: Base-Base interactions energy: -1067.913 where: short stacking energy: -441.273 Base-Backbone interact. energy: -0.715 local terms energy: -449.895313 where: bonds (distance) C4'-P energy: -81.074 bonds (distance) P-C4' energy: -91.628 flat angles C4'-P-C4' energy: -99.690 flat angles P-C4'-P energy: -56.410 tors. eta vs tors. theta energy: -121.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1461.453801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.453801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.453801 (E_RNA) where: Base-Base interactions energy: -1020.587 where: short stacking energy: -432.147 Base-Backbone interact. energy: -1.973 local terms energy: -438.894078 where: bonds (distance) C4'-P energy: -75.105 bonds (distance) P-C4' energy: -92.811 flat angles C4'-P-C4' energy: -95.194 flat angles P-C4'-P energy: -67.088 tors. eta vs tors. theta energy: -108.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1391.950265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.950265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.950265 (E_RNA) where: Base-Base interactions energy: -973.209 where: short stacking energy: -389.311 Base-Backbone interact. energy: -2.913 local terms energy: -415.828541 where: bonds (distance) C4'-P energy: -88.235 bonds (distance) P-C4' energy: -75.650 flat angles C4'-P-C4' energy: -93.040 flat angles P-C4'-P energy: -62.024 tors. eta vs tors. theta energy: -96.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1366.583573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.583573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.583573 (E_RNA) where: Base-Base interactions energy: -967.398 where: short stacking energy: -382.160 Base-Backbone interact. energy: -4.139 local terms energy: -395.046364 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -72.055 flat angles C4'-P-C4' energy: -80.447 flat angles P-C4'-P energy: -67.682 tors. eta vs tors. theta energy: -96.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1342.941407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.941407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.941407 (E_RNA) where: Base-Base interactions energy: -919.255 where: short stacking energy: -411.043 Base-Backbone interact. energy: -0.547 local terms energy: -423.139470 where: bonds (distance) C4'-P energy: -79.220 bonds (distance) P-C4' energy: -89.873 flat angles C4'-P-C4' energy: -87.761 flat angles P-C4'-P energy: -53.472 tors. eta vs tors. theta energy: -112.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1187.595190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.595190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.595190 (E_RNA) where: Base-Base interactions energy: -820.763 where: short stacking energy: -347.791 Base-Backbone interact. energy: -2.429 local terms energy: -364.402881 where: bonds (distance) C4'-P energy: -63.013 bonds (distance) P-C4' energy: -79.091 flat angles C4'-P-C4' energy: -87.958 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -85.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1066.309254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.309254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.309254 (E_RNA) where: Base-Base interactions energy: -737.619 where: short stacking energy: -313.117 Base-Backbone interact. energy: 1.303 local terms energy: -329.994083 where: bonds (distance) C4'-P energy: -68.565 bonds (distance) P-C4' energy: -62.682 flat angles C4'-P-C4' energy: -75.612 flat angles P-C4'-P energy: -48.698 tors. eta vs tors. theta energy: -74.437 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: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -826.563644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.563644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.563644 (E_RNA) where: Base-Base interactions energy: -532.885 where: short stacking energy: -232.667 Base-Backbone interact. energy: 3.332 local terms energy: -297.010312 where: bonds (distance) C4'-P energy: -77.902 bonds (distance) P-C4' energy: -70.576 flat angles C4'-P-C4' energy: -53.561 flat angles P-C4'-P energy: -44.504 tors. eta vs tors. theta energy: -50.467 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: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -689.215417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.215417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.215417 (E_RNA) where: Base-Base interactions energy: -413.760 where: short stacking energy: -209.310 Base-Backbone interact. energy: -1.955 local terms energy: -273.500455 where: bonds (distance) C4'-P energy: -62.448 bonds (distance) P-C4' energy: -57.886 flat angles C4'-P-C4' energy: -82.697 flat angles P-C4'-P energy: -30.796 tors. eta vs tors. theta energy: -39.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -449.388275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.388275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.388275 (E_RNA) where: Base-Base interactions energy: -217.681 where: short stacking energy: -139.448 Base-Backbone interact. energy: -0.413 local terms energy: -231.294771 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -74.934 flat angles C4'-P-C4' energy: -64.418 flat angles P-C4'-P energy: -41.763 tors. eta vs tors. theta energy: 12.442 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: 143 Temperature: 0.900000 Total energy: -1537.749172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.749172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.749172 (E_RNA) where: Base-Base interactions energy: -1083.058 where: short stacking energy: -442.314 Base-Backbone interact. energy: -2.032 local terms energy: -452.659001 where: bonds (distance) C4'-P energy: -72.609 bonds (distance) P-C4' energy: -92.416 flat angles C4'-P-C4' energy: -102.843 flat angles P-C4'-P energy: -59.036 tors. eta vs tors. theta energy: -125.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1459.249480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.249480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.249480 (E_RNA) where: Base-Base interactions energy: -1004.175 where: short stacking energy: -416.811 Base-Backbone interact. energy: -1.455 local terms energy: -453.619180 where: bonds (distance) C4'-P energy: -79.082 bonds (distance) P-C4' energy: -93.578 flat angles C4'-P-C4' energy: -94.601 flat angles P-C4'-P energy: -68.450 tors. eta vs tors. theta energy: -117.908 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: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1394.796403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.796403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.796403 (E_RNA) where: Base-Base interactions energy: -989.092 where: short stacking energy: -397.698 Base-Backbone interact. energy: -1.572 local terms energy: -404.132431 where: bonds (distance) C4'-P energy: -73.596 bonds (distance) P-C4' energy: -77.450 flat angles C4'-P-C4' energy: -95.030 flat angles P-C4'-P energy: -56.713 tors. eta vs tors. theta energy: -101.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1319.650958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.650958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.650958 (E_RNA) where: Base-Base interactions energy: -882.853 where: short stacking energy: -379.817 Base-Backbone interact. energy: -1.781 local terms energy: -435.016852 where: bonds (distance) C4'-P energy: -86.333 bonds (distance) P-C4' energy: -88.186 flat angles C4'-P-C4' energy: -86.695 flat angles P-C4'-P energy: -67.266 tors. eta vs tors. theta energy: -106.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1327.387513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.387513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.387513 (E_RNA) where: Base-Base interactions energy: -918.925 where: short stacking energy: -357.778 Base-Backbone interact. energy: -1.056 local terms energy: -407.406306 where: bonds (distance) C4'-P energy: -69.566 bonds (distance) P-C4' energy: -88.823 flat angles C4'-P-C4' energy: -89.405 flat angles P-C4'-P energy: -63.991 tors. eta vs tors. theta energy: -95.622 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: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1111.843073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.843073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.843073 (E_RNA) where: Base-Base interactions energy: -765.202 where: short stacking energy: -330.902 Base-Backbone interact. energy: -0.606 local terms energy: -346.159029 where: bonds (distance) C4'-P energy: -56.653 bonds (distance) P-C4' energy: -79.242 flat angles C4'-P-C4' energy: -82.717 flat angles P-C4'-P energy: -47.030 tors. eta vs tors. theta energy: -80.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.123 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1126.731787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.731787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.731787 (E_RNA) where: Base-Base interactions energy: -771.457 where: short stacking energy: -341.249 Base-Backbone interact. energy: -0.367 local terms energy: -354.907481 where: bonds (distance) C4'-P energy: -63.099 bonds (distance) P-C4' energy: -68.014 flat angles C4'-P-C4' energy: -85.733 flat angles P-C4'-P energy: -54.385 tors. eta vs tors. theta energy: -83.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -831.884964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.884964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.884964 (E_RNA) where: Base-Base interactions energy: -508.311 where: short stacking energy: -241.906 Base-Backbone interact. energy: -1.194 local terms energy: -322.379188 where: bonds (distance) C4'-P energy: -68.449 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -70.201 flat angles P-C4'-P energy: -51.062 tors. eta vs tors. theta energy: -48.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -674.080912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.080912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.080912 (E_RNA) where: Base-Base interactions energy: -390.447 where: short stacking energy: -202.682 Base-Backbone interact. energy: -1.197 local terms energy: -282.436982 where: bonds (distance) C4'-P energy: -77.682 bonds (distance) P-C4' energy: -65.785 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: -24.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -466.470508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.470508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.470508 (E_RNA) where: Base-Base interactions energy: -228.332 where: short stacking energy: -106.991 Base-Backbone interact. energy: -0.461 local terms energy: -237.676965 where: bonds (distance) C4'-P energy: -64.194 bonds (distance) P-C4' energy: -82.241 flat angles C4'-P-C4' energy: -58.368 flat angles P-C4'-P energy: -42.989 tors. eta vs tors. theta energy: 10.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1496.738038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.738038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.738038 (E_RNA) where: Base-Base interactions energy: -1027.017 where: short stacking energy: -414.689 Base-Backbone interact. energy: -4.020 local terms energy: -465.700364 where: bonds (distance) C4'-P energy: -91.529 bonds (distance) P-C4' energy: -89.024 flat angles C4'-P-C4' energy: -105.992 flat angles P-C4'-P energy: -65.413 tors. eta vs tors. theta energy: -113.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1507.444016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.444016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.444016 (E_RNA) where: Base-Base interactions energy: -1064.118 where: short stacking energy: -419.054 Base-Backbone interact. energy: -3.111 local terms energy: -440.214733 where: bonds (distance) C4'-P energy: -84.716 bonds (distance) P-C4' energy: -87.327 flat angles C4'-P-C4' energy: -92.313 flat angles P-C4'-P energy: -61.325 tors. eta vs tors. theta energy: -114.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1391.216211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.216211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.216211 (E_RNA) where: Base-Base interactions energy: -985.618 where: short stacking energy: -396.741 Base-Backbone interact. energy: -1.805 local terms energy: -403.792607 where: bonds (distance) C4'-P energy: -80.777 bonds (distance) P-C4' energy: -77.229 flat angles C4'-P-C4' energy: -81.249 flat angles P-C4'-P energy: -56.941 tors. eta vs tors. theta energy: -107.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1349.063339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.063339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.063339 (E_RNA) where: Base-Base interactions energy: -927.268 where: short stacking energy: -388.603 Base-Backbone interact. energy: 0.210 local terms energy: -422.005008 where: bonds (distance) C4'-P energy: -79.721 bonds (distance) P-C4' energy: -84.987 flat angles C4'-P-C4' energy: -96.084 flat angles P-C4'-P energy: -50.864 tors. eta vs tors. theta energy: -110.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1296.913128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.913128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.913128 (E_RNA) where: Base-Base interactions energy: -907.868 where: short stacking energy: -352.870 Base-Backbone interact. energy: 2.104 local terms energy: -391.149386 where: bonds (distance) C4'-P energy: -68.254 bonds (distance) P-C4' energy: -84.033 flat angles C4'-P-C4' energy: -89.420 flat angles P-C4'-P energy: -53.901 tors. eta vs tors. theta energy: -95.542 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: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1106.565899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.565899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.565899 (E_RNA) where: Base-Base interactions energy: -757.751 where: short stacking energy: -298.599 Base-Backbone interact. energy: -1.101 local terms energy: -347.713824 where: bonds (distance) C4'-P energy: -70.286 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -76.647 flat angles P-C4'-P energy: -59.874 tors. eta vs tors. theta energy: -62.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1116.473987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.473987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.473987 (E_RNA) where: Base-Base interactions energy: -774.097 where: short stacking energy: -345.082 Base-Backbone interact. energy: -0.465 local terms energy: -341.911859 where: bonds (distance) C4'-P energy: -63.718 bonds (distance) P-C4' energy: -62.940 flat angles C4'-P-C4' energy: -82.027 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -86.226 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: 8, replica: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -829.425498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.425498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.425498 (E_RNA) where: Base-Base interactions energy: -511.229 where: short stacking energy: -264.927 Base-Backbone interact. energy: -2.315 local terms energy: -315.881583 where: bonds (distance) C4'-P energy: -70.168 bonds (distance) P-C4' energy: -71.817 flat angles C4'-P-C4' energy: -80.107 flat angles P-C4'-P energy: -44.072 tors. eta vs tors. theta energy: -49.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -653.043745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.043745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.043745 (E_RNA) where: Base-Base interactions energy: -388.765 where: short stacking energy: -200.904 Base-Backbone interact. energy: -1.418 local terms energy: -262.860861 where: bonds (distance) C4'-P energy: -60.134 bonds (distance) P-C4' energy: -67.152 flat angles C4'-P-C4' energy: -71.147 flat angles P-C4'-P energy: -43.711 tors. eta vs tors. theta energy: -20.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -451.302239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.302239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.302239 (E_RNA) where: Base-Base interactions energy: -238.130 where: short stacking energy: -148.396 Base-Backbone interact. energy: -1.150 local terms energy: -212.022016 where: bonds (distance) C4'-P energy: -54.136 bonds (distance) P-C4' energy: -63.278 flat angles C4'-P-C4' energy: -62.806 flat angles P-C4'-P energy: -20.741 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: 1, replica: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1481.299636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.299636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.299636 (E_RNA) where: Base-Base interactions energy: -1035.778 where: short stacking energy: -443.794 Base-Backbone interact. energy: -0.665 local terms energy: -444.856582 where: bonds (distance) C4'-P energy: -87.523 bonds (distance) P-C4' energy: -80.564 flat angles C4'-P-C4' energy: -97.674 flat angles P-C4'-P energy: -60.931 tors. eta vs tors. theta energy: -118.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1481.466652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.466652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.466652 (E_RNA) where: Base-Base interactions energy: -1045.634 where: short stacking energy: -422.232 Base-Backbone interact. energy: 0.168 local terms energy: -436.000117 where: bonds (distance) C4'-P energy: -88.344 bonds (distance) P-C4' energy: -85.231 flat angles C4'-P-C4' energy: -92.014 flat angles P-C4'-P energy: -50.123 tors. eta vs tors. theta energy: -120.288 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: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1387.641402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.641402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.641402 (E_RNA) where: Base-Base interactions energy: -946.215 where: short stacking energy: -407.777 Base-Backbone interact. energy: -2.385 local terms energy: -439.041777 where: bonds (distance) C4'-P energy: -85.372 bonds (distance) P-C4' energy: -85.236 flat angles C4'-P-C4' energy: -101.969 flat angles P-C4'-P energy: -61.195 tors. eta vs tors. theta energy: -105.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1340.514771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.514771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.514771 (E_RNA) where: Base-Base interactions energy: -929.431 where: short stacking energy: -404.732 Base-Backbone interact. energy: -1.665 local terms energy: -409.419605 where: bonds (distance) C4'-P energy: -78.278 bonds (distance) P-C4' energy: -84.744 flat angles C4'-P-C4' energy: -89.690 flat angles P-C4'-P energy: -56.782 tors. eta vs tors. theta energy: -99.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1301.437042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.437042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.437042 (E_RNA) where: Base-Base interactions energy: -940.492 where: short stacking energy: -367.345 Base-Backbone interact. energy: -1.272 local terms energy: -359.673260 where: bonds (distance) C4'-P energy: -68.743 bonds (distance) P-C4' energy: -66.121 flat angles C4'-P-C4' energy: -81.161 flat angles P-C4'-P energy: -49.651 tors. eta vs tors. theta energy: -93.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1184.226779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.226779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.226779 (E_RNA) where: Base-Base interactions energy: -798.287 where: short stacking energy: -346.538 Base-Backbone interact. energy: -1.134 local terms energy: -384.806407 where: bonds (distance) C4'-P energy: -67.578 bonds (distance) P-C4' energy: -82.255 flat angles C4'-P-C4' energy: -77.835 flat angles P-C4'-P energy: -60.218 tors. eta vs tors. theta energy: -96.920 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: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1091.977432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.977432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.977432 (E_RNA) where: Base-Base interactions energy: -753.155 where: short stacking energy: -301.732 Base-Backbone interact. energy: -0.137 local terms energy: -338.685850 where: bonds (distance) C4'-P energy: -74.035 bonds (distance) P-C4' energy: -76.329 flat angles C4'-P-C4' energy: -68.566 flat angles P-C4'-P energy: -52.760 tors. eta vs tors. theta energy: -66.995 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: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -816.693682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.693682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.693682 (E_RNA) where: Base-Base interactions energy: -535.844 where: short stacking energy: -235.254 Base-Backbone interact. energy: -1.332 local terms energy: -279.517722 where: bonds (distance) C4'-P energy: -69.968 bonds (distance) P-C4' energy: -64.178 flat angles C4'-P-C4' energy: -54.346 flat angles P-C4'-P energy: -51.553 tors. eta vs tors. theta energy: -39.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -666.853310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.853310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.853310 (E_RNA) where: Base-Base interactions energy: -362.241 where: short stacking energy: -193.776 Base-Backbone interact. energy: 1.334 local terms energy: -305.945560 where: bonds (distance) C4'-P energy: -81.369 bonds (distance) P-C4' energy: -58.969 flat angles C4'-P-C4' energy: -60.743 flat angles P-C4'-P energy: -57.868 tors. eta vs tors. theta energy: -46.996 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: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -435.838671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.838671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.838671 (E_RNA) where: Base-Base interactions energy: -213.651 where: short stacking energy: -122.608 Base-Backbone interact. energy: -0.117 local terms energy: -222.070663 where: bonds (distance) C4'-P energy: -59.629 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -56.630 flat angles P-C4'-P energy: -43.393 tors. eta vs tors. theta energy: 5.285 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: 146 Temperature: 0.900000 Total energy: -1509.623490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.623490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.623490 (E_RNA) where: Base-Base interactions energy: -1079.097 where: short stacking energy: -435.865 Base-Backbone interact. energy: -1.900 local terms energy: -428.626246 where: bonds (distance) C4'-P energy: -80.589 bonds (distance) P-C4' energy: -83.398 flat angles C4'-P-C4' energy: -82.767 flat angles P-C4'-P energy: -68.739 tors. eta vs tors. theta energy: -113.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1450.301386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.301386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.301386 (E_RNA) where: Base-Base interactions energy: -1024.985 where: short stacking energy: -435.864 Base-Backbone interact. energy: -1.303 local terms energy: -424.013750 where: bonds (distance) C4'-P energy: -79.432 bonds (distance) P-C4' energy: -64.382 flat angles C4'-P-C4' energy: -96.796 flat angles P-C4'-P energy: -64.264 tors. eta vs tors. theta energy: -119.140 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: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1398.562900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.562900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.562900 (E_RNA) where: Base-Base interactions energy: -988.700 where: short stacking energy: -422.602 Base-Backbone interact. energy: -3.580 local terms energy: -406.282833 where: bonds (distance) C4'-P energy: -74.185 bonds (distance) P-C4' energy: -82.890 flat angles C4'-P-C4' energy: -90.690 flat angles P-C4'-P energy: -52.848 tors. eta vs tors. theta energy: -105.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1368.222441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.222441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.222441 (E_RNA) where: Base-Base interactions energy: -930.233 where: short stacking energy: -394.253 Base-Backbone interact. energy: -0.621 local terms energy: -437.368533 where: bonds (distance) C4'-P energy: -80.694 bonds (distance) P-C4' energy: -86.585 flat angles C4'-P-C4' energy: -82.681 flat angles P-C4'-P energy: -68.531 tors. eta vs tors. theta energy: -118.878 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: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1280.410092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.410092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.410092 (E_RNA) where: Base-Base interactions energy: -881.492 where: short stacking energy: -364.538 Base-Backbone interact. energy: -0.988 local terms energy: -397.930353 where: bonds (distance) C4'-P energy: -78.989 bonds (distance) P-C4' energy: -72.450 flat angles C4'-P-C4' energy: -87.377 flat angles P-C4'-P energy: -62.199 tors. eta vs tors. theta energy: -96.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1174.937508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.937508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.937508 (E_RNA) where: Base-Base interactions energy: -812.288 where: short stacking energy: -341.477 Base-Backbone interact. energy: -0.723 local terms energy: -361.926348 where: bonds (distance) C4'-P energy: -86.502 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -79.754 flat angles P-C4'-P energy: -48.265 tors. eta vs tors. theta energy: -80.928 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: 146 Temperature: 1.200000 Total energy: -1052.131581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.131581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.131581 (E_RNA) where: Base-Base interactions energy: -716.966 where: short stacking energy: -274.695 Base-Backbone interact. energy: -1.635 local terms energy: -333.530783 where: bonds (distance) C4'-P energy: -70.699 bonds (distance) P-C4' energy: -71.974 flat angles C4'-P-C4' energy: -73.650 flat angles P-C4'-P energy: -54.988 tors. eta vs tors. theta energy: -62.219 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: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -778.557367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.557367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.557367 (E_RNA) where: Base-Base interactions energy: -499.776 where: short stacking energy: -214.427 Base-Backbone interact. energy: 1.144 local terms energy: -279.924691 where: bonds (distance) C4'-P energy: -67.376 bonds (distance) P-C4' energy: -71.428 flat angles C4'-P-C4' energy: -73.961 flat angles P-C4'-P energy: -42.887 tors. eta vs tors. theta energy: -24.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -698.518686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.518686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.518686 (E_RNA) where: Base-Base interactions energy: -424.180 where: short stacking energy: -184.895 Base-Backbone interact. energy: 6.766 local terms energy: -281.104462 where: bonds (distance) C4'-P energy: -78.608 bonds (distance) P-C4' energy: -79.038 flat angles C4'-P-C4' energy: -69.546 flat angles P-C4'-P energy: -31.356 tors. eta vs tors. theta energy: -22.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -430.625883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.625883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.625883 (E_RNA) where: Base-Base interactions energy: -198.074 where: short stacking energy: -117.935 Base-Backbone interact. energy: -2.912 local terms energy: -229.640050 where: bonds (distance) C4'-P energy: -45.814 bonds (distance) P-C4' energy: -86.061 flat angles C4'-P-C4' energy: -71.952 flat angles P-C4'-P energy: -38.696 tors. eta vs tors. theta energy: 12.883 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: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1536.674840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.674840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.674840 (E_RNA) where: Base-Base interactions energy: -1095.118 where: short stacking energy: -437.228 Base-Backbone interact. energy: -0.992 local terms energy: -440.565415 where: bonds (distance) C4'-P energy: -83.768 bonds (distance) P-C4' energy: -88.888 flat angles C4'-P-C4' energy: -91.692 flat angles P-C4'-P energy: -58.402 tors. eta vs tors. theta energy: -117.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1457.271011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.271011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.271011 (E_RNA) where: Base-Base interactions energy: -1003.226 where: short stacking energy: -416.148 Base-Backbone interact. energy: -2.561 local terms energy: -451.483568 where: bonds (distance) C4'-P energy: -91.012 bonds (distance) P-C4' energy: -91.913 flat angles C4'-P-C4' energy: -95.532 flat angles P-C4'-P energy: -64.004 tors. eta vs tors. theta energy: -109.023 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: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1370.785120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.785120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.785120 (E_RNA) where: Base-Base interactions energy: -954.347 where: short stacking energy: -405.335 Base-Backbone interact. energy: -1.386 local terms energy: -415.051612 where: bonds (distance) C4'-P energy: -77.919 bonds (distance) P-C4' energy: -89.902 flat angles C4'-P-C4' energy: -92.825 flat angles P-C4'-P energy: -54.318 tors. eta vs tors. theta energy: -100.087 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: 4, replica: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1350.877488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.877488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.877488 (E_RNA) where: Base-Base interactions energy: -948.492 where: short stacking energy: -414.019 Base-Backbone interact. energy: 0.001 local terms energy: -402.386332 where: bonds (distance) C4'-P energy: -68.733 bonds (distance) P-C4' energy: -78.089 flat angles C4'-P-C4' energy: -93.604 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -111.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1301.473143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.473143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.473143 (E_RNA) where: Base-Base interactions energy: -910.972 where: short stacking energy: -370.874 Base-Backbone interact. energy: -5.677 local terms energy: -384.823746 where: bonds (distance) C4'-P energy: -78.685 bonds (distance) P-C4' energy: -73.083 flat angles C4'-P-C4' energy: -86.754 flat angles P-C4'-P energy: -60.470 tors. eta vs tors. theta energy: -85.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1179.117370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.117370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.117370 (E_RNA) where: Base-Base interactions energy: -800.111 where: short stacking energy: -362.286 Base-Backbone interact. energy: -0.790 local terms energy: -378.216761 where: bonds (distance) C4'-P energy: -77.006 bonds (distance) P-C4' energy: -69.655 flat angles C4'-P-C4' energy: -77.482 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -100.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1014.714641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.714641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.714641 (E_RNA) where: Base-Base interactions energy: -675.079 where: short stacking energy: -309.712 Base-Backbone interact. energy: 1.239 local terms energy: -340.874738 where: bonds (distance) C4'-P energy: -66.004 bonds (distance) P-C4' energy: -73.056 flat angles C4'-P-C4' energy: -69.818 flat angles P-C4'-P energy: -49.631 tors. eta vs tors. theta energy: -82.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -806.425570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.425570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.425570 (E_RNA) where: Base-Base interactions energy: -491.600 where: short stacking energy: -224.836 Base-Backbone interact. energy: -1.013 local terms energy: -313.812659 where: bonds (distance) C4'-P energy: -79.515 bonds (distance) P-C4' energy: -75.611 flat angles C4'-P-C4' energy: -76.936 flat angles P-C4'-P energy: -51.389 tors. eta vs tors. theta energy: -30.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -694.536540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.536540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.536540 (E_RNA) where: Base-Base interactions energy: -433.189 where: short stacking energy: -225.750 Base-Backbone interact. energy: -1.163 local terms energy: -260.184474 where: bonds (distance) C4'-P energy: -67.922 bonds (distance) P-C4' energy: -66.156 flat angles C4'-P-C4' energy: -67.590 flat angles P-C4'-P energy: -21.002 tors. eta vs tors. theta energy: -37.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -449.280877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.280877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.280877 (E_RNA) where: Base-Base interactions energy: -233.754 where: short stacking energy: -134.986 Base-Backbone interact. energy: -3.390 local terms energy: -212.136629 where: bonds (distance) C4'-P energy: -51.891 bonds (distance) P-C4' energy: -72.303 flat angles C4'-P-C4' energy: -60.280 flat angles P-C4'-P energy: -24.097 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1529.894789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.894789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.894789 (E_RNA) where: Base-Base interactions energy: -1085.034 where: short stacking energy: -420.489 Base-Backbone interact. energy: 0.235 local terms energy: -445.095397 where: bonds (distance) C4'-P energy: -80.346 bonds (distance) P-C4' energy: -90.513 flat angles C4'-P-C4' energy: -95.745 flat angles P-C4'-P energy: -51.737 tors. eta vs tors. theta energy: -126.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1440.628598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.628598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.628598 (E_RNA) where: Base-Base interactions energy: -1006.726 where: short stacking energy: -430.684 Base-Backbone interact. energy: -2.660 local terms energy: -431.243035 where: bonds (distance) C4'-P energy: -84.953 bonds (distance) P-C4' energy: -92.216 flat angles C4'-P-C4' energy: -90.498 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -110.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1362.891296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.891296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.891296 (E_RNA) where: Base-Base interactions energy: -949.698 where: short stacking energy: -418.940 Base-Backbone interact. energy: -1.991 local terms energy: -411.201880 where: bonds (distance) C4'-P energy: -78.456 bonds (distance) P-C4' energy: -80.219 flat angles C4'-P-C4' energy: -93.253 flat angles P-C4'-P energy: -57.864 tors. eta vs tors. theta energy: -101.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1365.706014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.706014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.706014 (E_RNA) where: Base-Base interactions energy: -936.593 where: short stacking energy: -407.006 Base-Backbone interact. energy: -0.160 local terms energy: -428.952148 where: bonds (distance) C4'-P energy: -79.026 bonds (distance) P-C4' energy: -75.419 flat angles C4'-P-C4' energy: -87.490 flat angles P-C4'-P energy: -64.351 tors. eta vs tors. theta energy: -122.665 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: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1259.524006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.524006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.524006 (E_RNA) where: Base-Base interactions energy: -895.864 where: short stacking energy: -340.713 Base-Backbone interact. energy: -2.130 local terms energy: -361.529759 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -68.301 flat angles C4'-P-C4' energy: -81.849 flat angles P-C4'-P energy: -47.285 tors. eta vs tors. theta energy: -95.470 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: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1187.944504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.944504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.944504 (E_RNA) where: Base-Base interactions energy: -790.456 where: short stacking energy: -342.043 Base-Backbone interact. energy: -0.910 local terms energy: -396.578364 where: bonds (distance) C4'-P energy: -73.037 bonds (distance) P-C4' energy: -69.199 flat angles C4'-P-C4' energy: -88.581 flat angles P-C4'-P energy: -66.537 tors. eta vs tors. theta energy: -99.225 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: 7, replica: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1041.471619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.471619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.471619 (E_RNA) where: Base-Base interactions energy: -689.891 where: short stacking energy: -290.919 Base-Backbone interact. energy: -3.431 local terms energy: -348.149222 where: bonds (distance) C4'-P energy: -70.972 bonds (distance) P-C4' energy: -83.233 flat angles C4'-P-C4' energy: -82.509 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: -65.524 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: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -846.682664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.682664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.682664 (E_RNA) where: Base-Base interactions energy: -531.959 where: short stacking energy: -232.897 Base-Backbone interact. energy: -1.249 local terms energy: -313.474540 where: bonds (distance) C4'-P energy: -63.948 bonds (distance) P-C4' energy: -90.395 flat angles C4'-P-C4' energy: -82.105 flat angles P-C4'-P energy: -39.633 tors. eta vs tors. theta energy: -37.393 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: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -684.498768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.498768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.498768 (E_RNA) where: Base-Base interactions energy: -409.082 where: short stacking energy: -193.047 Base-Backbone interact. energy: -0.533 local terms energy: -274.883093 where: bonds (distance) C4'-P energy: -78.439 bonds (distance) P-C4' energy: -48.276 flat angles C4'-P-C4' energy: -72.418 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: -20.369 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: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -420.938166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.938166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.938166 (E_RNA) where: Base-Base interactions energy: -221.823 where: short stacking energy: -132.541 Base-Backbone interact. energy: 5.679 local terms energy: -204.793865 where: bonds (distance) C4'-P energy: -54.863 bonds (distance) P-C4' energy: -52.283 flat angles C4'-P-C4' energy: -55.268 flat angles P-C4'-P energy: -43.569 tors. eta vs tors. theta energy: 1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1516.318496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.318496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.318496 (E_RNA) where: Base-Base interactions energy: -1079.485 where: short stacking energy: -436.539 Base-Backbone interact. energy: -2.487 local terms energy: -434.346669 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -76.267 flat angles C4'-P-C4' energy: -98.150 flat angles P-C4'-P energy: -54.561 tors. eta vs tors. theta energy: -123.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1445.071290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.071290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.071290 (E_RNA) where: Base-Base interactions energy: -1019.519 where: short stacking energy: -412.974 Base-Backbone interact. energy: -2.147 local terms energy: -423.405912 where: bonds (distance) C4'-P energy: -67.047 bonds (distance) P-C4' energy: -94.126 flat angles C4'-P-C4' energy: -93.659 flat angles P-C4'-P energy: -55.584 tors. eta vs tors. theta energy: -112.990 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: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1400.911816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.911816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.911816 (E_RNA) where: Base-Base interactions energy: -992.912 where: short stacking energy: -406.759 Base-Backbone interact. energy: -1.307 local terms energy: -406.693474 where: bonds (distance) C4'-P energy: -77.000 bonds (distance) P-C4' energy: -79.977 flat angles C4'-P-C4' energy: -86.194 flat angles P-C4'-P energy: -58.951 tors. eta vs tors. theta energy: -104.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1320.337646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.337646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.337646 (E_RNA) where: Base-Base interactions energy: -922.463 where: short stacking energy: -393.498 Base-Backbone interact. energy: -0.846 local terms energy: -397.028709 where: bonds (distance) C4'-P energy: -82.346 bonds (distance) P-C4' energy: -82.933 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -53.165 tors. eta vs tors. theta energy: -100.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1257.350270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.350270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.350270 (E_RNA) where: Base-Base interactions energy: -908.940 where: short stacking energy: -353.256 Base-Backbone interact. energy: -1.646 local terms energy: -346.764256 where: bonds (distance) C4'-P energy: -61.250 bonds (distance) P-C4' energy: -76.004 flat angles C4'-P-C4' energy: -80.000 flat angles P-C4'-P energy: -47.090 tors. eta vs tors. theta energy: -82.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1135.387815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.387815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.387815 (E_RNA) where: Base-Base interactions energy: -748.305 where: short stacking energy: -321.730 Base-Backbone interact. energy: -0.611 local terms energy: -386.472345 where: bonds (distance) C4'-P energy: -81.283 bonds (distance) P-C4' energy: -79.023 flat angles C4'-P-C4' energy: -85.429 flat angles P-C4'-P energy: -50.384 tors. eta vs tors. theta energy: -90.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -976.831483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.831483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.831483 (E_RNA) where: Base-Base interactions energy: -648.800 where: short stacking energy: -279.379 Base-Backbone interact. energy: -2.463 local terms energy: -325.568435 where: bonds (distance) C4'-P energy: -72.598 bonds (distance) P-C4' energy: -65.742 flat angles C4'-P-C4' energy: -63.214 flat angles P-C4'-P energy: -52.646 tors. eta vs tors. theta energy: -71.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -887.055353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.055353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.055353 (E_RNA) where: Base-Base interactions energy: -596.169 where: short stacking energy: -248.695 Base-Backbone interact. energy: -1.495 local terms energy: -289.391924 where: bonds (distance) C4'-P energy: -55.157 bonds (distance) P-C4' energy: -76.680 flat angles C4'-P-C4' energy: -72.146 flat angles P-C4'-P energy: -40.418 tors. eta vs tors. theta energy: -44.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -708.192356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.192356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.192356 (E_RNA) where: Base-Base interactions energy: -425.669 where: short stacking energy: -198.035 Base-Backbone interact. energy: 0.001 local terms energy: -282.524603 where: bonds (distance) C4'-P energy: -61.365 bonds (distance) P-C4' energy: -72.766 flat angles C4'-P-C4' energy: -62.509 flat angles P-C4'-P energy: -41.666 tors. eta vs tors. theta energy: -44.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -476.696461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.696461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.696461 (E_RNA) where: Base-Base interactions energy: -255.312 where: short stacking energy: -142.715 Base-Backbone interact. energy: -0.400 local terms energy: -220.984857 where: bonds (distance) C4'-P energy: -58.112 bonds (distance) P-C4' energy: -70.622 flat angles C4'-P-C4' energy: -60.474 flat angles P-C4'-P energy: -33.854 tors. eta vs tors. theta energy: 2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1534.677415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.677415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.677415 (E_RNA) where: Base-Base interactions energy: -1083.419 where: short stacking energy: -437.938 Base-Backbone interact. energy: -4.546 local terms energy: -446.711943 where: bonds (distance) C4'-P energy: -90.909 bonds (distance) P-C4' energy: -76.780 flat angles C4'-P-C4' energy: -88.933 flat angles P-C4'-P energy: -62.279 tors. eta vs tors. theta energy: -127.811 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: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1458.077363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.077363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.077363 (E_RNA) where: Base-Base interactions energy: -1033.436 where: short stacking energy: -436.178 Base-Backbone interact. energy: -0.196 local terms energy: -424.445602 where: bonds (distance) C4'-P energy: -75.122 bonds (distance) P-C4' energy: -80.630 flat angles C4'-P-C4' energy: -93.573 flat angles P-C4'-P energy: -60.486 tors. eta vs tors. theta energy: -114.635 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: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1401.118571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.118571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.118571 (E_RNA) where: Base-Base interactions energy: -979.586 where: short stacking energy: -415.364 Base-Backbone interact. energy: -3.107 local terms energy: -418.426148 where: bonds (distance) C4'-P energy: -84.179 bonds (distance) P-C4' energy: -76.166 flat angles C4'-P-C4' energy: -90.178 flat angles P-C4'-P energy: -65.255 tors. eta vs tors. theta energy: -102.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1305.129854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.129854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.129854 (E_RNA) where: Base-Base interactions energy: -906.177 where: short stacking energy: -383.232 Base-Backbone interact. energy: -0.045 local terms energy: -398.907711 where: bonds (distance) C4'-P energy: -81.887 bonds (distance) P-C4' energy: -78.509 flat angles C4'-P-C4' energy: -87.570 flat angles P-C4'-P energy: -51.319 tors. eta vs tors. theta energy: -99.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1266.669705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.669705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.669705 (E_RNA) where: Base-Base interactions energy: -868.292 where: short stacking energy: -360.465 Base-Backbone interact. energy: -1.527 local terms energy: -396.850483 where: bonds (distance) C4'-P energy: -76.242 bonds (distance) P-C4' energy: -77.480 flat angles C4'-P-C4' energy: -89.172 flat angles P-C4'-P energy: -60.424 tors. eta vs tors. theta energy: -93.533 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: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1103.298810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.298810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.298810 (E_RNA) where: Base-Base interactions energy: -743.098 where: short stacking energy: -337.861 Base-Backbone interact. energy: -0.644 local terms energy: -359.556950 where: bonds (distance) C4'-P energy: -67.097 bonds (distance) P-C4' energy: -72.103 flat angles C4'-P-C4' energy: -86.524 flat angles P-C4'-P energy: -49.965 tors. eta vs tors. theta energy: -83.869 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: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -993.452782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.452782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.452782 (E_RNA) where: Base-Base interactions energy: -648.733 where: short stacking energy: -286.460 Base-Backbone interact. energy: 1.838 local terms energy: -346.557681 where: bonds (distance) C4'-P energy: -73.991 bonds (distance) P-C4' energy: -90.038 flat angles C4'-P-C4' energy: -66.788 flat angles P-C4'-P energy: -53.707 tors. eta vs tors. theta energy: -62.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -911.889100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.889100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.889100 (E_RNA) where: Base-Base interactions energy: -604.188 where: short stacking energy: -247.792 Base-Backbone interact. energy: -0.905 local terms energy: -306.796100 where: bonds (distance) C4'-P energy: -53.127 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -67.319 flat angles P-C4'-P energy: -60.272 tors. eta vs tors. theta energy: -55.254 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: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -766.970012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.970012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.970012 (E_RNA) where: Base-Base interactions energy: -461.453 where: short stacking energy: -241.916 Base-Backbone interact. energy: -1.627 local terms energy: -303.890290 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -77.116 flat angles C4'-P-C4' energy: -84.103 flat angles P-C4'-P energy: -37.770 tors. eta vs tors. theta energy: -39.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -421.739021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.739021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.739021 (E_RNA) where: Base-Base interactions energy: -180.073 where: short stacking energy: -102.507 Base-Backbone interact. energy: -2.014 local terms energy: -239.652116 where: bonds (distance) C4'-P energy: -73.133 bonds (distance) P-C4' energy: -71.801 flat angles C4'-P-C4' energy: -61.272 flat angles P-C4'-P energy: -36.507 tors. eta vs tors. theta energy: 3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1539.482199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.482199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.482199 (E_RNA) where: Base-Base interactions energy: -1085.359 where: short stacking energy: -435.512 Base-Backbone interact. energy: -0.747 local terms energy: -453.376748 where: bonds (distance) C4'-P energy: -82.047 bonds (distance) P-C4' energy: -89.319 flat angles C4'-P-C4' energy: -97.190 flat angles P-C4'-P energy: -64.393 tors. eta vs tors. theta energy: -120.428 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: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1470.650014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.650014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.650014 (E_RNA) where: Base-Base interactions energy: -1046.529 where: short stacking energy: -426.116 Base-Backbone interact. energy: -3.813 local terms energy: -420.307812 where: bonds (distance) C4'-P energy: -76.331 bonds (distance) P-C4' energy: -80.540 flat angles C4'-P-C4' energy: -90.401 flat angles P-C4'-P energy: -59.282 tors. eta vs tors. theta energy: -113.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1406.077391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.077391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.077391 (E_RNA) where: Base-Base interactions energy: -988.403 where: short stacking energy: -408.795 Base-Backbone interact. energy: -0.893 local terms energy: -416.781122 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -70.911 flat angles C4'-P-C4' energy: -93.387 flat angles P-C4'-P energy: -70.885 tors. eta vs tors. theta energy: -101.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1272.292907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.292907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.292907 (E_RNA) where: Base-Base interactions energy: -874.728 where: short stacking energy: -360.860 Base-Backbone interact. energy: 1.494 local terms energy: -399.058380 where: bonds (distance) C4'-P energy: -64.607 bonds (distance) P-C4' energy: -86.088 flat angles C4'-P-C4' energy: -91.535 flat angles P-C4'-P energy: -68.813 tors. eta vs tors. theta energy: -88.015 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: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1281.189087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.189087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.189087 (E_RNA) where: Base-Base interactions energy: -887.639 where: short stacking energy: -399.334 Base-Backbone interact. energy: -1.047 local terms energy: -392.502429 where: bonds (distance) C4'-P energy: -73.050 bonds (distance) P-C4' energy: -77.316 flat angles C4'-P-C4' energy: -77.122 flat angles P-C4'-P energy: -57.163 tors. eta vs tors. theta energy: -107.851 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: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1098.348652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.348652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.348652 (E_RNA) where: Base-Base interactions energy: -727.336 where: short stacking energy: -315.732 Base-Backbone interact. energy: -1.081 local terms energy: -369.932417 where: bonds (distance) C4'-P energy: -85.437 bonds (distance) P-C4' energy: -76.717 flat angles C4'-P-C4' energy: -79.943 flat angles P-C4'-P energy: -45.419 tors. eta vs tors. theta energy: -82.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -986.614424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.614424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.614424 (E_RNA) where: Base-Base interactions energy: -659.643 where: short stacking energy: -282.678 Base-Backbone interact. energy: 2.612 local terms energy: -329.583759 where: bonds (distance) C4'-P energy: -74.094 bonds (distance) P-C4' energy: -74.878 flat angles C4'-P-C4' energy: -76.708 flat angles P-C4'-P energy: -37.388 tors. eta vs tors. theta energy: -66.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -904.579255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.579255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.579255 (E_RNA) where: Base-Base interactions energy: -614.912 where: short stacking energy: -255.518 Base-Backbone interact. energy: 0.848 local terms energy: -290.515149 where: bonds (distance) C4'-P energy: -72.319 bonds (distance) P-C4' energy: -68.236 flat angles C4'-P-C4' energy: -75.918 flat angles P-C4'-P energy: -31.994 tors. eta vs tors. theta energy: -42.049 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: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -763.623198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.623198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.623198 (E_RNA) where: Base-Base interactions energy: -483.037 where: short stacking energy: -212.345 Base-Backbone interact. energy: 3.021 local terms energy: -283.607352 where: bonds (distance) C4'-P energy: -59.467 bonds (distance) P-C4' energy: -75.954 flat angles C4'-P-C4' energy: -65.682 flat angles P-C4'-P energy: -46.068 tors. eta vs tors. theta energy: -36.437 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: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -444.550174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.550174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.550174 (E_RNA) where: Base-Base interactions energy: -207.497 where: short stacking energy: -118.697 Base-Backbone interact. energy: 0.208 local terms energy: -237.261420 where: bonds (distance) C4'-P energy: -59.384 bonds (distance) P-C4' energy: -78.358 flat angles C4'-P-C4' energy: -60.521 flat angles P-C4'-P energy: -36.616 tors. eta vs tors. theta energy: -2.383 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: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1546.428743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.428743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.428743 (E_RNA) where: Base-Base interactions energy: -1099.255 where: short stacking energy: -438.232 Base-Backbone interact. energy: 1.847 local terms energy: -449.020282 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -81.798 flat angles C4'-P-C4' energy: -98.000 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: -122.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1450.861501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.861501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.861501 (E_RNA) where: Base-Base interactions energy: -1022.009 where: short stacking energy: -418.287 Base-Backbone interact. energy: -1.389 local terms energy: -427.463454 where: bonds (distance) C4'-P energy: -78.669 bonds (distance) P-C4' energy: -93.769 flat angles C4'-P-C4' energy: -82.344 flat angles P-C4'-P energy: -62.657 tors. eta vs tors. theta energy: -110.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1407.483827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.483827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.483827 (E_RNA) where: Base-Base interactions energy: -987.346 where: short stacking energy: -412.739 Base-Backbone interact. energy: -0.094 local terms energy: -420.044018 where: bonds (distance) C4'-P energy: -95.026 bonds (distance) P-C4' energy: -75.263 flat angles C4'-P-C4' energy: -75.870 flat angles P-C4'-P energy: -64.240 tors. eta vs tors. theta energy: -109.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1260.519905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.519905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.519905 (E_RNA) where: Base-Base interactions energy: -881.449 where: short stacking energy: -354.827 Base-Backbone interact. energy: -0.666 local terms energy: -378.404870 where: bonds (distance) C4'-P energy: -66.953 bonds (distance) P-C4' energy: -91.251 flat angles C4'-P-C4' energy: -70.950 flat angles P-C4'-P energy: -53.976 tors. eta vs tors. theta energy: -95.274 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: 152 Temperature: 1.100000 Total energy: -1250.274671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.274671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.274671 (E_RNA) where: Base-Base interactions energy: -863.565 where: short stacking energy: -368.406 Base-Backbone interact. energy: 0.786 local terms energy: -387.496322 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -77.870 flat angles C4'-P-C4' energy: -86.730 flat angles P-C4'-P energy: -60.956 tors. eta vs tors. theta energy: -98.725 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: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1120.830134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.830134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.830134 (E_RNA) where: Base-Base interactions energy: -743.382 where: short stacking energy: -320.664 Base-Backbone interact. energy: -1.262 local terms energy: -376.186236 where: bonds (distance) C4'-P energy: -71.196 bonds (distance) P-C4' energy: -82.214 flat angles C4'-P-C4' energy: -76.794 flat angles P-C4'-P energy: -57.877 tors. eta vs tors. theta energy: -88.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1005.908443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.908443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.908443 (E_RNA) where: Base-Base interactions energy: -673.104 where: short stacking energy: -295.338 Base-Backbone interact. energy: -1.170 local terms energy: -331.634855 where: bonds (distance) C4'-P energy: -66.143 bonds (distance) P-C4' energy: -72.949 flat angles C4'-P-C4' energy: -81.419 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -64.696 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: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -902.716217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.716217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.716217 (E_RNA) where: Base-Base interactions energy: -582.041 where: short stacking energy: -258.358 Base-Backbone interact. energy: 0.197 local terms energy: -320.872438 where: bonds (distance) C4'-P energy: -73.231 bonds (distance) P-C4' energy: -65.925 flat angles C4'-P-C4' energy: -76.034 flat angles P-C4'-P energy: -53.098 tors. eta vs tors. theta energy: -52.584 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: 5 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -745.988281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.988281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.988281 (E_RNA) where: Base-Base interactions energy: -451.361 where: short stacking energy: -216.437 Base-Backbone interact. energy: -0.902 local terms energy: -293.726003 where: bonds (distance) C4'-P energy: -57.512 bonds (distance) P-C4' energy: -76.225 flat angles C4'-P-C4' energy: -67.681 flat angles P-C4'-P energy: -46.565 tors. eta vs tors. theta energy: -45.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -442.030378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.030378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.030378 (E_RNA) where: Base-Base interactions energy: -214.198 where: short stacking energy: -119.102 Base-Backbone interact. energy: 2.789 local terms energy: -230.620923 where: bonds (distance) C4'-P energy: -64.315 bonds (distance) P-C4' energy: -69.808 flat angles C4'-P-C4' energy: -59.390 flat angles P-C4'-P energy: -34.924 tors. eta vs tors. theta energy: -2.184 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: 153 Temperature: 0.900000 Total energy: -1530.729333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.729333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.729333 (E_RNA) where: Base-Base interactions energy: -1073.555 where: short stacking energy: -446.147 Base-Backbone interact. energy: -3.655 local terms energy: -453.519357 where: bonds (distance) C4'-P energy: -81.937 bonds (distance) P-C4' energy: -85.043 flat angles C4'-P-C4' energy: -99.599 flat angles P-C4'-P energy: -60.296 tors. eta vs tors. theta energy: -126.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1422.846896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.846896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.846896 (E_RNA) where: Base-Base interactions energy: -1003.820 where: short stacking energy: -412.424 Base-Backbone interact. energy: -3.578 local terms energy: -415.449053 where: bonds (distance) C4'-P energy: -82.197 bonds (distance) P-C4' energy: -80.929 flat angles C4'-P-C4' energy: -86.301 flat angles P-C4'-P energy: -61.773 tors. eta vs tors. theta energy: -104.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1399.556470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.556470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.556470 (E_RNA) where: Base-Base interactions energy: -994.549 where: short stacking energy: -409.545 Base-Backbone interact. energy: -2.294 local terms energy: -402.713633 where: bonds (distance) C4'-P energy: -78.673 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -93.520 flat angles P-C4'-P energy: -48.607 tors. eta vs tors. theta energy: -102.193 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1329.292198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.292198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.292198 (E_RNA) where: Base-Base interactions energy: -941.856 where: short stacking energy: -385.796 Base-Backbone interact. energy: 3.685 local terms energy: -391.120975 where: bonds (distance) C4'-P energy: -81.929 bonds (distance) P-C4' energy: -76.056 flat angles C4'-P-C4' energy: -74.902 flat angles P-C4'-P energy: -63.605 tors. eta vs tors. theta energy: -94.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1244.082692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.082692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.082692 (E_RNA) where: Base-Base interactions energy: -861.514 where: short stacking energy: -385.009 Base-Backbone interact. energy: 4.729 local terms energy: -387.298380 where: bonds (distance) C4'-P energy: -82.195 bonds (distance) P-C4' energy: -69.986 flat angles C4'-P-C4' energy: -72.860 flat angles P-C4'-P energy: -58.658 tors. eta vs tors. theta energy: -103.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1128.041916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.041916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.041916 (E_RNA) where: Base-Base interactions energy: -766.031 where: short stacking energy: -356.145 Base-Backbone interact. energy: -0.418 local terms energy: -361.592778 where: bonds (distance) C4'-P energy: -77.741 bonds (distance) P-C4' energy: -78.659 flat angles C4'-P-C4' energy: -79.095 flat angles P-C4'-P energy: -34.357 tors. eta vs tors. theta energy: -91.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -982.106669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.106669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.106669 (E_RNA) where: Base-Base interactions energy: -633.119 where: short stacking energy: -303.687 Base-Backbone interact. energy: -0.785 local terms energy: -348.202259 where: bonds (distance) C4'-P energy: -77.081 bonds (distance) P-C4' energy: -81.206 flat angles C4'-P-C4' energy: -71.792 flat angles P-C4'-P energy: -50.743 tors. eta vs tors. theta energy: -67.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -908.730258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.730258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.730258 (E_RNA) where: Base-Base interactions energy: -597.887 where: short stacking energy: -273.940 Base-Backbone interact. energy: 3.262 local terms energy: -314.105685 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -64.266 flat angles C4'-P-C4' energy: -78.262 flat angles P-C4'-P energy: -61.520 tors. eta vs tors. theta energy: -46.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -686.016902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.016902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.016902 (E_RNA) where: Base-Base interactions energy: -424.560 where: short stacking energy: -198.425 Base-Backbone interact. energy: -1.210 local terms energy: -260.246914 where: bonds (distance) C4'-P energy: -55.518 bonds (distance) P-C4' energy: -77.462 flat angles C4'-P-C4' energy: -59.996 flat angles P-C4'-P energy: -35.867 tors. eta vs tors. theta energy: -31.405 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: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -440.926941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.926941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.926941 (E_RNA) where: Base-Base interactions energy: -196.672 where: short stacking energy: -123.400 Base-Backbone interact. energy: 1.533 local terms energy: -245.787892 where: bonds (distance) C4'-P energy: -68.208 bonds (distance) P-C4' energy: -69.717 flat angles C4'-P-C4' energy: -58.020 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1534.577744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.577744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.577744 (E_RNA) where: Base-Base interactions energy: -1078.511 where: short stacking energy: -445.058 Base-Backbone interact. energy: -3.152 local terms energy: -452.914776 where: bonds (distance) C4'-P energy: -87.949 bonds (distance) P-C4' energy: -82.561 flat angles C4'-P-C4' energy: -94.079 flat angles P-C4'-P energy: -59.061 tors. eta vs tors. theta energy: -129.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1437.217627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.217627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.217627 (E_RNA) where: Base-Base interactions energy: -1003.803 where: short stacking energy: -423.834 Base-Backbone interact. energy: -3.695 local terms energy: -429.718807 where: bonds (distance) C4'-P energy: -70.283 bonds (distance) P-C4' energy: -83.985 flat angles C4'-P-C4' energy: -96.238 flat angles P-C4'-P energy: -61.790 tors. eta vs tors. theta energy: -117.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1409.412525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.412525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.412525 (E_RNA) where: Base-Base interactions energy: -971.433 where: short stacking energy: -380.791 Base-Backbone interact. energy: -2.272 local terms energy: -435.707862 where: bonds (distance) C4'-P energy: -84.802 bonds (distance) P-C4' energy: -83.157 flat angles C4'-P-C4' energy: -92.974 flat angles P-C4'-P energy: -63.108 tors. eta vs tors. theta energy: -111.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1345.448039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.448039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.448039 (E_RNA) where: Base-Base interactions energy: -935.204 where: short stacking energy: -387.447 Base-Backbone interact. energy: -0.029 local terms energy: -410.215147 where: bonds (distance) C4'-P energy: -73.830 bonds (distance) P-C4' energy: -72.706 flat angles C4'-P-C4' energy: -92.827 flat angles P-C4'-P energy: -63.627 tors. eta vs tors. theta energy: -107.225 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: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1238.711664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.711664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.711664 (E_RNA) where: Base-Base interactions energy: -865.543 where: short stacking energy: -392.730 Base-Backbone interact. energy: -1.802 local terms energy: -371.366611 where: bonds (distance) C4'-P energy: -60.046 bonds (distance) P-C4' energy: -80.428 flat angles C4'-P-C4' energy: -86.361 flat angles P-C4'-P energy: -48.605 tors. eta vs tors. theta energy: -95.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1161.088288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.088288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.088288 (E_RNA) where: Base-Base interactions energy: -768.817 where: short stacking energy: -357.358 Base-Backbone interact. energy: 1.505 local terms energy: -393.775421 where: bonds (distance) C4'-P energy: -59.964 bonds (distance) P-C4' energy: -73.528 flat angles C4'-P-C4' energy: -96.757 flat angles P-C4'-P energy: -58.362 tors. eta vs tors. theta energy: -105.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -956.519590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.519590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.519590 (E_RNA) where: Base-Base interactions energy: -629.555 where: short stacking energy: -293.595 Base-Backbone interact. energy: 0.259 local terms energy: -327.223583 where: bonds (distance) C4'-P energy: -67.854 bonds (distance) P-C4' energy: -74.631 flat angles C4'-P-C4' energy: -62.083 flat angles P-C4'-P energy: -56.109 tors. eta vs tors. theta energy: -66.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -916.674639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.674639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.674639 (E_RNA) where: Base-Base interactions energy: -604.210 where: short stacking energy: -257.125 Base-Backbone interact. energy: -1.533 local terms energy: -310.931840 where: bonds (distance) C4'-P energy: -68.017 bonds (distance) P-C4' energy: -68.024 flat angles C4'-P-C4' energy: -62.459 flat angles P-C4'-P energy: -47.638 tors. eta vs tors. theta energy: -64.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -725.615164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.615164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.615164 (E_RNA) where: Base-Base interactions energy: -434.265 where: short stacking energy: -213.864 Base-Backbone interact. energy: -0.546 local terms energy: -290.803617 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -76.167 flat angles C4'-P-C4' energy: -63.897 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -36.012 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: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -462.020682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.020682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.020682 (E_RNA) where: Base-Base interactions energy: -239.767 where: short stacking energy: -140.791 Base-Backbone interact. energy: 1.701 local terms energy: -223.955356 where: bonds (distance) C4'-P energy: -58.843 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -65.035 flat angles P-C4'-P energy: -35.202 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1526.838612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.838612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.838612 (E_RNA) where: Base-Base interactions energy: -1086.990 where: short stacking energy: -453.131 Base-Backbone interact. energy: 3.729 local terms energy: -443.577921 where: bonds (distance) C4'-P energy: -83.591 bonds (distance) P-C4' energy: -89.603 flat angles C4'-P-C4' energy: -94.039 flat angles P-C4'-P energy: -47.516 tors. eta vs tors. theta energy: -128.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1452.341162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.341162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.341162 (E_RNA) where: Base-Base interactions energy: -1007.451 where: short stacking energy: -420.875 Base-Backbone interact. energy: 2.773 local terms energy: -447.662405 where: bonds (distance) C4'-P energy: -78.857 bonds (distance) P-C4' energy: -81.358 flat angles C4'-P-C4' energy: -97.318 flat angles P-C4'-P energy: -69.861 tors. eta vs tors. theta energy: -120.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1403.317999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.317999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.317999 (E_RNA) where: Base-Base interactions energy: -988.147 where: short stacking energy: -402.482 Base-Backbone interact. energy: -0.877 local terms energy: -414.293828 where: bonds (distance) C4'-P energy: -76.421 bonds (distance) P-C4' energy: -88.772 flat angles C4'-P-C4' energy: -85.310 flat angles P-C4'-P energy: -56.142 tors. eta vs tors. theta energy: -107.650 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: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1313.282649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.282649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.282649 (E_RNA) where: Base-Base interactions energy: -905.707 where: short stacking energy: -365.635 Base-Backbone interact. energy: -0.553 local terms energy: -407.022586 where: bonds (distance) C4'-P energy: -83.718 bonds (distance) P-C4' energy: -72.366 flat angles C4'-P-C4' energy: -86.920 flat angles P-C4'-P energy: -72.212 tors. eta vs tors. theta energy: -91.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1249.231798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.231798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.231798 (E_RNA) where: Base-Base interactions energy: -851.827 where: short stacking energy: -374.809 Base-Backbone interact. energy: -0.069 local terms energy: -397.336041 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -81.579 flat angles C4'-P-C4' energy: -85.910 flat angles P-C4'-P energy: -67.042 tors. eta vs tors. theta energy: -100.738 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: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1154.621884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.621884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.621884 (E_RNA) where: Base-Base interactions energy: -778.957 where: short stacking energy: -338.410 Base-Backbone interact. energy: 2.572 local terms energy: -378.237126 where: bonds (distance) C4'-P energy: -75.367 bonds (distance) P-C4' energy: -73.614 flat angles C4'-P-C4' energy: -83.748 flat angles P-C4'-P energy: -52.323 tors. eta vs tors. theta energy: -93.185 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: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -954.958017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.958017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.958017 (E_RNA) where: Base-Base interactions energy: -608.265 where: short stacking energy: -257.265 Base-Backbone interact. energy: -1.792 local terms energy: -344.901172 where: bonds (distance) C4'-P energy: -75.254 bonds (distance) P-C4' energy: -69.489 flat angles C4'-P-C4' energy: -80.172 flat angles P-C4'-P energy: -63.685 tors. eta vs tors. theta energy: -56.302 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: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -927.974241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.974241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.974241 (E_RNA) where: Base-Base interactions energy: -621.712 where: short stacking energy: -253.549 Base-Backbone interact. energy: -1.134 local terms energy: -305.128071 where: bonds (distance) C4'-P energy: -73.659 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -57.675 flat angles P-C4'-P energy: -51.536 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: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -731.283078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.283078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.283078 (E_RNA) where: Base-Base interactions energy: -447.446 where: short stacking energy: -228.721 Base-Backbone interact. energy: -1.352 local terms energy: -282.485700 where: bonds (distance) C4'-P energy: -72.774 bonds (distance) P-C4' energy: -83.498 flat angles C4'-P-C4' energy: -58.995 flat angles P-C4'-P energy: -24.161 tors. eta vs tors. theta energy: -43.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -480.704966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.704966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.704966 (E_RNA) where: Base-Base interactions energy: -236.861 where: short stacking energy: -135.613 Base-Backbone interact. energy: 3.570 local terms energy: -247.414183 where: bonds (distance) C4'-P energy: -69.292 bonds (distance) P-C4' energy: -73.623 flat angles C4'-P-C4' energy: -67.598 flat angles P-C4'-P energy: -33.825 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1532.403419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.403419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.403419 (E_RNA) where: Base-Base interactions energy: -1092.548 where: short stacking energy: -415.569 Base-Backbone interact. energy: 1.946 local terms energy: -441.801620 where: bonds (distance) C4'-P energy: -84.035 bonds (distance) P-C4' energy: -92.380 flat angles C4'-P-C4' energy: -88.994 flat angles P-C4'-P energy: -56.346 tors. eta vs tors. theta energy: -120.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1470.183251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.183251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.183251 (E_RNA) where: Base-Base interactions energy: -1019.039 where: short stacking energy: -428.700 Base-Backbone interact. energy: -3.940 local terms energy: -447.203654 where: bonds (distance) C4'-P energy: -88.211 bonds (distance) P-C4' energy: -73.370 flat angles C4'-P-C4' energy: -95.925 flat angles P-C4'-P energy: -63.332 tors. eta vs tors. theta energy: -126.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1391.524085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.524085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.524085 (E_RNA) where: Base-Base interactions energy: -974.780 where: short stacking energy: -392.170 Base-Backbone interact. energy: -3.077 local terms energy: -413.666205 where: bonds (distance) C4'-P energy: -78.660 bonds (distance) P-C4' energy: -79.544 flat angles C4'-P-C4' energy: -94.833 flat angles P-C4'-P energy: -59.117 tors. eta vs tors. theta energy: -101.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1342.471021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.471021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.471021 (E_RNA) where: Base-Base interactions energy: -930.736 where: short stacking energy: -400.201 Base-Backbone interact. energy: -1.540 local terms energy: -410.195278 where: bonds (distance) C4'-P energy: -85.015 bonds (distance) P-C4' energy: -85.164 flat angles C4'-P-C4' energy: -90.304 flat angles P-C4'-P energy: -57.611 tors. eta vs tors. theta energy: -92.102 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: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1285.424378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.424378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.424378 (E_RNA) where: Base-Base interactions energy: -903.329 where: short stacking energy: -379.489 Base-Backbone interact. energy: -1.164 local terms energy: -380.932097 where: bonds (distance) C4'-P energy: -64.496 bonds (distance) P-C4' energy: -79.146 flat angles C4'-P-C4' energy: -82.389 flat angles P-C4'-P energy: -56.525 tors. eta vs tors. theta energy: -98.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1150.209432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.209432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.209432 (E_RNA) where: Base-Base interactions energy: -760.288 where: short stacking energy: -323.954 Base-Backbone interact. energy: 0.008 local terms energy: -389.929667 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -86.092 flat angles C4'-P-C4' energy: -79.455 flat angles P-C4'-P energy: -66.127 tors. eta vs tors. theta energy: -82.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -969.465735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.465735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.465735 (E_RNA) where: Base-Base interactions energy: -629.177 where: short stacking energy: -275.783 Base-Backbone interact. energy: 0.683 local terms energy: -340.972200 where: bonds (distance) C4'-P energy: -69.653 bonds (distance) P-C4' energy: -80.424 flat angles C4'-P-C4' energy: -64.074 flat angles P-C4'-P energy: -52.264 tors. eta vs tors. theta energy: -74.557 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: 156 Temperature: 1.250000 Total energy: -895.946721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.946721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.946721 (E_RNA) where: Base-Base interactions energy: -576.053 where: short stacking energy: -264.669 Base-Backbone interact. energy: -1.513 local terms energy: -318.380256 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -72.671 flat angles C4'-P-C4' energy: -70.827 flat angles P-C4'-P energy: -48.095 tors. eta vs tors. theta energy: -59.363 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: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -757.057961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.057961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.057961 (E_RNA) where: Base-Base interactions energy: -447.019 where: short stacking energy: -222.390 Base-Backbone interact. energy: -0.089 local terms energy: -309.950359 where: bonds (distance) C4'-P energy: -80.429 bonds (distance) P-C4' energy: -60.386 flat angles C4'-P-C4' energy: -73.454 flat angles P-C4'-P energy: -42.964 tors. eta vs tors. theta energy: -52.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -375.355206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.355206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.355206 (E_RNA) where: Base-Base interactions energy: -151.901 where: short stacking energy: -107.283 Base-Backbone interact. energy: 4.212 local terms energy: -227.666555 where: bonds (distance) C4'-P energy: -67.867 bonds (distance) P-C4' energy: -57.667 flat angles C4'-P-C4' energy: -67.586 flat angles P-C4'-P energy: -41.104 tors. eta vs tors. theta energy: 6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1566.303398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.303398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.303398 (E_RNA) where: Base-Base interactions energy: -1098.316 where: short stacking energy: -445.346 Base-Backbone interact. energy: 3.781 local terms energy: -471.768434 where: bonds (distance) C4'-P energy: -83.150 bonds (distance) P-C4' energy: -94.876 flat angles C4'-P-C4' energy: -103.006 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -128.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1455.072907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.072907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.072907 (E_RNA) where: Base-Base interactions energy: -1006.700 where: short stacking energy: -415.129 Base-Backbone interact. energy: -0.016 local terms energy: -448.357686 where: bonds (distance) C4'-P energy: -82.690 bonds (distance) P-C4' energy: -94.660 flat angles C4'-P-C4' energy: -89.578 flat angles P-C4'-P energy: -62.277 tors. eta vs tors. theta energy: -119.154 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: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1409.998249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.998249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.998249 (E_RNA) where: Base-Base interactions energy: -998.328 where: short stacking energy: -422.583 Base-Backbone interact. energy: 3.118 local terms energy: -414.788293 where: bonds (distance) C4'-P energy: -67.776 bonds (distance) P-C4' energy: -82.927 flat angles C4'-P-C4' energy: -95.479 flat angles P-C4'-P energy: -57.981 tors. eta vs tors. theta energy: -110.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1322.625454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.625454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.625454 (E_RNA) where: Base-Base interactions energy: -919.737 where: short stacking energy: -365.976 Base-Backbone interact. energy: 2.678 local terms energy: -405.566693 where: bonds (distance) C4'-P energy: -71.793 bonds (distance) P-C4' energy: -87.794 flat angles C4'-P-C4' energy: -84.174 flat angles P-C4'-P energy: -59.711 tors. eta vs tors. theta energy: -102.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1319.731094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.731094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.731094 (E_RNA) where: Base-Base interactions energy: -914.941 where: short stacking energy: -393.644 Base-Backbone interact. energy: -1.577 local terms energy: -403.213409 where: bonds (distance) C4'-P energy: -75.128 bonds (distance) P-C4' energy: -78.502 flat angles C4'-P-C4' energy: -95.282 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -106.475 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: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1131.049140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.049140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.049140 (E_RNA) where: Base-Base interactions energy: -762.100 where: short stacking energy: -347.195 Base-Backbone interact. energy: -0.996 local terms energy: -367.952768 where: bonds (distance) C4'-P energy: -60.896 bonds (distance) P-C4' energy: -77.723 flat angles C4'-P-C4' energy: -77.209 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: -92.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1023.820964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.820964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.820964 (E_RNA) where: Base-Base interactions energy: -667.113 where: short stacking energy: -289.066 Base-Backbone interact. energy: -1.464 local terms energy: -355.244227 where: bonds (distance) C4'-P energy: -66.726 bonds (distance) P-C4' energy: -71.081 flat angles C4'-P-C4' energy: -87.942 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -73.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -887.963232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.963232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.963232 (E_RNA) where: Base-Base interactions energy: -564.516 where: short stacking energy: -253.008 Base-Backbone interact. energy: -0.392 local terms energy: -323.056010 where: bonds (distance) C4'-P energy: -69.954 bonds (distance) P-C4' energy: -84.313 flat angles C4'-P-C4' energy: -70.436 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: -48.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -715.514191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.514191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.514191 (E_RNA) where: Base-Base interactions energy: -451.378 where: short stacking energy: -229.663 Base-Backbone interact. energy: 0.449 local terms energy: -264.584660 where: bonds (distance) C4'-P energy: -73.106 bonds (distance) P-C4' energy: -63.553 flat angles C4'-P-C4' energy: -55.215 flat angles P-C4'-P energy: -33.192 tors. eta vs tors. theta energy: -39.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -331.642541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.642541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.642541 (E_RNA) where: Base-Base interactions energy: -134.216 where: short stacking energy: -106.870 Base-Backbone interact. energy: 0.293 local terms energy: -197.719821 where: bonds (distance) C4'-P energy: -72.063 bonds (distance) P-C4' energy: -47.964 flat angles C4'-P-C4' energy: -53.566 flat angles P-C4'-P energy: -33.698 tors. eta vs tors. theta energy: 9.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1572.937428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.937428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.937428 (E_RNA) where: Base-Base interactions energy: -1112.988 where: short stacking energy: -453.439 Base-Backbone interact. energy: -2.000 local terms energy: -457.949009 where: bonds (distance) C4'-P energy: -91.079 bonds (distance) P-C4' energy: -91.895 flat angles C4'-P-C4' energy: -97.123 flat angles P-C4'-P energy: -52.104 tors. eta vs tors. theta energy: -125.748 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: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1413.061122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.061122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.061122 (E_RNA) where: Base-Base interactions energy: -979.882 where: short stacking energy: -423.760 Base-Backbone interact. energy: -1.303 local terms energy: -431.876555 where: bonds (distance) C4'-P energy: -75.147 bonds (distance) P-C4' energy: -91.816 flat angles C4'-P-C4' energy: -93.656 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: -118.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1422.809740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.809740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.809740 (E_RNA) where: Base-Base interactions energy: -995.996 where: short stacking energy: -422.576 Base-Backbone interact. energy: -0.004 local terms energy: -426.810132 where: bonds (distance) C4'-P energy: -82.242 bonds (distance) P-C4' energy: -74.321 flat angles C4'-P-C4' energy: -96.850 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: -114.350 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: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1331.368228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.368228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.368228 (E_RNA) where: Base-Base interactions energy: -945.300 where: short stacking energy: -349.389 Base-Backbone interact. energy: 0.920 local terms energy: -386.987954 where: bonds (distance) C4'-P energy: -84.836 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -81.959 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -99.718 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: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1294.928832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.928832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.928832 (E_RNA) where: Base-Base interactions energy: -914.533 where: short stacking energy: -380.311 Base-Backbone interact. energy: -2.116 local terms energy: -378.279819 where: bonds (distance) C4'-P energy: -75.966 bonds (distance) P-C4' energy: -70.587 flat angles C4'-P-C4' energy: -81.852 flat angles P-C4'-P energy: -57.279 tors. eta vs tors. theta energy: -92.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1153.863693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.863693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.863693 (E_RNA) where: Base-Base interactions energy: -773.517 where: short stacking energy: -344.608 Base-Backbone interact. energy: -1.203 local terms energy: -379.861628 where: bonds (distance) C4'-P energy: -73.963 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -87.589 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -86.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.718 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1005.725090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.725090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.725090 (E_RNA) where: Base-Base interactions energy: -668.587 where: short stacking energy: -284.607 Base-Backbone interact. energy: -0.889 local terms energy: -336.249456 where: bonds (distance) C4'-P energy: -74.976 bonds (distance) P-C4' energy: -78.007 flat angles C4'-P-C4' energy: -65.914 flat angles P-C4'-P energy: -50.312 tors. eta vs tors. theta energy: -67.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -900.783754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.783754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.783754 (E_RNA) where: Base-Base interactions energy: -608.065 where: short stacking energy: -263.116 Base-Backbone interact. energy: 3.940 local terms energy: -296.658511 where: bonds (distance) C4'-P energy: -71.229 bonds (distance) P-C4' energy: -48.300 flat angles C4'-P-C4' energy: -77.171 flat angles P-C4'-P energy: -54.768 tors. eta vs tors. theta energy: -45.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -726.317108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.317108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.317108 (E_RNA) where: Base-Base interactions energy: -442.799 where: short stacking energy: -209.853 Base-Backbone interact. energy: 0.257 local terms energy: -283.774655 where: bonds (distance) C4'-P energy: -65.061 bonds (distance) P-C4' energy: -78.132 flat angles C4'-P-C4' energy: -59.852 flat angles P-C4'-P energy: -40.858 tors. eta vs tors. theta energy: -39.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -357.100397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.100397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.100397 (E_RNA) where: Base-Base interactions energy: -174.478 where: short stacking energy: -93.576 Base-Backbone interact. energy: 0.006 local terms energy: -182.628599 where: bonds (distance) C4'-P energy: -62.438 bonds (distance) P-C4' energy: -66.467 flat angles C4'-P-C4' energy: -60.165 flat angles P-C4'-P energy: -17.689 tors. eta vs tors. theta energy: 24.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1559.331445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.331445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.331445 (E_RNA) where: Base-Base interactions energy: -1105.472 where: short stacking energy: -439.396 Base-Backbone interact. energy: 3.965 local terms energy: -457.824806 where: bonds (distance) C4'-P energy: -89.681 bonds (distance) P-C4' energy: -86.481 flat angles C4'-P-C4' energy: -101.433 flat angles P-C4'-P energy: -51.485 tors. eta vs tors. theta energy: -128.746 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: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1425.487479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.487479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.487479 (E_RNA) where: Base-Base interactions energy: -986.452 where: short stacking energy: -430.510 Base-Backbone interact. energy: -1.752 local terms energy: -437.283231 where: bonds (distance) C4'-P energy: -77.793 bonds (distance) P-C4' energy: -89.636 flat angles C4'-P-C4' energy: -91.830 flat angles P-C4'-P energy: -64.537 tors. eta vs tors. theta energy: -113.487 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: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1396.721682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.721682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.721682 (E_RNA) where: Base-Base interactions energy: -953.504 where: short stacking energy: -424.889 Base-Backbone interact. energy: -0.542 local terms energy: -442.675415 where: bonds (distance) C4'-P energy: -83.605 bonds (distance) P-C4' energy: -87.076 flat angles C4'-P-C4' energy: -95.351 flat angles P-C4'-P energy: -57.063 tors. eta vs tors. theta energy: -119.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1322.550852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.550852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.550852 (E_RNA) where: Base-Base interactions energy: -921.175 where: short stacking energy: -373.555 Base-Backbone interact. energy: -1.455 local terms energy: -399.921241 where: bonds (distance) C4'-P energy: -77.619 bonds (distance) P-C4' energy: -78.975 flat angles C4'-P-C4' energy: -94.688 flat angles P-C4'-P energy: -63.040 tors. eta vs tors. theta energy: -85.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1262.220844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.220844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.220844 (E_RNA) where: Base-Base interactions energy: -858.061 where: short stacking energy: -385.683 Base-Backbone interact. energy: -0.843 local terms energy: -403.317424 where: bonds (distance) C4'-P energy: -78.003 bonds (distance) P-C4' energy: -73.533 flat angles C4'-P-C4' energy: -94.582 flat angles P-C4'-P energy: -52.708 tors. eta vs tors. theta energy: -104.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1155.942785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.942785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.942785 (E_RNA) where: Base-Base interactions energy: -776.536 where: short stacking energy: -332.921 Base-Backbone interact. energy: -1.337 local terms energy: -378.069888 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -88.331 flat angles C4'-P-C4' energy: -75.776 flat angles P-C4'-P energy: -53.377 tors. eta vs tors. theta energy: -88.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1027.028602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.028602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.028602 (E_RNA) where: Base-Base interactions energy: -693.393 where: short stacking energy: -303.065 Base-Backbone interact. energy: -1.592 local terms energy: -332.043003 where: bonds (distance) C4'-P energy: -65.525 bonds (distance) P-C4' energy: -77.963 flat angles C4'-P-C4' energy: -69.230 flat angles P-C4'-P energy: -48.132 tors. eta vs tors. theta energy: -71.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -844.548999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.548999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.548999 (E_RNA) where: Base-Base interactions energy: -569.841 where: short stacking energy: -247.967 Base-Backbone interact. energy: -0.655 local terms energy: -274.053025 where: bonds (distance) C4'-P energy: -63.938 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -73.220 flat angles P-C4'-P energy: -26.141 tors. eta vs tors. theta energy: -50.264 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: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -699.355749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.355749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.355749 (E_RNA) where: Base-Base interactions energy: -415.793 where: short stacking energy: -194.889 Base-Backbone interact. energy: -1.068 local terms energy: -282.494957 where: bonds (distance) C4'-P energy: -61.839 bonds (distance) P-C4' energy: -74.473 flat angles C4'-P-C4' energy: -70.373 flat angles P-C4'-P energy: -38.722 tors. eta vs tors. theta energy: -37.088 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: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -472.249696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.249696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.249696 (E_RNA) where: Base-Base interactions energy: -247.671 where: short stacking energy: -125.725 Base-Backbone interact. energy: 0.661 local terms energy: -225.240018 where: bonds (distance) C4'-P energy: -70.012 bonds (distance) P-C4' energy: -70.247 flat angles C4'-P-C4' energy: -64.628 flat angles P-C4'-P energy: -35.780 tors. eta vs tors. theta energy: 15.427 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: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1551.992134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.992134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.992134 (E_RNA) where: Base-Base interactions energy: -1090.682 where: short stacking energy: -439.080 Base-Backbone interact. energy: 1.724 local terms energy: -463.034185 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -83.985 flat angles C4'-P-C4' energy: -96.017 flat angles P-C4'-P energy: -60.347 tors. eta vs tors. theta energy: -128.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1422.405782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.405782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.405782 (E_RNA) where: Base-Base interactions energy: -994.668 where: short stacking energy: -408.646 Base-Backbone interact. energy: -1.311 local terms energy: -426.425984 where: bonds (distance) C4'-P energy: -76.153 bonds (distance) P-C4' energy: -92.973 flat angles C4'-P-C4' energy: -93.602 flat angles P-C4'-P energy: -60.687 tors. eta vs tors. theta energy: -103.011 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: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1395.741200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.741200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.741200 (E_RNA) where: Base-Base interactions energy: -982.677 where: short stacking energy: -414.993 Base-Backbone interact. energy: -2.464 local terms energy: -410.600781 where: bonds (distance) C4'-P energy: -71.300 bonds (distance) P-C4' energy: -87.475 flat angles C4'-P-C4' energy: -93.536 flat angles P-C4'-P energy: -46.437 tors. eta vs tors. theta energy: -111.852 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: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1345.860684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.860684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.860684 (E_RNA) where: Base-Base interactions energy: -941.885 where: short stacking energy: -380.478 Base-Backbone interact. energy: -0.318 local terms energy: -403.657719 where: bonds (distance) C4'-P energy: -76.696 bonds (distance) P-C4' energy: -73.481 flat angles C4'-P-C4' energy: -86.593 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -105.773 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1273.420753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.420753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.420753 (E_RNA) where: Base-Base interactions energy: -886.466 where: short stacking energy: -393.723 Base-Backbone interact. energy: 2.066 local terms energy: -389.020726 where: bonds (distance) C4'-P energy: -77.277 bonds (distance) P-C4' energy: -70.707 flat angles C4'-P-C4' energy: -86.518 flat angles P-C4'-P energy: -55.260 tors. eta vs tors. theta energy: -99.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1160.328057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.328057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.328057 (E_RNA) where: Base-Base interactions energy: -777.412 where: short stacking energy: -332.090 Base-Backbone interact. energy: 0.509 local terms energy: -383.425278 where: bonds (distance) C4'-P energy: -69.593 bonds (distance) P-C4' energy: -85.238 flat angles C4'-P-C4' energy: -85.992 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: -87.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1034.372420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.372420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.372420 (E_RNA) where: Base-Base interactions energy: -695.532 where: short stacking energy: -286.726 Base-Backbone interact. energy: -2.890 local terms energy: -335.950315 where: bonds (distance) C4'-P energy: -77.984 bonds (distance) P-C4' energy: -81.640 flat angles C4'-P-C4' energy: -81.851 flat angles P-C4'-P energy: -30.184 tors. eta vs tors. theta energy: -64.291 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: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -820.693973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.693973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.693973 (E_RNA) where: Base-Base interactions energy: -530.761 where: short stacking energy: -226.862 Base-Backbone interact. energy: 1.591 local terms energy: -291.524121 where: bonds (distance) C4'-P energy: -55.834 bonds (distance) P-C4' energy: -78.240 flat angles C4'-P-C4' energy: -75.990 flat angles P-C4'-P energy: -34.348 tors. eta vs tors. theta energy: -47.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -768.306814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.306814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.306814 (E_RNA) where: Base-Base interactions energy: -436.572 where: short stacking energy: -255.265 Base-Backbone interact. energy: 0.483 local terms energy: -332.217780 where: bonds (distance) C4'-P energy: -72.409 bonds (distance) P-C4' energy: -75.449 flat angles C4'-P-C4' energy: -76.656 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: -66.053 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: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -520.393123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.393123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.393123 (E_RNA) where: Base-Base interactions energy: -313.356 where: short stacking energy: -146.096 Base-Backbone interact. energy: 7.620 local terms energy: -214.656243 where: bonds (distance) C4'-P energy: -63.741 bonds (distance) P-C4' energy: -51.264 flat angles C4'-P-C4' energy: -55.381 flat angles P-C4'-P energy: -47.564 tors. eta vs tors. theta energy: 3.294 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: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1553.507149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.507149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.507149 (E_RNA) where: Base-Base interactions energy: -1101.816 where: short stacking energy: -437.070 Base-Backbone interact. energy: 3.968 local terms energy: -455.658986 where: bonds (distance) C4'-P energy: -85.723 bonds (distance) P-C4' energy: -85.703 flat angles C4'-P-C4' energy: -97.989 flat angles P-C4'-P energy: -59.473 tors. eta vs tors. theta energy: -126.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1434.675082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.675082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.675082 (E_RNA) where: Base-Base interactions energy: -1001.321 where: short stacking energy: -423.224 Base-Backbone interact. energy: -1.219 local terms energy: -432.135187 where: bonds (distance) C4'-P energy: -79.257 bonds (distance) P-C4' energy: -69.957 flat angles C4'-P-C4' energy: -94.493 flat angles P-C4'-P energy: -66.363 tors. eta vs tors. theta energy: -122.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1431.445643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.445643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.445643 (E_RNA) where: Base-Base interactions energy: -1014.122 where: short stacking energy: -437.427 Base-Backbone interact. energy: 0.826 local terms energy: -418.149821 where: bonds (distance) C4'-P energy: -78.007 bonds (distance) P-C4' energy: -84.909 flat angles C4'-P-C4' energy: -90.446 flat angles P-C4'-P energy: -50.043 tors. eta vs tors. theta energy: -114.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1350.395287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.395287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.395287 (E_RNA) where: Base-Base interactions energy: -931.642 where: short stacking energy: -380.547 Base-Backbone interact. energy: -1.678 local terms energy: -417.075091 where: bonds (distance) C4'-P energy: -79.981 bonds (distance) P-C4' energy: -85.508 flat angles C4'-P-C4' energy: -87.618 flat angles P-C4'-P energy: -60.678 tors. eta vs tors. theta energy: -103.290 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: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1262.551125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.551125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.551125 (E_RNA) where: Base-Base interactions energy: -844.297 where: short stacking energy: -374.013 Base-Backbone interact. energy: -4.214 local terms energy: -414.039841 where: bonds (distance) C4'-P energy: -75.105 bonds (distance) P-C4' energy: -86.211 flat angles C4'-P-C4' energy: -96.085 flat angles P-C4'-P energy: -59.330 tors. eta vs tors. theta energy: -97.309 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: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1185.077540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.077540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.077540 (E_RNA) where: Base-Base interactions energy: -795.418 where: short stacking energy: -351.990 Base-Backbone interact. energy: -1.062 local terms energy: -388.597643 where: bonds (distance) C4'-P energy: -82.154 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -82.192 flat angles P-C4'-P energy: -54.198 tors. eta vs tors. theta energy: -97.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1040.266748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.266748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.266748 (E_RNA) where: Base-Base interactions energy: -714.149 where: short stacking energy: -297.002 Base-Backbone interact. energy: -3.158 local terms energy: -322.960072 where: bonds (distance) C4'-P energy: -79.001 bonds (distance) P-C4' energy: -72.513 flat angles C4'-P-C4' energy: -62.649 flat angles P-C4'-P energy: -42.152 tors. eta vs tors. theta energy: -66.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -899.278234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.278234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.278234 (E_RNA) where: Base-Base interactions energy: -589.169 where: short stacking energy: -228.034 Base-Backbone interact. energy: -1.871 local terms energy: -308.237678 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -85.929 flat angles C4'-P-C4' energy: -66.583 flat angles P-C4'-P energy: -50.783 tors. eta vs tors. theta energy: -47.928 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: 9, replica: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -704.594290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.594290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.594290 (E_RNA) where: Base-Base interactions energy: -433.023 where: short stacking energy: -204.774 Base-Backbone interact. energy: -2.338 local terms energy: -269.232874 where: bonds (distance) C4'-P energy: -56.557 bonds (distance) P-C4' energy: -83.524 flat angles C4'-P-C4' energy: -59.745 flat angles P-C4'-P energy: -40.617 tors. eta vs tors. theta energy: -28.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -492.890127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.890127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.890127 (E_RNA) where: Base-Base interactions energy: -244.977 where: short stacking energy: -142.918 Base-Backbone interact. energy: 0.750 local terms energy: -248.662276 where: bonds (distance) C4'-P energy: -77.440 bonds (distance) P-C4' energy: -78.630 flat angles C4'-P-C4' energy: -48.822 flat angles P-C4'-P energy: -37.876 tors. eta vs tors. theta energy: -5.894 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: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1548.891818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.891818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.891818 (E_RNA) where: Base-Base interactions energy: -1096.525 where: short stacking energy: -451.685 Base-Backbone interact. energy: -0.203 local terms energy: -452.164288 where: bonds (distance) C4'-P energy: -87.235 bonds (distance) P-C4' energy: -94.844 flat angles C4'-P-C4' energy: -99.401 flat angles P-C4'-P energy: -48.356 tors. eta vs tors. theta energy: -122.328 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: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1416.757137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.757137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.757137 (E_RNA) where: Base-Base interactions energy: -978.780 where: short stacking energy: -418.042 Base-Backbone interact. energy: -2.139 local terms energy: -435.838072 where: bonds (distance) C4'-P energy: -73.917 bonds (distance) P-C4' energy: -85.357 flat angles C4'-P-C4' energy: -91.411 flat angles P-C4'-P energy: -62.036 tors. eta vs tors. theta energy: -123.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1404.641726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.641726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.641726 (E_RNA) where: Base-Base interactions energy: -999.774 where: short stacking energy: -414.934 Base-Backbone interact. energy: -0.619 local terms energy: -404.248835 where: bonds (distance) C4'-P energy: -83.081 bonds (distance) P-C4' energy: -68.856 flat angles C4'-P-C4' energy: -81.869 flat angles P-C4'-P energy: -61.898 tors. eta vs tors. theta energy: -108.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1348.240929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.240929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.240929 (E_RNA) where: Base-Base interactions energy: -925.218 where: short stacking energy: -389.005 Base-Backbone interact. energy: -3.538 local terms energy: -419.485246 where: bonds (distance) C4'-P energy: -81.279 bonds (distance) P-C4' energy: -83.327 flat angles C4'-P-C4' energy: -90.150 flat angles P-C4'-P energy: -59.170 tors. eta vs tors. theta energy: -105.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1269.054590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.054590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.054590 (E_RNA) where: Base-Base interactions energy: -873.085 where: short stacking energy: -384.364 Base-Backbone interact. energy: -3.292 local terms energy: -392.677701 where: bonds (distance) C4'-P energy: -79.533 bonds (distance) P-C4' energy: -69.356 flat angles C4'-P-C4' energy: -81.129 flat angles P-C4'-P energy: -56.200 tors. eta vs tors. theta energy: -106.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1151.470428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.470428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.470428 (E_RNA) where: Base-Base interactions energy: -786.900 where: short stacking energy: -326.728 Base-Backbone interact. energy: 0.364 local terms energy: -364.934912 where: bonds (distance) C4'-P energy: -74.987 bonds (distance) P-C4' energy: -73.082 flat angles C4'-P-C4' energy: -80.477 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -84.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1019.382722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.382722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.382722 (E_RNA) where: Base-Base interactions energy: -682.314 where: short stacking energy: -282.739 Base-Backbone interact. energy: -1.638 local terms energy: -335.430331 where: bonds (distance) C4'-P energy: -67.440 bonds (distance) P-C4' energy: -81.612 flat angles C4'-P-C4' energy: -81.721 flat angles P-C4'-P energy: -52.016 tors. eta vs tors. theta energy: -52.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -887.087960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.087960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.087960 (E_RNA) where: Base-Base interactions energy: -558.078 where: short stacking energy: -251.924 Base-Backbone interact. energy: 0.174 local terms energy: -333.815431 where: bonds (distance) C4'-P energy: -69.133 bonds (distance) P-C4' energy: -81.793 flat angles C4'-P-C4' energy: -79.066 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: -56.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 4.632 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -767.399463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.399463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.399463 (E_RNA) where: Base-Base interactions energy: -480.051 where: short stacking energy: -232.119 Base-Backbone interact. energy: -2.021 local terms energy: -285.327835 where: bonds (distance) C4'-P energy: -69.887 bonds (distance) P-C4' energy: -55.698 flat angles C4'-P-C4' energy: -69.779 flat angles P-C4'-P energy: -51.825 tors. eta vs tors. theta energy: -38.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -534.799917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.799917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.799917 (E_RNA) where: Base-Base interactions energy: -318.870 where: short stacking energy: -162.002 Base-Backbone interact. energy: 0.793 local terms energy: -216.722629 where: bonds (distance) C4'-P energy: -60.294 bonds (distance) P-C4' energy: -62.818 flat angles C4'-P-C4' energy: -61.510 flat angles P-C4'-P energy: -37.911 tors. eta vs tors. theta energy: 5.810 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: 1, replica: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1533.501048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.501048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.501048 (E_RNA) where: Base-Base interactions energy: -1114.247 where: short stacking energy: -433.721 Base-Backbone interact. energy: 6.000 local terms energy: -425.253144 where: bonds (distance) C4'-P energy: -84.666 bonds (distance) P-C4' energy: -71.700 flat angles C4'-P-C4' energy: -85.596 flat angles P-C4'-P energy: -59.893 tors. eta vs tors. theta energy: -123.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1411.884041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.884041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.884041 (E_RNA) where: Base-Base interactions energy: -968.445 where: short stacking energy: -406.893 Base-Backbone interact. energy: 0.535 local terms energy: -443.974150 where: bonds (distance) C4'-P energy: -77.161 bonds (distance) P-C4' energy: -84.278 flat angles C4'-P-C4' energy: -99.463 flat angles P-C4'-P energy: -63.656 tors. eta vs tors. theta energy: -119.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1394.946262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.946262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.946262 (E_RNA) where: Base-Base interactions energy: -977.809 where: short stacking energy: -416.235 Base-Backbone interact. energy: -0.902 local terms energy: -416.234486 where: bonds (distance) C4'-P energy: -78.616 bonds (distance) P-C4' energy: -84.743 flat angles C4'-P-C4' energy: -92.095 flat angles P-C4'-P energy: -53.094 tors. eta vs tors. theta energy: -107.687 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: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1316.901747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.901747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.901747 (E_RNA) where: Base-Base interactions energy: -928.406 where: short stacking energy: -365.345 Base-Backbone interact. energy: -0.510 local terms energy: -387.985981 where: bonds (distance) C4'-P energy: -73.862 bonds (distance) P-C4' energy: -69.644 flat angles C4'-P-C4' energy: -96.664 flat angles P-C4'-P energy: -59.104 tors. eta vs tors. theta energy: -88.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1289.501252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.501252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.501252 (E_RNA) where: Base-Base interactions energy: -880.027 where: short stacking energy: -370.544 Base-Backbone interact. energy: -0.137 local terms energy: -409.338065 where: bonds (distance) C4'-P energy: -74.577 bonds (distance) P-C4' energy: -79.443 flat angles C4'-P-C4' energy: -83.259 flat angles P-C4'-P energy: -72.580 tors. eta vs tors. theta energy: -99.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1155.108855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.108855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.108855 (E_RNA) where: Base-Base interactions energy: -770.144 where: short stacking energy: -332.684 Base-Backbone interact. energy: 2.697 local terms energy: -387.661744 where: bonds (distance) C4'-P energy: -78.006 bonds (distance) P-C4' energy: -77.217 flat angles C4'-P-C4' energy: -79.576 flat angles P-C4'-P energy: -59.274 tors. eta vs tors. theta energy: -93.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1008.236511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.236511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.236511 (E_RNA) where: Base-Base interactions energy: -683.987 where: short stacking energy: -279.012 Base-Backbone interact. energy: 0.220 local terms energy: -324.469023 where: bonds (distance) C4'-P energy: -63.689 bonds (distance) P-C4' energy: -68.176 flat angles C4'-P-C4' energy: -82.248 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -67.010 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: 163 Temperature: 1.250000 Total energy: -883.353492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.353492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.353492 (E_RNA) where: Base-Base interactions energy: -598.869 where: short stacking energy: -252.726 Base-Backbone interact. energy: 4.175 local terms energy: -288.660076 where: bonds (distance) C4'-P energy: -69.586 bonds (distance) P-C4' energy: -62.999 flat angles C4'-P-C4' energy: -66.723 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -38.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -747.631932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.631932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.631932 (E_RNA) where: Base-Base interactions energy: -451.183 where: short stacking energy: -233.353 Base-Backbone interact. energy: -1.677 local terms energy: -294.771860 where: bonds (distance) C4'-P energy: -63.993 bonds (distance) P-C4' energy: -71.889 flat angles C4'-P-C4' energy: -71.176 flat angles P-C4'-P energy: -42.947 tors. eta vs tors. theta energy: -44.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -568.664908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.664908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.664908 (E_RNA) where: Base-Base interactions energy: -294.199 where: short stacking energy: -129.261 Base-Backbone interact. energy: -1.293 local terms energy: -273.173011 where: bonds (distance) C4'-P energy: -84.012 bonds (distance) P-C4' energy: -70.496 flat angles C4'-P-C4' energy: -68.659 flat angles P-C4'-P energy: -40.882 tors. eta vs tors. theta energy: -9.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1525.971286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.971286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.971286 (E_RNA) where: Base-Base interactions energy: -1095.096 where: short stacking energy: -414.353 Base-Backbone interact. energy: 6.200 local terms energy: -437.075349 where: bonds (distance) C4'-P energy: -89.589 bonds (distance) P-C4' energy: -82.791 flat angles C4'-P-C4' energy: -86.430 flat angles P-C4'-P energy: -61.921 tors. eta vs tors. theta energy: -116.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1436.207548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.207548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.207548 (E_RNA) where: Base-Base interactions energy: -997.664 where: short stacking energy: -422.239 Base-Backbone interact. energy: -0.259 local terms energy: -438.284538 where: bonds (distance) C4'-P energy: -75.030 bonds (distance) P-C4' energy: -81.832 flat angles C4'-P-C4' energy: -93.473 flat angles P-C4'-P energy: -62.328 tors. eta vs tors. theta energy: -125.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1413.748776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.748776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.748776 (E_RNA) where: Base-Base interactions energy: -995.947 where: short stacking energy: -422.241 Base-Backbone interact. energy: 0.922 local terms energy: -418.723827 where: bonds (distance) C4'-P energy: -68.902 bonds (distance) P-C4' energy: -80.458 flat angles C4'-P-C4' energy: -96.396 flat angles P-C4'-P energy: -61.174 tors. eta vs tors. theta energy: -111.794 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: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1296.013867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.013867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.013867 (E_RNA) where: Base-Base interactions energy: -904.601 where: short stacking energy: -375.233 Base-Backbone interact. energy: -1.689 local terms energy: -389.723045 where: bonds (distance) C4'-P energy: -79.353 bonds (distance) P-C4' energy: -70.473 flat angles C4'-P-C4' energy: -87.704 flat angles P-C4'-P energy: -56.944 tors. eta vs tors. theta energy: -95.249 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: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1298.465971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.465971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.465971 (E_RNA) where: Base-Base interactions energy: -894.507 where: short stacking energy: -389.207 Base-Backbone interact. energy: 1.266 local terms energy: -405.224649 where: bonds (distance) C4'-P energy: -68.385 bonds (distance) P-C4' energy: -88.742 flat angles C4'-P-C4' energy: -92.973 flat angles P-C4'-P energy: -52.896 tors. eta vs tors. theta energy: -102.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1126.538467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.538467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.538467 (E_RNA) where: Base-Base interactions energy: -770.094 where: short stacking energy: -317.675 Base-Backbone interact. energy: -1.533 local terms energy: -354.910915 where: bonds (distance) C4'-P energy: -68.540 bonds (distance) P-C4' energy: -75.785 flat angles C4'-P-C4' energy: -81.228 flat angles P-C4'-P energy: -54.968 tors. eta vs tors. theta energy: -74.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1030.897602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.897602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.897602 (E_RNA) where: Base-Base interactions energy: -710.710 where: short stacking energy: -315.095 Base-Backbone interact. energy: 4.694 local terms energy: -324.880828 where: bonds (distance) C4'-P energy: -67.618 bonds (distance) P-C4' energy: -72.896 flat angles C4'-P-C4' energy: -59.231 flat angles P-C4'-P energy: -48.727 tors. eta vs tors. theta energy: -76.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -875.057914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.057914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.057914 (E_RNA) where: Base-Base interactions energy: -584.579 where: short stacking energy: -228.835 Base-Backbone interact. energy: -1.427 local terms energy: -289.052468 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -70.075 flat angles C4'-P-C4' energy: -78.506 flat angles P-C4'-P energy: -42.676 tors. eta vs tors. theta energy: -36.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -750.709172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.709172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.709172 (E_RNA) where: Base-Base interactions energy: -461.049 where: short stacking energy: -222.769 Base-Backbone interact. energy: -1.241 local terms energy: -288.418932 where: bonds (distance) C4'-P energy: -48.421 bonds (distance) P-C4' energy: -73.284 flat angles C4'-P-C4' energy: -73.332 flat angles P-C4'-P energy: -37.086 tors. eta vs tors. theta energy: -56.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -552.779636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.779636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.779636 (E_RNA) where: Base-Base interactions energy: -289.894 where: short stacking energy: -156.744 Base-Backbone interact. energy: -0.537 local terms energy: -262.348358 where: bonds (distance) C4'-P energy: -72.588 bonds (distance) P-C4' energy: -82.390 flat angles C4'-P-C4' energy: -64.509 flat angles P-C4'-P energy: -28.058 tors. eta vs tors. theta energy: -14.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1521.387425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.387425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.387425 (E_RNA) where: Base-Base interactions energy: -1082.769 where: short stacking energy: -427.529 Base-Backbone interact. energy: -2.880 local terms energy: -435.738553 where: bonds (distance) C4'-P energy: -73.771 bonds (distance) P-C4' energy: -92.074 flat angles C4'-P-C4' energy: -94.932 flat angles P-C4'-P energy: -55.046 tors. eta vs tors. theta energy: -119.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1422.000512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.000512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.000512 (E_RNA) where: Base-Base interactions energy: -987.082 where: short stacking energy: -421.102 Base-Backbone interact. energy: 0.583 local terms energy: -435.501562 where: bonds (distance) C4'-P energy: -77.913 bonds (distance) P-C4' energy: -92.195 flat angles C4'-P-C4' energy: -95.178 flat angles P-C4'-P energy: -55.667 tors. eta vs tors. theta energy: -114.548 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: 10 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1419.145660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.145660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.145660 (E_RNA) where: Base-Base interactions energy: -985.658 where: short stacking energy: -424.952 Base-Backbone interact. energy: -0.209 local terms energy: -433.278396 where: bonds (distance) C4'-P energy: -71.646 bonds (distance) P-C4' energy: -85.898 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -63.916 tors. eta vs tors. theta energy: -112.587 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: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1310.767360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.767360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.767360 (E_RNA) where: Base-Base interactions energy: -909.964 where: short stacking energy: -412.348 Base-Backbone interact. energy: -3.636 local terms energy: -397.166969 where: bonds (distance) C4'-P energy: -70.661 bonds (distance) P-C4' energy: -73.203 flat angles C4'-P-C4' energy: -88.963 flat angles P-C4'-P energy: -46.431 tors. eta vs tors. theta energy: -117.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1285.496188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.496188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.496188 (E_RNA) where: Base-Base interactions energy: -903.347 where: short stacking energy: -370.638 Base-Backbone interact. energy: 4.304 local terms energy: -386.453379 where: bonds (distance) C4'-P energy: -77.266 bonds (distance) P-C4' energy: -67.332 flat angles C4'-P-C4' energy: -89.235 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: -99.147 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: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1171.796222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.796222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.796222 (E_RNA) where: Base-Base interactions energy: -791.335 where: short stacking energy: -352.796 Base-Backbone interact. energy: 3.693 local terms energy: -384.153909 where: bonds (distance) C4'-P energy: -81.037 bonds (distance) P-C4' energy: -79.900 flat angles C4'-P-C4' energy: -83.321 flat angles P-C4'-P energy: -45.152 tors. eta vs tors. theta energy: -94.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -972.753574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.753574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.753574 (E_RNA) where: Base-Base interactions energy: -643.378 where: short stacking energy: -270.780 Base-Backbone interact. energy: -0.595 local terms energy: -328.780263 where: bonds (distance) C4'-P energy: -60.859 bonds (distance) P-C4' energy: -68.626 flat angles C4'-P-C4' energy: -83.920 flat angles P-C4'-P energy: -52.101 tors. eta vs tors. theta energy: -63.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -790.176125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.176125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.176125 (E_RNA) where: Base-Base interactions energy: -494.835 where: short stacking energy: -263.735 Base-Backbone interact. energy: -0.938 local terms energy: -294.402174 where: bonds (distance) C4'-P energy: -71.430 bonds (distance) P-C4' energy: -70.941 flat angles C4'-P-C4' energy: -73.404 flat angles P-C4'-P energy: -30.308 tors. eta vs tors. theta energy: -48.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -819.444229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.444229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.444229 (E_RNA) where: Base-Base interactions energy: -543.906 where: short stacking energy: -211.621 Base-Backbone interact. energy: -1.656 local terms energy: -273.881406 where: bonds (distance) C4'-P energy: -68.386 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -61.414 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -36.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -565.827760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.827760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.827760 (E_RNA) where: Base-Base interactions energy: -340.119 where: short stacking energy: -167.357 Base-Backbone interact. energy: 0.310 local terms energy: -226.018734 where: bonds (distance) C4'-P energy: -68.616 bonds (distance) P-C4' energy: -58.772 flat angles C4'-P-C4' energy: -53.495 flat angles P-C4'-P energy: -14.341 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: 166 Temperature: 0.900000 Total energy: -1529.384595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.384595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.384595 (E_RNA) where: Base-Base interactions energy: -1104.598 where: short stacking energy: -440.009 Base-Backbone interact. energy: -2.614 local terms energy: -422.172870 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -89.364 flat angles C4'-P-C4' energy: -89.421 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: -126.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1420.707036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.707036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.707036 (E_RNA) where: Base-Base interactions energy: -988.394 where: short stacking energy: -440.757 Base-Backbone interact. energy: -1.137 local terms energy: -431.175910 where: bonds (distance) C4'-P energy: -80.536 bonds (distance) P-C4' energy: -80.722 flat angles C4'-P-C4' energy: -90.089 flat angles P-C4'-P energy: -56.435 tors. eta vs tors. theta energy: -123.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1436.993692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.993692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.993692 (E_RNA) where: Base-Base interactions energy: -1028.266 where: short stacking energy: -426.806 Base-Backbone interact. energy: -2.104 local terms energy: -406.624070 where: bonds (distance) C4'-P energy: -70.748 bonds (distance) P-C4' energy: -73.616 flat angles C4'-P-C4' energy: -92.668 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: -112.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1319.638998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.638998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.638998 (E_RNA) where: Base-Base interactions energy: -923.235 where: short stacking energy: -431.672 Base-Backbone interact. energy: -1.302 local terms energy: -395.101621 where: bonds (distance) C4'-P energy: -68.740 bonds (distance) P-C4' energy: -82.326 flat angles C4'-P-C4' energy: -77.393 flat angles P-C4'-P energy: -55.682 tors. eta vs tors. theta energy: -110.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1327.025462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.025462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.025462 (E_RNA) where: Base-Base interactions energy: -958.847 where: short stacking energy: -374.549 Base-Backbone interact. energy: 1.111 local terms energy: -369.289803 where: bonds (distance) C4'-P energy: -62.561 bonds (distance) P-C4' energy: -73.671 flat angles C4'-P-C4' energy: -83.486 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: -99.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1177.526884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.526884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.526884 (E_RNA) where: Base-Base interactions energy: -786.678 where: short stacking energy: -326.732 Base-Backbone interact. energy: 0.939 local terms energy: -391.787996 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -85.993 flat angles C4'-P-C4' energy: -83.829 flat angles P-C4'-P energy: -55.350 tors. eta vs tors. theta energy: -89.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -979.564047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.564047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.564047 (E_RNA) where: Base-Base interactions energy: -646.238 where: short stacking energy: -272.009 Base-Backbone interact. energy: -0.341 local terms energy: -332.984456 where: bonds (distance) C4'-P energy: -65.477 bonds (distance) P-C4' energy: -73.065 flat angles C4'-P-C4' energy: -70.507 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -74.031 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: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -784.746051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.746051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.746051 (E_RNA) where: Base-Base interactions energy: -477.195 where: short stacking energy: -231.262 Base-Backbone interact. energy: -1.354 local terms energy: -306.197516 where: bonds (distance) C4'-P energy: -66.432 bonds (distance) P-C4' energy: -81.475 flat angles C4'-P-C4' energy: -73.682 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -44.329 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: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -759.969319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.969319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.969319 (E_RNA) where: Base-Base interactions energy: -497.395 where: short stacking energy: -196.082 Base-Backbone interact. energy: 1.031 local terms energy: -263.604625 where: bonds (distance) C4'-P energy: -65.191 bonds (distance) P-C4' energy: -76.189 flat angles C4'-P-C4' energy: -58.647 flat angles P-C4'-P energy: -27.844 tors. eta vs tors. theta energy: -35.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -603.750282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.750282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.750282 (E_RNA) where: Base-Base interactions energy: -348.182 where: short stacking energy: -157.369 Base-Backbone interact. energy: -2.347 local terms energy: -253.221596 where: bonds (distance) C4'-P energy: -68.748 bonds (distance) P-C4' energy: -69.153 flat angles C4'-P-C4' energy: -74.288 flat angles P-C4'-P energy: -35.403 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1554.660816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.660816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.660816 (E_RNA) where: Base-Base interactions energy: -1085.629 where: short stacking energy: -435.019 Base-Backbone interact. energy: 3.693 local terms energy: -472.724548 where: bonds (distance) C4'-P energy: -89.923 bonds (distance) P-C4' energy: -92.694 flat angles C4'-P-C4' energy: -89.727 flat angles P-C4'-P energy: -64.787 tors. eta vs tors. theta energy: -135.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1429.336933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.336933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.336933 (E_RNA) where: Base-Base interactions energy: -992.615 where: short stacking energy: -427.662 Base-Backbone interact. energy: -1.840 local terms energy: -434.882567 where: bonds (distance) C4'-P energy: -85.947 bonds (distance) P-C4' energy: -78.463 flat angles C4'-P-C4' energy: -89.818 flat angles P-C4'-P energy: -65.461 tors. eta vs tors. theta energy: -115.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1411.660957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.660957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.660957 (E_RNA) where: Base-Base interactions energy: -1003.658 where: short stacking energy: -418.261 Base-Backbone interact. energy: 0.308 local terms energy: -408.310960 where: bonds (distance) C4'-P energy: -64.638 bonds (distance) P-C4' energy: -72.253 flat angles C4'-P-C4' energy: -93.057 flat angles P-C4'-P energy: -67.548 tors. eta vs tors. theta energy: -110.816 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: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1343.885214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.885214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.885214 (E_RNA) where: Base-Base interactions energy: -947.098 where: short stacking energy: -389.811 Base-Backbone interact. energy: -0.358 local terms energy: -396.428890 where: bonds (distance) C4'-P energy: -64.166 bonds (distance) P-C4' energy: -72.029 flat angles C4'-P-C4' energy: -88.471 flat angles P-C4'-P energy: -67.134 tors. eta vs tors. theta energy: -104.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1273.288133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.288133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.288133 (E_RNA) where: Base-Base interactions energy: -882.512 where: short stacking energy: -395.759 Base-Backbone interact. energy: -2.795 local terms energy: -387.980759 where: bonds (distance) C4'-P energy: -74.125 bonds (distance) P-C4' energy: -60.849 flat angles C4'-P-C4' energy: -90.401 flat angles P-C4'-P energy: -57.753 tors. eta vs tors. theta energy: -104.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1183.815922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.815922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.815922 (E_RNA) where: Base-Base interactions energy: -805.204 where: short stacking energy: -350.404 Base-Backbone interact. energy: 0.499 local terms energy: -379.110673 where: bonds (distance) C4'-P energy: -65.801 bonds (distance) P-C4' energy: -74.785 flat angles C4'-P-C4' energy: -74.340 flat angles P-C4'-P energy: -66.023 tors. eta vs tors. theta energy: -98.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -931.589727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.589727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.589727 (E_RNA) where: Base-Base interactions energy: -633.195 where: short stacking energy: -268.464 Base-Backbone interact. energy: -0.390 local terms energy: -298.004417 where: bonds (distance) C4'-P energy: -57.025 bonds (distance) P-C4' energy: -81.077 flat angles C4'-P-C4' energy: -76.594 flat angles P-C4'-P energy: -40.058 tors. eta vs tors. theta energy: -43.251 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: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -788.865022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.865022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.865022 (E_RNA) where: Base-Base interactions energy: -485.784 where: short stacking energy: -232.578 Base-Backbone interact. energy: -2.054 local terms energy: -301.026903 where: bonds (distance) C4'-P energy: -69.603 bonds (distance) P-C4' energy: -75.693 flat angles C4'-P-C4' energy: -64.260 flat angles P-C4'-P energy: -48.240 tors. eta vs tors. theta energy: -43.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -751.850350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.850350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.850350 (E_RNA) where: Base-Base interactions energy: -448.926 where: short stacking energy: -224.110 Base-Backbone interact. energy: -0.397 local terms energy: -302.527363 where: bonds (distance) C4'-P energy: -74.492 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -69.590 flat angles P-C4'-P energy: -47.118 tors. eta vs tors. theta energy: -47.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -568.351932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.351932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.351932 (E_RNA) where: Base-Base interactions energy: -323.507 where: short stacking energy: -154.872 Base-Backbone interact. energy: 6.096 local terms energy: -250.940387 where: bonds (distance) C4'-P energy: -70.784 bonds (distance) P-C4' energy: -78.519 flat angles C4'-P-C4' energy: -61.945 flat angles P-C4'-P energy: -37.349 tors. eta vs tors. theta energy: -2.343 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: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1541.142233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.142233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.142233 (E_RNA) where: Base-Base interactions energy: -1093.279 where: short stacking energy: -450.799 Base-Backbone interact. energy: 1.306 local terms energy: -449.169468 where: bonds (distance) C4'-P energy: -69.596 bonds (distance) P-C4' energy: -90.971 flat angles C4'-P-C4' energy: -97.428 flat angles P-C4'-P energy: -67.146 tors. eta vs tors. theta energy: -124.029 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: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1445.815821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.815821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.815821 (E_RNA) where: Base-Base interactions energy: -1004.062 where: short stacking energy: -444.014 Base-Backbone interact. energy: -1.911 local terms energy: -439.842618 where: bonds (distance) C4'-P energy: -77.543 bonds (distance) P-C4' energy: -91.696 flat angles C4'-P-C4' energy: -98.256 flat angles P-C4'-P energy: -51.976 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: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1391.711649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.711649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.711649 (E_RNA) where: Base-Base interactions energy: -968.448 where: short stacking energy: -401.850 Base-Backbone interact. energy: -0.775 local terms energy: -422.488803 where: bonds (distance) C4'-P energy: -79.923 bonds (distance) P-C4' energy: -77.233 flat angles C4'-P-C4' energy: -91.074 flat angles P-C4'-P energy: -63.040 tors. eta vs tors. theta energy: -111.218 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: 168 Temperature: 1.050000 Total energy: -1357.221442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.221442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.221442 (E_RNA) where: Base-Base interactions energy: -948.158 where: short stacking energy: -402.547 Base-Backbone interact. energy: -1.162 local terms energy: -407.902028 where: bonds (distance) C4'-P energy: -78.282 bonds (distance) P-C4' energy: -73.429 flat angles C4'-P-C4' energy: -90.162 flat angles P-C4'-P energy: -55.053 tors. eta vs tors. theta energy: -110.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1271.591718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.591718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.591718 (E_RNA) where: Base-Base interactions energy: -878.012 where: short stacking energy: -402.845 Base-Backbone interact. energy: -0.476 local terms energy: -393.103508 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -76.178 flat angles C4'-P-C4' energy: -78.601 flat angles P-C4'-P energy: -61.941 tors. eta vs tors. theta energy: -111.540 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: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1165.622554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.622554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.622554 (E_RNA) where: Base-Base interactions energy: -797.651 where: short stacking energy: -334.400 Base-Backbone interact. energy: -0.710 local terms energy: -367.261674 where: bonds (distance) C4'-P energy: -72.078 bonds (distance) P-C4' energy: -70.424 flat angles C4'-P-C4' energy: -77.099 flat angles P-C4'-P energy: -59.422 tors. eta vs tors. theta energy: -88.238 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: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -957.399955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.399955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.399955 (E_RNA) where: Base-Base interactions energy: -604.752 where: short stacking energy: -277.554 Base-Backbone interact. energy: 0.448 local terms energy: -353.096247 where: bonds (distance) C4'-P energy: -77.436 bonds (distance) P-C4' energy: -80.363 flat angles C4'-P-C4' energy: -92.401 flat angles P-C4'-P energy: -41.292 tors. eta vs tors. theta energy: -61.604 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: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -863.651363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.651363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.651363 (E_RNA) where: Base-Base interactions energy: -548.110 where: short stacking energy: -255.551 Base-Backbone interact. energy: -1.160 local terms energy: -314.381197 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -76.598 flat angles C4'-P-C4' energy: -69.848 flat angles P-C4'-P energy: -43.470 tors. eta vs tors. theta energy: -47.962 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: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -732.298746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.298746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.298746 (E_RNA) where: Base-Base interactions energy: -443.620 where: short stacking energy: -215.400 Base-Backbone interact. energy: -2.374 local terms energy: -286.304806 where: bonds (distance) C4'-P energy: -69.690 bonds (distance) P-C4' energy: -70.926 flat angles C4'-P-C4' energy: -73.206 flat angles P-C4'-P energy: -40.163 tors. eta vs tors. theta energy: -32.320 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: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -540.847442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.847442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.847442 (E_RNA) where: Base-Base interactions energy: -286.108 where: short stacking energy: -150.773 Base-Backbone interact. energy: 2.696 local terms energy: -257.435048 where: bonds (distance) C4'-P energy: -60.444 bonds (distance) P-C4' energy: -72.267 flat angles C4'-P-C4' energy: -66.479 flat angles P-C4'-P energy: -45.328 tors. eta vs tors. theta energy: -12.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1561.072037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.072037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.072037 (E_RNA) where: Base-Base interactions energy: -1122.639 where: short stacking energy: -448.454 Base-Backbone interact. energy: -0.969 local terms energy: -437.463572 where: bonds (distance) C4'-P energy: -78.212 bonds (distance) P-C4' energy: -87.733 flat angles C4'-P-C4' energy: -89.960 flat angles P-C4'-P energy: -52.667 tors. eta vs tors. theta energy: -128.892 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: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1459.068336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.068336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.068336 (E_RNA) where: Base-Base interactions energy: -1019.742 where: short stacking energy: -443.046 Base-Backbone interact. energy: -3.983 local terms energy: -435.343367 where: bonds (distance) C4'-P energy: -75.207 bonds (distance) P-C4' energy: -83.070 flat angles C4'-P-C4' energy: -99.209 flat angles P-C4'-P energy: -59.928 tors. eta vs tors. theta energy: -117.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1342.774298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.774298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.774298 (E_RNA) where: Base-Base interactions energy: -939.551 where: short stacking energy: -375.229 Base-Backbone interact. energy: -0.548 local terms energy: -402.674793 where: bonds (distance) C4'-P energy: -75.014 bonds (distance) P-C4' energy: -81.244 flat angles C4'-P-C4' energy: -85.572 flat angles P-C4'-P energy: -66.208 tors. eta vs tors. theta energy: -94.636 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: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1353.267098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.267098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.267098 (E_RNA) where: Base-Base interactions energy: -949.899 where: short stacking energy: -386.612 Base-Backbone interact. energy: -2.246 local terms energy: -401.122215 where: bonds (distance) C4'-P energy: -84.815 bonds (distance) P-C4' energy: -70.179 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -59.838 tors. eta vs tors. theta energy: -100.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1261.210777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.210777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.210777 (E_RNA) where: Base-Base interactions energy: -849.351 where: short stacking energy: -382.738 Base-Backbone interact. energy: -0.706 local terms energy: -411.153632 where: bonds (distance) C4'-P energy: -81.211 bonds (distance) P-C4' energy: -79.628 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -53.697 tors. eta vs tors. theta energy: -106.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1156.769369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.769369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.769369 (E_RNA) where: Base-Base interactions energy: -793.518 where: short stacking energy: -342.033 Base-Backbone interact. energy: -1.302 local terms energy: -361.949250 where: bonds (distance) C4'-P energy: -70.364 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -80.121 flat angles P-C4'-P energy: -54.719 tors. eta vs tors. theta energy: -86.982 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: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -962.620057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.620057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.620057 (E_RNA) where: Base-Base interactions energy: -640.819 where: short stacking energy: -275.224 Base-Backbone interact. energy: -3.362 local terms energy: -318.439327 where: bonds (distance) C4'-P energy: -59.869 bonds (distance) P-C4' energy: -75.024 flat angles C4'-P-C4' energy: -66.526 flat angles P-C4'-P energy: -43.913 tors. eta vs tors. theta energy: -73.107 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: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -825.465468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.465468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.465468 (E_RNA) where: Base-Base interactions energy: -516.939 where: short stacking energy: -251.494 Base-Backbone interact. energy: -0.444 local terms energy: -308.082025 where: bonds (distance) C4'-P energy: -65.254 bonds (distance) P-C4' energy: -71.334 flat angles C4'-P-C4' energy: -69.401 flat angles P-C4'-P energy: -43.831 tors. eta vs tors. theta energy: -58.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -717.886788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.886788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.886788 (E_RNA) where: Base-Base interactions energy: -431.452 where: short stacking energy: -223.211 Base-Backbone interact. energy: 2.090 local terms energy: -288.524204 where: bonds (distance) C4'-P energy: -62.342 bonds (distance) P-C4' energy: -74.533 flat angles C4'-P-C4' energy: -69.788 flat angles P-C4'-P energy: -38.549 tors. eta vs tors. theta energy: -43.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -618.235955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.235955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.235955 (E_RNA) where: Base-Base interactions energy: -371.598 where: short stacking energy: -185.757 Base-Backbone interact. energy: -0.393 local terms energy: -246.244487 where: bonds (distance) C4'-P energy: -52.034 bonds (distance) P-C4' energy: -74.309 flat angles C4'-P-C4' energy: -66.649 flat angles P-C4'-P energy: -30.134 tors. eta vs tors. theta energy: -23.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1558.422853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.422853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.422853 (E_RNA) where: Base-Base interactions energy: -1097.717 where: short stacking energy: -446.175 Base-Backbone interact. energy: -1.023 local terms energy: -459.682446 where: bonds (distance) C4'-P energy: -84.735 bonds (distance) P-C4' energy: -97.179 flat angles C4'-P-C4' energy: -95.408 flat angles P-C4'-P energy: -61.097 tors. eta vs tors. theta energy: -121.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1424.493074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.493074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.493074 (E_RNA) where: Base-Base interactions energy: -984.002 where: short stacking energy: -427.751 Base-Backbone interact. energy: -1.573 local terms energy: -438.918212 where: bonds (distance) C4'-P energy: -86.295 bonds (distance) P-C4' energy: -81.822 flat angles C4'-P-C4' energy: -92.367 flat angles P-C4'-P energy: -66.769 tors. eta vs tors. theta energy: -111.665 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: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1382.709322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.709322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.709322 (E_RNA) where: Base-Base interactions energy: -959.584 where: short stacking energy: -404.468 Base-Backbone interact. energy: -3.458 local terms energy: -419.666495 where: bonds (distance) C4'-P energy: -84.333 bonds (distance) P-C4' energy: -87.497 flat angles C4'-P-C4' energy: -92.820 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -107.071 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: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1321.183308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.183308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.183308 (E_RNA) where: Base-Base interactions energy: -922.531 where: short stacking energy: -377.701 Base-Backbone interact. energy: -0.911 local terms energy: -397.740809 where: bonds (distance) C4'-P energy: -74.681 bonds (distance) P-C4' energy: -78.512 flat angles C4'-P-C4' energy: -92.234 flat angles P-C4'-P energy: -59.892 tors. eta vs tors. theta energy: -92.421 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: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1251.962829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.962829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.962829 (E_RNA) where: Base-Base interactions energy: -855.992 where: short stacking energy: -377.451 Base-Backbone interact. energy: -3.088 local terms energy: -392.882942 where: bonds (distance) C4'-P energy: -74.691 bonds (distance) P-C4' energy: -84.975 flat angles C4'-P-C4' energy: -90.990 flat angles P-C4'-P energy: -54.154 tors. eta vs tors. theta energy: -88.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1193.089638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.089638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.089638 (E_RNA) where: Base-Base interactions energy: -817.809 where: short stacking energy: -326.613 Base-Backbone interact. energy: 0.427 local terms energy: -375.707133 where: bonds (distance) C4'-P energy: -71.326 bonds (distance) P-C4' energy: -85.922 flat angles C4'-P-C4' energy: -82.550 flat angles P-C4'-P energy: -55.426 tors. eta vs tors. theta energy: -80.483 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: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -960.469591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.469591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.469591 (E_RNA) where: Base-Base interactions energy: -642.932 where: short stacking energy: -274.773 Base-Backbone interact. energy: 1.447 local terms energy: -318.985088 where: bonds (distance) C4'-P energy: -57.227 bonds (distance) P-C4' energy: -69.930 flat angles C4'-P-C4' energy: -78.273 flat angles P-C4'-P energy: -54.476 tors. eta vs tors. theta energy: -59.079 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: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -812.871655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.871655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.871655 (E_RNA) where: Base-Base interactions energy: -528.419 where: short stacking energy: -241.841 Base-Backbone interact. energy: -0.241 local terms energy: -284.211238 where: bonds (distance) C4'-P energy: -69.859 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -63.406 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -45.144 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: 5 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -761.130677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.130677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.130677 (E_RNA) where: Base-Base interactions energy: -450.985 where: short stacking energy: -215.804 Base-Backbone interact. energy: -0.615 local terms energy: -309.531141 where: bonds (distance) C4'-P energy: -67.899 bonds (distance) P-C4' energy: -79.418 flat angles C4'-P-C4' energy: -78.862 flat angles P-C4'-P energy: -40.381 tors. eta vs tors. theta energy: -42.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -596.329497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.329497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.329497 (E_RNA) where: Base-Base interactions energy: -326.887 where: short stacking energy: -167.502 Base-Backbone interact. energy: -0.654 local terms energy: -268.789178 where: bonds (distance) C4'-P energy: -69.761 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -54.635 flat angles P-C4'-P energy: -50.178 tors. eta vs tors. theta energy: -10.439 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: 1, replica: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1573.292037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.292037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.292037 (E_RNA) where: Base-Base interactions energy: -1119.530 where: short stacking energy: -454.142 Base-Backbone interact. energy: -1.517 local terms energy: -452.244911 where: bonds (distance) C4'-P energy: -81.190 bonds (distance) P-C4' energy: -88.485 flat angles C4'-P-C4' energy: -94.869 flat angles P-C4'-P energy: -60.407 tors. eta vs tors. theta energy: -127.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1428.499177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.499177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.499177 (E_RNA) where: Base-Base interactions energy: -978.190 where: short stacking energy: -423.532 Base-Backbone interact. energy: -3.213 local terms energy: -447.096480 where: bonds (distance) C4'-P energy: -87.397 bonds (distance) P-C4' energy: -82.841 flat angles C4'-P-C4' energy: -94.257 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -118.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1365.413889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.413889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.413889 (E_RNA) where: Base-Base interactions energy: -944.263 where: short stacking energy: -413.955 Base-Backbone interact. energy: -1.278 local terms energy: -419.872918 where: bonds (distance) C4'-P energy: -75.651 bonds (distance) P-C4' energy: -88.315 flat angles C4'-P-C4' energy: -95.437 flat angles P-C4'-P energy: -58.892 tors. eta vs tors. theta energy: -101.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1278.746211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.746211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.746211 (E_RNA) where: Base-Base interactions energy: -870.344 where: short stacking energy: -384.466 Base-Backbone interact. energy: -1.260 local terms energy: -407.142411 where: bonds (distance) C4'-P energy: -82.175 bonds (distance) P-C4' energy: -78.257 flat angles C4'-P-C4' energy: -88.564 flat angles P-C4'-P energy: -64.057 tors. eta vs tors. theta energy: -94.090 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: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1288.785863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.785863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.785863 (E_RNA) where: Base-Base interactions energy: -900.538 where: short stacking energy: -377.224 Base-Backbone interact. energy: 0.252 local terms energy: -388.500538 where: bonds (distance) C4'-P energy: -75.778 bonds (distance) P-C4' energy: -65.485 flat angles C4'-P-C4' energy: -86.278 flat angles P-C4'-P energy: -60.430 tors. eta vs tors. theta energy: -100.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1203.664223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.664223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.664223 (E_RNA) where: Base-Base interactions energy: -834.108 where: short stacking energy: -351.372 Base-Backbone interact. energy: -0.929 local terms energy: -368.627695 where: bonds (distance) C4'-P energy: -78.330 bonds (distance) P-C4' energy: -78.883 flat angles C4'-P-C4' energy: -82.752 flat angles P-C4'-P energy: -43.750 tors. eta vs tors. theta energy: -84.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1013.220426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.220426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.220426 (E_RNA) where: Base-Base interactions energy: -679.779 where: short stacking energy: -279.130 Base-Backbone interact. energy: -3.420 local terms energy: -330.021645 where: bonds (distance) C4'-P energy: -65.066 bonds (distance) P-C4' energy: -79.267 flat angles C4'-P-C4' energy: -68.512 flat angles P-C4'-P energy: -52.648 tors. eta vs tors. theta energy: -64.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -825.774426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.774426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.774426 (E_RNA) where: Base-Base interactions energy: -504.857 where: short stacking energy: -247.012 Base-Backbone interact. energy: -0.370 local terms energy: -320.547725 where: bonds (distance) C4'-P energy: -73.325 bonds (distance) P-C4' energy: -71.024 flat angles C4'-P-C4' energy: -81.444 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -52.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -744.159044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.159044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.159044 (E_RNA) where: Base-Base interactions energy: -462.055 where: short stacking energy: -221.903 Base-Backbone interact. energy: -2.033 local terms energy: -280.070392 where: bonds (distance) C4'-P energy: -74.441 bonds (distance) P-C4' energy: -63.770 flat angles C4'-P-C4' energy: -68.008 flat angles P-C4'-P energy: -42.031 tors. eta vs tors. theta energy: -31.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -572.115281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.115281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.115281 (E_RNA) where: Base-Base interactions energy: -339.530 where: short stacking energy: -163.851 Base-Backbone interact. energy: -0.475 local terms energy: -232.110594 where: bonds (distance) C4'-P energy: -70.317 bonds (distance) P-C4' energy: -65.190 flat angles C4'-P-C4' energy: -50.291 flat angles P-C4'-P energy: -40.271 tors. eta vs tors. theta energy: -6.042 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: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1552.434407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.434407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.434407 (E_RNA) where: Base-Base interactions energy: -1104.739 where: short stacking energy: -433.350 Base-Backbone interact. energy: 8.532 local terms energy: -456.227117 where: bonds (distance) C4'-P energy: -93.176 bonds (distance) P-C4' energy: -86.825 flat angles C4'-P-C4' energy: -94.400 flat angles P-C4'-P energy: -61.461 tors. eta vs tors. theta energy: -120.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1440.050359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.050359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.050359 (E_RNA) where: Base-Base interactions energy: -995.852 where: short stacking energy: -417.931 Base-Backbone interact. energy: -2.241 local terms energy: -441.957352 where: bonds (distance) C4'-P energy: -85.852 bonds (distance) P-C4' energy: -88.370 flat angles C4'-P-C4' energy: -95.827 flat angles P-C4'-P energy: -57.472 tors. eta vs tors. theta energy: -114.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1374.749059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.749059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.749059 (E_RNA) where: Base-Base interactions energy: -939.044 where: short stacking energy: -389.295 Base-Backbone interact. energy: -2.515 local terms energy: -433.189994 where: bonds (distance) C4'-P energy: -74.351 bonds (distance) P-C4' energy: -91.291 flat angles C4'-P-C4' energy: -87.487 flat angles P-C4'-P energy: -65.921 tors. eta vs tors. theta energy: -114.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1298.891089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.891089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.891089 (E_RNA) where: Base-Base interactions energy: -893.959 where: short stacking energy: -408.725 Base-Backbone interact. energy: -0.458 local terms energy: -404.473382 where: bonds (distance) C4'-P energy: -71.063 bonds (distance) P-C4' energy: -84.198 flat angles C4'-P-C4' energy: -93.171 flat angles P-C4'-P energy: -43.688 tors. eta vs tors. theta energy: -112.353 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: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1284.996996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.996996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.996996 (E_RNA) where: Base-Base interactions energy: -881.868 where: short stacking energy: -379.579 Base-Backbone interact. energy: -3.397 local terms energy: -399.731778 where: bonds (distance) C4'-P energy: -74.629 bonds (distance) P-C4' energy: -87.016 flat angles C4'-P-C4' energy: -88.883 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -94.552 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: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1170.258087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.258087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.258087 (E_RNA) where: Base-Base interactions energy: -786.319 where: short stacking energy: -351.949 Base-Backbone interact. energy: -0.880 local terms energy: -383.059300 where: bonds (distance) C4'-P energy: -68.798 bonds (distance) P-C4' energy: -82.843 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -50.517 tors. eta vs tors. theta energy: -87.643 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: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -927.036047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.036047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.036047 (E_RNA) where: Base-Base interactions energy: -602.972 where: short stacking energy: -288.763 Base-Backbone interact. energy: 0.283 local terms energy: -324.346666 where: bonds (distance) C4'-P energy: -63.067 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -85.158 flat angles P-C4'-P energy: -42.139 tors. eta vs tors. theta energy: -64.308 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: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -968.916362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.916362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.916362 (E_RNA) where: Base-Base interactions energy: -631.979 where: short stacking energy: -272.929 Base-Backbone interact. energy: -2.330 local terms energy: -334.607312 where: bonds (distance) C4'-P energy: -76.108 bonds (distance) P-C4' energy: -72.176 flat angles C4'-P-C4' energy: -77.780 flat angles P-C4'-P energy: -52.094 tors. eta vs tors. theta energy: -56.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -669.053304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.053304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.053304 (E_RNA) where: Base-Base interactions energy: -402.665 where: short stacking energy: -214.173 Base-Backbone interact. energy: -0.775 local terms energy: -265.612874 where: bonds (distance) C4'-P energy: -77.828 bonds (distance) P-C4' energy: -77.609 flat angles C4'-P-C4' energy: -42.339 flat angles P-C4'-P energy: -36.191 tors. eta vs tors. theta energy: -31.646 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: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -505.604238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.604238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.604238 (E_RNA) where: Base-Base interactions energy: -268.764 where: short stacking energy: -141.183 Base-Backbone interact. energy: 1.810 local terms energy: -238.650783 where: bonds (distance) C4'-P energy: -58.009 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -65.557 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: 3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1581.187939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.187939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.187939 (E_RNA) where: Base-Base interactions energy: -1140.173 where: short stacking energy: -448.820 Base-Backbone interact. energy: -0.422 local terms energy: -440.592289 where: bonds (distance) C4'-P energy: -80.128 bonds (distance) P-C4' energy: -77.535 flat angles C4'-P-C4' energy: -99.861 flat angles P-C4'-P energy: -54.271 tors. eta vs tors. theta energy: -128.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1462.030917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.030917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.030917 (E_RNA) where: Base-Base interactions energy: -1014.901 where: short stacking energy: -436.838 Base-Backbone interact. energy: -0.902 local terms energy: -446.228596 where: bonds (distance) C4'-P energy: -90.187 bonds (distance) P-C4' energy: -85.138 flat angles C4'-P-C4' energy: -94.318 flat angles P-C4'-P energy: -57.664 tors. eta vs tors. theta energy: -118.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1402.102660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.102660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.102660 (E_RNA) where: Base-Base interactions energy: -990.148 where: short stacking energy: -415.881 Base-Backbone interact. energy: -0.399 local terms energy: -411.555758 where: bonds (distance) C4'-P energy: -76.377 bonds (distance) P-C4' energy: -79.399 flat angles C4'-P-C4' energy: -86.665 flat angles P-C4'-P energy: -61.706 tors. eta vs tors. theta energy: -107.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1302.333564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.333564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.333564 (E_RNA) where: Base-Base interactions energy: -909.881 where: short stacking energy: -357.319 Base-Backbone interact. energy: -1.289 local terms energy: -391.163565 where: bonds (distance) C4'-P energy: -83.812 bonds (distance) P-C4' energy: -75.326 flat angles C4'-P-C4' energy: -88.829 flat angles P-C4'-P energy: -51.563 tors. eta vs tors. theta energy: -91.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1299.513117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.513117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.513117 (E_RNA) where: Base-Base interactions energy: -886.240 where: short stacking energy: -387.409 Base-Backbone interact. energy: -3.027 local terms energy: -410.246028 where: bonds (distance) C4'-P energy: -64.156 bonds (distance) P-C4' energy: -81.978 flat angles C4'-P-C4' energy: -95.724 flat angles P-C4'-P energy: -59.077 tors. eta vs tors. theta energy: -109.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1171.810184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.810184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.810184 (E_RNA) where: Base-Base interactions energy: -817.837 where: short stacking energy: -362.984 Base-Backbone interact. energy: -0.220 local terms energy: -353.752906 where: bonds (distance) C4'-P energy: -64.567 bonds (distance) P-C4' energy: -71.277 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -82.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -861.390224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.390224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.390224 (E_RNA) where: Base-Base interactions energy: -551.540 where: short stacking energy: -262.695 Base-Backbone interact. energy: -1.549 local terms energy: -308.301113 where: bonds (distance) C4'-P energy: -68.474 bonds (distance) P-C4' energy: -74.900 flat angles C4'-P-C4' energy: -75.986 flat angles P-C4'-P energy: -34.740 tors. eta vs tors. theta energy: -54.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1013.607006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.607006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.607006 (E_RNA) where: Base-Base interactions energy: -679.795 where: short stacking energy: -289.330 Base-Backbone interact. energy: -1.594 local terms energy: -332.218015 where: bonds (distance) C4'-P energy: -62.908 bonds (distance) P-C4' energy: -78.434 flat angles C4'-P-C4' energy: -74.555 flat angles P-C4'-P energy: -52.667 tors. eta vs tors. theta energy: -63.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -663.842653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.842653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.842653 (E_RNA) where: Base-Base interactions energy: -394.949 where: short stacking energy: -193.596 Base-Backbone interact. energy: 5.404 local terms energy: -274.297579 where: bonds (distance) C4'-P energy: -68.689 bonds (distance) P-C4' energy: -70.092 flat angles C4'-P-C4' energy: -67.189 flat angles P-C4'-P energy: -40.138 tors. eta vs tors. theta energy: -28.189 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: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -620.193493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.193493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.193493 (E_RNA) where: Base-Base interactions energy: -365.048 where: short stacking energy: -178.476 Base-Backbone interact. energy: 1.025 local terms energy: -256.170841 where: bonds (distance) C4'-P energy: -75.759 bonds (distance) P-C4' energy: -58.505 flat angles C4'-P-C4' energy: -59.661 flat angles P-C4'-P energy: -39.059 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: 1, replica: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1567.488153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.488153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.488153 (E_RNA) where: Base-Base interactions energy: -1110.013 where: short stacking energy: -415.597 Base-Backbone interact. energy: -0.440 local terms energy: -457.034850 where: bonds (distance) C4'-P energy: -83.078 bonds (distance) P-C4' energy: -79.580 flat angles C4'-P-C4' energy: -99.682 flat angles P-C4'-P energy: -65.501 tors. eta vs tors. theta energy: -129.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1428.801997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.801997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.801997 (E_RNA) where: Base-Base interactions energy: -1009.832 where: short stacking energy: -425.878 Base-Backbone interact. energy: -2.441 local terms energy: -416.528984 where: bonds (distance) C4'-P energy: -73.973 bonds (distance) P-C4' energy: -84.562 flat angles C4'-P-C4' energy: -86.061 flat angles P-C4'-P energy: -61.068 tors. eta vs tors. theta energy: -110.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1457.144351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.144351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.144351 (E_RNA) where: Base-Base interactions energy: -1037.060 where: short stacking energy: -435.016 Base-Backbone interact. energy: 0.067 local terms energy: -420.151179 where: bonds (distance) C4'-P energy: -80.918 bonds (distance) P-C4' energy: -81.501 flat angles C4'-P-C4' energy: -89.761 flat angles P-C4'-P energy: -60.389 tors. eta vs tors. theta energy: -107.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1328.754000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.754000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.754000 (E_RNA) where: Base-Base interactions energy: -941.223 where: short stacking energy: -383.585 Base-Backbone interact. energy: 0.044 local terms energy: -387.574805 where: bonds (distance) C4'-P energy: -74.009 bonds (distance) P-C4' energy: -75.384 flat angles C4'-P-C4' energy: -87.313 flat angles P-C4'-P energy: -62.223 tors. eta vs tors. theta energy: -88.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1226.741812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.741812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.741812 (E_RNA) where: Base-Base interactions energy: -855.305 where: short stacking energy: -377.496 Base-Backbone interact. energy: -0.614 local terms energy: -370.822531 where: bonds (distance) C4'-P energy: -60.364 bonds (distance) P-C4' energy: -74.316 flat angles C4'-P-C4' energy: -79.828 flat angles P-C4'-P energy: -53.910 tors. eta vs tors. theta energy: -102.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1152.890301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.890301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.890301 (E_RNA) where: Base-Base interactions energy: -809.584 where: short stacking energy: -357.113 Base-Backbone interact. energy: 6.811 local terms energy: -350.116808 where: bonds (distance) C4'-P energy: -75.677 bonds (distance) P-C4' energy: -80.463 flat angles C4'-P-C4' energy: -78.270 flat angles P-C4'-P energy: -46.701 tors. eta vs tors. theta energy: -69.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -982.395766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.395766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.395766 (E_RNA) where: Base-Base interactions energy: -671.165 where: short stacking energy: -271.932 Base-Backbone interact. energy: -1.088 local terms energy: -310.143286 where: bonds (distance) C4'-P energy: -58.961 bonds (distance) P-C4' energy: -67.509 flat angles C4'-P-C4' energy: -70.790 flat angles P-C4'-P energy: -48.755 tors. eta vs tors. theta energy: -64.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -829.003480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.003480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.003480 (E_RNA) where: Base-Base interactions energy: -525.162 where: short stacking energy: -244.899 Base-Backbone interact. energy: -1.513 local terms energy: -302.329131 where: bonds (distance) C4'-P energy: -75.223 bonds (distance) P-C4' energy: -66.380 flat angles C4'-P-C4' energy: -73.675 flat angles P-C4'-P energy: -39.991 tors. eta vs tors. theta energy: -47.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -658.537266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.537266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.537266 (E_RNA) where: Base-Base interactions energy: -393.133 where: short stacking energy: -208.634 Base-Backbone interact. energy: -1.210 local terms energy: -264.195139 where: bonds (distance) C4'-P energy: -63.709 bonds (distance) P-C4' energy: -68.220 flat angles C4'-P-C4' energy: -66.089 flat angles P-C4'-P energy: -35.328 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: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -579.920181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.920181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.920181 (E_RNA) where: Base-Base interactions energy: -323.773 where: short stacking energy: -170.938 Base-Backbone interact. energy: 4.532 local terms energy: -260.679301 where: bonds (distance) C4'-P energy: -63.767 bonds (distance) P-C4' energy: -73.047 flat angles C4'-P-C4' energy: -56.407 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -24.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1564.449027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.449027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.449027 (E_RNA) where: Base-Base interactions energy: -1102.783 where: short stacking energy: -436.491 Base-Backbone interact. energy: -1.312 local terms energy: -460.354283 where: bonds (distance) C4'-P energy: -82.166 bonds (distance) P-C4' energy: -83.710 flat angles C4'-P-C4' energy: -98.862 flat angles P-C4'-P energy: -70.401 tors. eta vs tors. theta energy: -125.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1426.972300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.972300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.972300 (E_RNA) where: Base-Base interactions energy: -1001.809 where: short stacking energy: -452.522 Base-Backbone interact. energy: -2.515 local terms energy: -422.648488 where: bonds (distance) C4'-P energy: -73.902 bonds (distance) P-C4' energy: -84.194 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -117.616 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: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1428.118275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.118275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.118275 (E_RNA) where: Base-Base interactions energy: -1009.291 where: short stacking energy: -418.145 Base-Backbone interact. energy: 0.322 local terms energy: -419.148898 where: bonds (distance) C4'-P energy: -76.168 bonds (distance) P-C4' energy: -78.818 flat angles C4'-P-C4' energy: -79.829 flat angles P-C4'-P energy: -76.100 tors. eta vs tors. theta energy: -108.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1334.309413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.309413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.309413 (E_RNA) where: Base-Base interactions energy: -923.428 where: short stacking energy: -366.488 Base-Backbone interact. energy: -3.634 local terms energy: -407.247367 where: bonds (distance) C4'-P energy: -79.242 bonds (distance) P-C4' energy: -78.851 flat angles C4'-P-C4' energy: -89.503 flat angles P-C4'-P energy: -62.171 tors. eta vs tors. theta energy: -97.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1283.224663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.224663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.224663 (E_RNA) where: Base-Base interactions energy: -867.801 where: short stacking energy: -373.911 Base-Backbone interact. energy: -0.937 local terms energy: -414.486405 where: bonds (distance) C4'-P energy: -85.727 bonds (distance) P-C4' energy: -86.262 flat angles C4'-P-C4' energy: -85.304 flat angles P-C4'-P energy: -54.961 tors. eta vs tors. theta energy: -102.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1152.581179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.581179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.581179 (E_RNA) where: Base-Base interactions energy: -796.293 where: short stacking energy: -334.436 Base-Backbone interact. energy: -2.663 local terms energy: -353.624937 where: bonds (distance) C4'-P energy: -72.622 bonds (distance) P-C4' energy: -87.805 flat angles C4'-P-C4' energy: -69.196 flat angles P-C4'-P energy: -45.617 tors. eta vs tors. theta energy: -78.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -974.778292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.778292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.778292 (E_RNA) where: Base-Base interactions energy: -646.682 where: short stacking energy: -274.194 Base-Backbone interact. energy: -0.267 local terms energy: -327.829068 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -91.371 flat angles P-C4'-P energy: -48.626 tors. eta vs tors. theta energy: -58.784 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: 175 Temperature: 1.250000 Total energy: -844.104739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.104739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.104739 (E_RNA) where: Base-Base interactions energy: -532.314 where: short stacking energy: -262.154 Base-Backbone interact. energy: -0.648 local terms energy: -311.142404 where: bonds (distance) C4'-P energy: -60.506 bonds (distance) P-C4' energy: -68.385 flat angles C4'-P-C4' energy: -86.482 flat angles P-C4'-P energy: -41.874 tors. eta vs tors. theta energy: -53.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -683.907373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.907373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.907373 (E_RNA) where: Base-Base interactions energy: -429.589 where: short stacking energy: -200.231 Base-Backbone interact. energy: 0.005 local terms energy: -254.322892 where: bonds (distance) C4'-P energy: -71.666 bonds (distance) P-C4' energy: -60.425 flat angles C4'-P-C4' energy: -50.730 flat angles P-C4'-P energy: -34.801 tors. eta vs tors. theta energy: -36.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -577.003338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.003338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.003338 (E_RNA) where: Base-Base interactions energy: -331.406 where: short stacking energy: -168.840 Base-Backbone interact. energy: 3.789 local terms energy: -249.385706 where: bonds (distance) C4'-P energy: -52.957 bonds (distance) P-C4' energy: -76.124 flat angles C4'-P-C4' energy: -63.492 flat angles P-C4'-P energy: -38.347 tors. eta vs tors. theta energy: -18.466 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: 7 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1542.954499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.954499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.954499 (E_RNA) where: Base-Base interactions energy: -1075.773 where: short stacking energy: -436.616 Base-Backbone interact. energy: 1.573 local terms energy: -468.755237 where: bonds (distance) C4'-P energy: -91.497 bonds (distance) P-C4' energy: -93.086 flat angles C4'-P-C4' energy: -104.083 flat angles P-C4'-P energy: -56.318 tors. eta vs tors. theta energy: -123.771 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: 2, replica: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1420.660906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.660906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.660906 (E_RNA) where: Base-Base interactions energy: -980.766 where: short stacking energy: -416.996 Base-Backbone interact. energy: -2.071 local terms energy: -437.823806 where: bonds (distance) C4'-P energy: -89.740 bonds (distance) P-C4' energy: -88.031 flat angles C4'-P-C4' energy: -94.288 flat angles P-C4'-P energy: -55.688 tors. eta vs tors. theta energy: -110.077 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: 176 Temperature: 1.000000 Total energy: -1444.964292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.964292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.964292 (E_RNA) where: Base-Base interactions energy: -1041.071 where: short stacking energy: -415.614 Base-Backbone interact. energy: 1.243 local terms energy: -405.136359 where: bonds (distance) C4'-P energy: -78.497 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -85.453 flat angles P-C4'-P energy: -56.823 tors. eta vs tors. theta energy: -105.801 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: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1352.751297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.751297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.751297 (E_RNA) where: Base-Base interactions energy: -934.557 where: short stacking energy: -374.266 Base-Backbone interact. energy: -1.282 local terms energy: -416.911621 where: bonds (distance) C4'-P energy: -86.445 bonds (distance) P-C4' energy: -90.438 flat angles C4'-P-C4' energy: -88.454 flat angles P-C4'-P energy: -55.228 tors. eta vs tors. theta energy: -96.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1275.059613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.059613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.059613 (E_RNA) where: Base-Base interactions energy: -872.165 where: short stacking energy: -377.743 Base-Backbone interact. energy: 2.371 local terms energy: -405.265529 where: bonds (distance) C4'-P energy: -72.985 bonds (distance) P-C4' energy: -63.521 flat angles C4'-P-C4' energy: -96.134 flat angles P-C4'-P energy: -63.368 tors. eta vs tors. theta energy: -109.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1193.625738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.625738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.625738 (E_RNA) where: Base-Base interactions energy: -824.273 where: short stacking energy: -345.595 Base-Backbone interact. energy: 1.577 local terms energy: -370.929834 where: bonds (distance) C4'-P energy: -63.236 bonds (distance) P-C4' energy: -74.245 flat angles C4'-P-C4' energy: -84.285 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -97.101 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: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -948.713409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.713409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.713409 (E_RNA) where: Base-Base interactions energy: -615.112 where: short stacking energy: -287.679 Base-Backbone interact. energy: -1.391 local terms energy: -332.210289 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -84.851 flat angles C4'-P-C4' energy: -76.108 flat angles P-C4'-P energy: -42.903 tors. eta vs tors. theta energy: -66.494 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: 176 Temperature: 1.250000 Total energy: -831.914012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.914012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.914012 (E_RNA) where: Base-Base interactions energy: -513.611 where: short stacking energy: -245.600 Base-Backbone interact. energy: 0.883 local terms energy: -319.186094 where: bonds (distance) C4'-P energy: -75.162 bonds (distance) P-C4' energy: -65.776 flat angles C4'-P-C4' energy: -71.557 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -53.428 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: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -644.475809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.475809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.475809 (E_RNA) where: Base-Base interactions energy: -365.092 where: short stacking energy: -180.263 Base-Backbone interact. energy: -1.458 local terms energy: -277.925172 where: bonds (distance) C4'-P energy: -73.143 bonds (distance) P-C4' energy: -75.850 flat angles C4'-P-C4' energy: -72.092 flat angles P-C4'-P energy: -41.527 tors. eta vs tors. theta energy: -15.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -658.574623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.574623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.574623 (E_RNA) where: Base-Base interactions energy: -405.944 where: short stacking energy: -192.964 Base-Backbone interact. energy: 3.049 local terms energy: -255.680342 where: bonds (distance) C4'-P energy: -45.430 bonds (distance) P-C4' energy: -70.483 flat angles C4'-P-C4' energy: -67.148 flat angles P-C4'-P energy: -43.965 tors. eta vs tors. theta energy: -28.655 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: 7 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1520.276446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.276446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.276446 (E_RNA) where: Base-Base interactions energy: -1081.859 where: short stacking energy: -429.639 Base-Backbone interact. energy: 0.906 local terms energy: -439.324157 where: bonds (distance) C4'-P energy: -76.741 bonds (distance) P-C4' energy: -83.707 flat angles C4'-P-C4' energy: -92.336 flat angles P-C4'-P energy: -59.981 tors. eta vs tors. theta energy: -126.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1428.350261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.350261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.350261 (E_RNA) where: Base-Base interactions energy: -988.508 where: short stacking energy: -402.282 Base-Backbone interact. energy: 1.216 local terms energy: -441.058922 where: bonds (distance) C4'-P energy: -77.247 bonds (distance) P-C4' energy: -94.900 flat angles C4'-P-C4' energy: -89.630 flat angles P-C4'-P energy: -57.995 tors. eta vs tors. theta energy: -121.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1401.645552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.645552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.645552 (E_RNA) where: Base-Base interactions energy: -1000.584 where: short stacking energy: -409.221 Base-Backbone interact. energy: 2.688 local terms energy: -403.749175 where: bonds (distance) C4'-P energy: -77.914 bonds (distance) P-C4' energy: -74.749 flat angles C4'-P-C4' energy: -85.922 flat angles P-C4'-P energy: -64.028 tors. eta vs tors. theta energy: -101.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1329.330047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.330047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.330047 (E_RNA) where: Base-Base interactions energy: -916.274 where: short stacking energy: -403.515 Base-Backbone interact. energy: -2.011 local terms energy: -411.044667 where: bonds (distance) C4'-P energy: -68.878 bonds (distance) P-C4' energy: -89.197 flat angles C4'-P-C4' energy: -92.922 flat angles P-C4'-P energy: -47.044 tors. eta vs tors. theta energy: -113.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1265.190632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.190632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.190632 (E_RNA) where: Base-Base interactions energy: -876.005 where: short stacking energy: -377.720 Base-Backbone interact. energy: -0.517 local terms energy: -388.668668 where: bonds (distance) C4'-P energy: -65.286 bonds (distance) P-C4' energy: -76.200 flat angles C4'-P-C4' energy: -83.105 flat angles P-C4'-P energy: -60.523 tors. eta vs tors. theta energy: -103.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1157.987288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.987288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.987288 (E_RNA) where: Base-Base interactions energy: -782.668 where: short stacking energy: -340.497 Base-Backbone interact. energy: 0.389 local terms energy: -375.708254 where: bonds (distance) C4'-P energy: -81.561 bonds (distance) P-C4' energy: -77.164 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -54.088 tors. eta vs tors. theta energy: -85.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -970.446682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.446682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.446682 (E_RNA) where: Base-Base interactions energy: -637.259 where: short stacking energy: -287.723 Base-Backbone interact. energy: 6.027 local terms energy: -339.214568 where: bonds (distance) C4'-P energy: -73.384 bonds (distance) P-C4' energy: -76.102 flat angles C4'-P-C4' energy: -76.102 flat angles P-C4'-P energy: -57.488 tors. eta vs tors. theta energy: -56.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -708.646940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.646940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.646940 (E_RNA) where: Base-Base interactions energy: -411.114 where: short stacking energy: -213.208 Base-Backbone interact. energy: 0.559 local terms energy: -298.092569 where: bonds (distance) C4'-P energy: -66.153 bonds (distance) P-C4' energy: -78.279 flat angles C4'-P-C4' energy: -73.281 flat angles P-C4'-P energy: -43.937 tors. eta vs tors. theta energy: -36.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -744.948905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.948905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.948905 (E_RNA) where: Base-Base interactions energy: -471.315 where: short stacking energy: -209.518 Base-Backbone interact. energy: 0.944 local terms energy: -274.577989 where: bonds (distance) C4'-P energy: -78.142 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -67.495 flat angles P-C4'-P energy: -34.619 tors. eta vs tors. theta energy: -26.116 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: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -618.182231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.182231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.182231 (E_RNA) where: Base-Base interactions energy: -388.658 where: short stacking energy: -169.929 Base-Backbone interact. energy: -2.718 local terms energy: -226.806135 where: bonds (distance) C4'-P energy: -55.549 bonds (distance) P-C4' energy: -68.194 flat angles C4'-P-C4' energy: -48.758 flat angles P-C4'-P energy: -38.390 tors. eta vs tors. theta energy: -15.915 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: 1, replica: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1539.676067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.676067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.676067 (E_RNA) where: Base-Base interactions energy: -1072.285 where: short stacking energy: -417.000 Base-Backbone interact. energy: -2.642 local terms energy: -464.749901 where: bonds (distance) C4'-P energy: -90.912 bonds (distance) P-C4' energy: -84.147 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -69.118 tors. eta vs tors. theta energy: -124.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1439.292601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.292601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.292601 (E_RNA) where: Base-Base interactions energy: -1014.430 where: short stacking energy: -438.604 Base-Backbone interact. energy: 0.029 local terms energy: -424.891719 where: bonds (distance) C4'-P energy: -74.152 bonds (distance) P-C4' energy: -76.626 flat angles C4'-P-C4' energy: -100.180 flat angles P-C4'-P energy: -56.821 tors. eta vs tors. theta energy: -117.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1413.273592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.273592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.273592 (E_RNA) where: Base-Base interactions energy: -993.591 where: short stacking energy: -416.783 Base-Backbone interact. energy: -2.894 local terms energy: -416.789325 where: bonds (distance) C4'-P energy: -73.866 bonds (distance) P-C4' energy: -80.795 flat angles C4'-P-C4' energy: -94.287 flat angles P-C4'-P energy: -62.193 tors. eta vs tors. theta energy: -105.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1310.788830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.788830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.788830 (E_RNA) where: Base-Base interactions energy: -906.565 where: short stacking energy: -374.743 Base-Backbone interact. energy: 0.904 local terms energy: -405.128086 where: bonds (distance) C4'-P energy: -79.812 bonds (distance) P-C4' energy: -70.748 flat angles C4'-P-C4' energy: -102.267 flat angles P-C4'-P energy: -47.326 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: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1270.720910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.720910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.720910 (E_RNA) where: Base-Base interactions energy: -852.480 where: short stacking energy: -398.921 Base-Backbone interact. energy: 0.273 local terms energy: -418.513232 where: bonds (distance) C4'-P energy: -74.463 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -89.204 flat angles P-C4'-P energy: -64.181 tors. eta vs tors. theta energy: -113.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1180.034635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.034635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.034635 (E_RNA) where: Base-Base interactions energy: -784.094 where: short stacking energy: -342.353 Base-Backbone interact. energy: -2.278 local terms energy: -393.663032 where: bonds (distance) C4'-P energy: -79.668 bonds (distance) P-C4' energy: -80.981 flat angles C4'-P-C4' energy: -86.613 flat angles P-C4'-P energy: -60.995 tors. eta vs tors. theta energy: -85.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -968.737433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.737433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.737433 (E_RNA) where: Base-Base interactions energy: -633.068 where: short stacking energy: -285.467 Base-Backbone interact. energy: 0.129 local terms energy: -335.798560 where: bonds (distance) C4'-P energy: -63.450 bonds (distance) P-C4' energy: -80.648 flat angles C4'-P-C4' energy: -74.252 flat angles P-C4'-P energy: -53.560 tors. eta vs tors. theta energy: -63.889 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: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -761.853198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.853198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.853198 (E_RNA) where: Base-Base interactions energy: -469.448 where: short stacking energy: -223.153 Base-Backbone interact. energy: -2.655 local terms energy: -289.749705 where: bonds (distance) C4'-P energy: -59.966 bonds (distance) P-C4' energy: -69.099 flat angles C4'-P-C4' energy: -83.024 flat angles P-C4'-P energy: -45.625 tors. eta vs tors. theta energy: -32.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -723.687601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.687601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.687601 (E_RNA) where: Base-Base interactions energy: -429.568 where: short stacking energy: -183.297 Base-Backbone interact. energy: -0.942 local terms energy: -293.177580 where: bonds (distance) C4'-P energy: -75.249 bonds (distance) P-C4' energy: -76.006 flat angles C4'-P-C4' energy: -67.077 flat angles P-C4'-P energy: -55.671 tors. eta vs tors. theta energy: -19.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -679.756697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.756697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.756697 (E_RNA) where: Base-Base interactions energy: -414.060 where: short stacking energy: -220.523 Base-Backbone interact. energy: -1.422 local terms energy: -264.274868 where: bonds (distance) C4'-P energy: -49.481 bonds (distance) P-C4' energy: -70.230 flat angles C4'-P-C4' energy: -69.097 flat angles P-C4'-P energy: -48.037 tors. eta vs tors. theta energy: -27.429 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: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1547.214706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.214706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.214706 (E_RNA) where: Base-Base interactions energy: -1099.946 where: short stacking energy: -432.633 Base-Backbone interact. energy: 1.318 local terms energy: -448.587447 where: bonds (distance) C4'-P energy: -79.526 bonds (distance) P-C4' energy: -86.215 flat angles C4'-P-C4' energy: -95.775 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -115.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1474.667052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.667052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.667052 (E_RNA) where: Base-Base interactions energy: -1062.149 where: short stacking energy: -437.923 Base-Backbone interact. energy: 1.186 local terms energy: -413.704528 where: bonds (distance) C4'-P energy: -79.082 bonds (distance) P-C4' energy: -71.927 flat angles C4'-P-C4' energy: -87.186 flat angles P-C4'-P energy: -57.734 tors. eta vs tors. theta energy: -117.775 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: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1403.556414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.556414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.556414 (E_RNA) where: Base-Base interactions energy: -996.501 where: short stacking energy: -406.319 Base-Backbone interact. energy: -2.250 local terms energy: -404.805802 where: bonds (distance) C4'-P energy: -72.382 bonds (distance) P-C4' energy: -80.042 flat angles C4'-P-C4' energy: -89.426 flat angles P-C4'-P energy: -45.898 tors. eta vs tors. theta energy: -117.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1353.414793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.414793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.414793 (E_RNA) where: Base-Base interactions energy: -936.446 where: short stacking energy: -387.134 Base-Backbone interact. energy: 0.123 local terms energy: -417.092023 where: bonds (distance) C4'-P energy: -85.061 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -91.539 flat angles P-C4'-P energy: -61.041 tors. eta vs tors. theta energy: -107.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1296.581466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.581466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.581466 (E_RNA) where: Base-Base interactions energy: -903.281 where: short stacking energy: -399.601 Base-Backbone interact. energy: -0.450 local terms energy: -392.850305 where: bonds (distance) C4'-P energy: -83.247 bonds (distance) P-C4' energy: -68.736 flat angles C4'-P-C4' energy: -90.607 flat angles P-C4'-P energy: -47.713 tors. eta vs tors. theta energy: -102.546 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: 179 Temperature: 1.150000 Total energy: -1160.641175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.641175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.641175 (E_RNA) where: Base-Base interactions energy: -795.007 where: short stacking energy: -345.755 Base-Backbone interact. energy: -2.779 local terms energy: -362.854801 where: bonds (distance) C4'-P energy: -65.775 bonds (distance) P-C4' energy: -84.010 flat angles C4'-P-C4' energy: -82.872 flat angles P-C4'-P energy: -51.199 tors. eta vs tors. theta energy: -78.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -968.167901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.167901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.167901 (E_RNA) where: Base-Base interactions energy: -620.858 where: short stacking energy: -268.170 Base-Backbone interact. energy: -1.251 local terms energy: -346.058782 where: bonds (distance) C4'-P energy: -70.215 bonds (distance) P-C4' energy: -91.124 flat angles C4'-P-C4' energy: -78.478 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -59.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -814.746691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.746691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.746691 (E_RNA) where: Base-Base interactions energy: -524.938 where: short stacking energy: -237.726 Base-Backbone interact. energy: -0.228 local terms energy: -289.580511 where: bonds (distance) C4'-P energy: -67.823 bonds (distance) P-C4' energy: -68.880 flat angles C4'-P-C4' energy: -73.032 flat angles P-C4'-P energy: -37.160 tors. eta vs tors. theta energy: -42.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -749.499574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.499574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.499574 (E_RNA) where: Base-Base interactions energy: -431.920 where: short stacking energy: -201.970 Base-Backbone interact. energy: 0.316 local terms energy: -317.895866 where: bonds (distance) C4'-P energy: -79.488 bonds (distance) P-C4' energy: -84.493 flat angles C4'-P-C4' energy: -76.536 flat angles P-C4'-P energy: -43.569 tors. eta vs tors. theta energy: -33.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -655.571560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.571560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.571560 (E_RNA) where: Base-Base interactions energy: -380.669 where: short stacking energy: -189.967 Base-Backbone interact. energy: 4.151 local terms energy: -279.053312 where: bonds (distance) C4'-P energy: -60.890 bonds (distance) P-C4' energy: -80.687 flat angles C4'-P-C4' energy: -67.458 flat angles P-C4'-P energy: -37.693 tors. eta vs tors. theta energy: -32.326 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: 180 Temperature: 0.900000 Total energy: -1555.605173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.605173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.605173 (E_RNA) where: Base-Base interactions energy: -1083.732 where: short stacking energy: -439.608 Base-Backbone interact. energy: 0.788 local terms energy: -472.660673 where: bonds (distance) C4'-P energy: -88.042 bonds (distance) P-C4' energy: -90.822 flat angles C4'-P-C4' energy: -95.834 flat angles P-C4'-P energy: -66.342 tors. eta vs tors. theta energy: -131.619 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: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1474.220872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.220872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.220872 (E_RNA) where: Base-Base interactions energy: -1051.596 where: short stacking energy: -445.291 Base-Backbone interact. energy: 0.080 local terms energy: -422.704799 where: bonds (distance) C4'-P energy: -74.151 bonds (distance) P-C4' energy: -82.370 flat angles C4'-P-C4' energy: -97.878 flat angles P-C4'-P energy: -55.652 tors. eta vs tors. theta energy: -112.654 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: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1372.577555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.577555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.577555 (E_RNA) where: Base-Base interactions energy: -960.409 where: short stacking energy: -376.123 Base-Backbone interact. energy: -0.935 local terms energy: -411.233681 where: bonds (distance) C4'-P energy: -82.042 bonds (distance) P-C4' energy: -78.279 flat angles C4'-P-C4' energy: -80.851 flat angles P-C4'-P energy: -60.912 tors. eta vs tors. theta energy: -109.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1362.570440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.570440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.570440 (E_RNA) where: Base-Base interactions energy: -947.171 where: short stacking energy: -372.631 Base-Backbone interact. energy: -2.409 local terms energy: -412.990362 where: bonds (distance) C4'-P energy: -77.664 bonds (distance) P-C4' energy: -77.223 flat angles C4'-P-C4' energy: -96.700 flat angles P-C4'-P energy: -57.692 tors. eta vs tors. theta energy: -103.711 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: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1240.995736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.995736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.995736 (E_RNA) where: Base-Base interactions energy: -841.129 where: short stacking energy: -377.606 Base-Backbone interact. energy: 0.491 local terms energy: -400.358549 where: bonds (distance) C4'-P energy: -70.076 bonds (distance) P-C4' energy: -81.056 flat angles C4'-P-C4' energy: -88.450 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: -97.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1157.032708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.032708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.032708 (E_RNA) where: Base-Base interactions energy: -790.156 where: short stacking energy: -344.908 Base-Backbone interact. energy: 0.088 local terms energy: -366.964125 where: bonds (distance) C4'-P energy: -74.153 bonds (distance) P-C4' energy: -79.524 flat angles C4'-P-C4' energy: -76.236 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: -82.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -976.690888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.690888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.690888 (E_RNA) where: Base-Base interactions energy: -628.745 where: short stacking energy: -269.576 Base-Backbone interact. energy: -1.790 local terms energy: -346.156156 where: bonds (distance) C4'-P energy: -79.981 bonds (distance) P-C4' energy: -74.509 flat angles C4'-P-C4' energy: -81.205 flat angles P-C4'-P energy: -47.956 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: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -828.979761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.979761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.979761 (E_RNA) where: Base-Base interactions energy: -541.739 where: short stacking energy: -234.883 Base-Backbone interact. energy: 2.025 local terms energy: -289.265086 where: bonds (distance) C4'-P energy: -55.997 bonds (distance) P-C4' energy: -72.974 flat angles C4'-P-C4' energy: -72.747 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -45.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -827.261970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.261970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.261970 (E_RNA) where: Base-Base interactions energy: -532.104 where: short stacking energy: -256.853 Base-Backbone interact. energy: 0.375 local terms energy: -295.533635 where: bonds (distance) C4'-P energy: -73.986 bonds (distance) P-C4' energy: -62.337 flat angles C4'-P-C4' energy: -72.488 flat angles P-C4'-P energy: -39.713 tors. eta vs tors. theta energy: -47.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -683.683311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.683311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.683311 (E_RNA) where: Base-Base interactions energy: -424.080 where: short stacking energy: -204.583 Base-Backbone interact. energy: 1.871 local terms energy: -261.474172 where: bonds (distance) C4'-P energy: -50.822 bonds (distance) P-C4' energy: -70.010 flat angles C4'-P-C4' energy: -60.211 flat angles P-C4'-P energy: -47.828 tors. eta vs tors. theta energy: -32.604 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: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1528.949444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.949444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.949444 (E_RNA) where: Base-Base interactions energy: -1087.216 where: short stacking energy: -429.859 Base-Backbone interact. energy: 3.114 local terms energy: -444.847641 where: bonds (distance) C4'-P energy: -80.319 bonds (distance) P-C4' energy: -88.813 flat angles C4'-P-C4' energy: -98.973 flat angles P-C4'-P energy: -51.431 tors. eta vs tors. theta energy: -125.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1469.746670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.746670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.746670 (E_RNA) where: Base-Base interactions energy: -1052.988 where: short stacking energy: -425.727 Base-Backbone interact. energy: 0.258 local terms energy: -417.016349 where: bonds (distance) C4'-P energy: -72.214 bonds (distance) P-C4' energy: -89.241 flat angles C4'-P-C4' energy: -93.787 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -111.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1408.306544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.306544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.306544 (E_RNA) where: Base-Base interactions energy: -981.902 where: short stacking energy: -409.259 Base-Backbone interact. energy: -1.812 local terms energy: -424.593157 where: bonds (distance) C4'-P energy: -87.700 bonds (distance) P-C4' energy: -72.313 flat angles C4'-P-C4' energy: -89.950 flat angles P-C4'-P energy: -66.272 tors. eta vs tors. theta energy: -108.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1345.841212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.841212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.841212 (E_RNA) where: Base-Base interactions energy: -955.238 where: short stacking energy: -389.766 Base-Backbone interact. energy: 1.377 local terms energy: -391.980718 where: bonds (distance) C4'-P energy: -65.363 bonds (distance) P-C4' energy: -76.513 flat angles C4'-P-C4' energy: -81.853 flat angles P-C4'-P energy: -61.374 tors. eta vs tors. theta energy: -106.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1248.760724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.760724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.760724 (E_RNA) where: Base-Base interactions energy: -841.033 where: short stacking energy: -391.184 Base-Backbone interact. energy: 1.353 local terms energy: -409.080579 where: bonds (distance) C4'-P energy: -76.573 bonds (distance) P-C4' energy: -80.671 flat angles C4'-P-C4' energy: -95.570 flat angles P-C4'-P energy: -49.358 tors. eta vs tors. theta energy: -106.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1149.369530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.369530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.369530 (E_RNA) where: Base-Base interactions energy: -797.012 where: short stacking energy: -341.543 Base-Backbone interact. energy: -0.017 local terms energy: -352.340953 where: bonds (distance) C4'-P energy: -59.270 bonds (distance) P-C4' energy: -79.781 flat angles C4'-P-C4' energy: -81.952 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -76.696 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: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1035.880110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.880110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.880110 (E_RNA) where: Base-Base interactions energy: -681.939 where: short stacking energy: -304.505 Base-Backbone interact. energy: -1.266 local terms energy: -352.674296 where: bonds (distance) C4'-P energy: -78.732 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -80.942 flat angles P-C4'-P energy: -51.039 tors. eta vs tors. theta energy: -75.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -748.068112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.068112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.068112 (E_RNA) where: Base-Base interactions energy: -466.931 where: short stacking energy: -220.417 Base-Backbone interact. energy: -2.581 local terms energy: -278.556301 where: bonds (distance) C4'-P energy: -62.199 bonds (distance) P-C4' energy: -67.310 flat angles C4'-P-C4' energy: -62.579 flat angles P-C4'-P energy: -49.456 tors. eta vs tors. theta energy: -37.012 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: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -798.395167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.395167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.395167 (E_RNA) where: Base-Base interactions energy: -508.404 where: short stacking energy: -255.647 Base-Backbone interact. energy: -1.420 local terms energy: -288.571065 where: bonds (distance) C4'-P energy: -67.394 bonds (distance) P-C4' energy: -76.207 flat angles C4'-P-C4' energy: -67.611 flat angles P-C4'-P energy: -25.572 tors. eta vs tors. theta energy: -51.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -730.332607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.332607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.332607 (E_RNA) where: Base-Base interactions energy: -441.524 where: short stacking energy: -227.323 Base-Backbone interact. energy: -1.642 local terms energy: -287.166740 where: bonds (distance) C4'-P energy: -70.529 bonds (distance) P-C4' energy: -81.559 flat angles C4'-P-C4' energy: -56.797 flat angles P-C4'-P energy: -36.818 tors. eta vs tors. theta energy: -41.464 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: 7 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1533.875332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.875332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.875332 (E_RNA) where: Base-Base interactions energy: -1064.945 where: short stacking energy: -421.800 Base-Backbone interact. energy: -2.818 local terms energy: -466.112538 where: bonds (distance) C4'-P energy: -87.395 bonds (distance) P-C4' energy: -87.684 flat angles C4'-P-C4' energy: -101.708 flat angles P-C4'-P energy: -66.418 tors. eta vs tors. theta energy: -122.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1474.951459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.951459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.951459 (E_RNA) where: Base-Base interactions energy: -1045.344 where: short stacking energy: -445.263 Base-Backbone interact. energy: -0.874 local terms energy: -428.733300 where: bonds (distance) C4'-P energy: -82.927 bonds (distance) P-C4' energy: -84.145 flat angles C4'-P-C4' energy: -97.544 flat angles P-C4'-P energy: -54.562 tors. eta vs tors. theta energy: -109.555 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: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1396.838976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.838976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.838976 (E_RNA) where: Base-Base interactions energy: -971.269 where: short stacking energy: -401.694 Base-Backbone interact. energy: -2.563 local terms energy: -423.006930 where: bonds (distance) C4'-P energy: -76.201 bonds (distance) P-C4' energy: -79.476 flat angles C4'-P-C4' energy: -97.892 flat angles P-C4'-P energy: -61.365 tors. eta vs tors. theta energy: -108.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1361.379993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.379993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.379993 (E_RNA) where: Base-Base interactions energy: -937.880 where: short stacking energy: -406.179 Base-Backbone interact. energy: -1.075 local terms energy: -422.424810 where: bonds (distance) C4'-P energy: -77.063 bonds (distance) P-C4' energy: -84.385 flat angles C4'-P-C4' energy: -79.902 flat angles P-C4'-P energy: -65.704 tors. eta vs tors. theta energy: -115.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1244.149485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.149485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.149485 (E_RNA) where: Base-Base interactions energy: -837.700 where: short stacking energy: -392.783 Base-Backbone interact. energy: 0.049 local terms energy: -406.498553 where: bonds (distance) C4'-P energy: -76.328 bonds (distance) P-C4' energy: -69.811 flat angles C4'-P-C4' energy: -83.618 flat angles P-C4'-P energy: -57.204 tors. eta vs tors. theta energy: -119.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1138.426623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.426623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.426623 (E_RNA) where: Base-Base interactions energy: -773.474 where: short stacking energy: -340.983 Base-Backbone interact. energy: -2.709 local terms energy: -362.244023 where: bonds (distance) C4'-P energy: -69.964 bonds (distance) P-C4' energy: -71.237 flat angles C4'-P-C4' energy: -84.293 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -78.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -983.859885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.859885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.859885 (E_RNA) where: Base-Base interactions energy: -658.663 where: short stacking energy: -274.477 Base-Backbone interact. energy: 0.045 local terms energy: -325.241919 where: bonds (distance) C4'-P energy: -79.539 bonds (distance) P-C4' energy: -64.579 flat angles C4'-P-C4' energy: -63.149 flat angles P-C4'-P energy: -47.009 tors. eta vs tors. theta energy: -70.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -772.008007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.008007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.008007 (E_RNA) where: Base-Base interactions energy: -501.925 where: short stacking energy: -221.889 Base-Backbone interact. energy: 1.661 local terms energy: -271.743513 where: bonds (distance) C4'-P energy: -51.552 bonds (distance) P-C4' energy: -77.925 flat angles C4'-P-C4' energy: -68.460 flat angles P-C4'-P energy: -38.055 tors. eta vs tors. theta energy: -35.752 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: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -779.023916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.023916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.023916 (E_RNA) where: Base-Base interactions energy: -486.492 where: short stacking energy: -229.230 Base-Backbone interact. energy: 1.871 local terms energy: -294.402807 where: bonds (distance) C4'-P energy: -67.183 bonds (distance) P-C4' energy: -77.936 flat angles C4'-P-C4' energy: -60.856 flat angles P-C4'-P energy: -48.325 tors. eta vs tors. theta energy: -40.102 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: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -614.601490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.601490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.601490 (E_RNA) where: Base-Base interactions energy: -339.110 where: short stacking energy: -160.223 Base-Backbone interact. energy: -1.250 local terms energy: -274.240646 where: bonds (distance) C4'-P energy: -73.770 bonds (distance) P-C4' energy: -75.993 flat angles C4'-P-C4' energy: -63.924 flat angles P-C4'-P energy: -48.085 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: 1, replica: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1558.444339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.444339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.444339 (E_RNA) where: Base-Base interactions energy: -1099.655 where: short stacking energy: -436.567 Base-Backbone interact. energy: -2.273 local terms energy: -456.515683 where: bonds (distance) C4'-P energy: -84.420 bonds (distance) P-C4' energy: -78.874 flat angles C4'-P-C4' energy: -88.336 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -131.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1473.435311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.435311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.435311 (E_RNA) where: Base-Base interactions energy: -1046.184 where: short stacking energy: -439.303 Base-Backbone interact. energy: 1.439 local terms energy: -428.689817 where: bonds (distance) C4'-P energy: -78.804 bonds (distance) P-C4' energy: -81.991 flat angles C4'-P-C4' energy: -93.787 flat angles P-C4'-P energy: -60.440 tors. eta vs tors. theta energy: -113.668 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: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1365.522687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.522687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.522687 (E_RNA) where: Base-Base interactions energy: -952.649 where: short stacking energy: -392.149 Base-Backbone interact. energy: 2.145 local terms energy: -415.018360 where: bonds (distance) C4'-P energy: -71.163 bonds (distance) P-C4' energy: -80.903 flat angles C4'-P-C4' energy: -90.987 flat angles P-C4'-P energy: -64.866 tors. eta vs tors. theta energy: -107.099 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: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1369.524652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.524652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.524652 (E_RNA) where: Base-Base interactions energy: -939.037 where: short stacking energy: -408.440 Base-Backbone interact. energy: -3.419 local terms energy: -427.068759 where: bonds (distance) C4'-P energy: -82.518 bonds (distance) P-C4' energy: -70.720 flat angles C4'-P-C4' energy: -94.148 flat angles P-C4'-P energy: -65.609 tors. eta vs tors. theta energy: -114.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1227.456828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.456828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.456828 (E_RNA) where: Base-Base interactions energy: -839.031 where: short stacking energy: -374.399 Base-Backbone interact. energy: -1.787 local terms energy: -386.638907 where: bonds (distance) C4'-P energy: -59.136 bonds (distance) P-C4' energy: -86.917 flat angles C4'-P-C4' energy: -83.267 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: -101.403 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: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1157.261426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.261426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.261426 (E_RNA) where: Base-Base interactions energy: -779.888 where: short stacking energy: -349.348 Base-Backbone interact. energy: -0.798 local terms energy: -376.575268 where: bonds (distance) C4'-P energy: -74.524 bonds (distance) P-C4' energy: -86.179 flat angles C4'-P-C4' energy: -79.053 flat angles P-C4'-P energy: -48.827 tors. eta vs tors. theta energy: -87.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -949.907587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.907587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.907587 (E_RNA) where: Base-Base interactions energy: -613.252 where: short stacking energy: -264.066 Base-Backbone interact. energy: 1.009 local terms energy: -337.664535 where: bonds (distance) C4'-P energy: -73.956 bonds (distance) P-C4' energy: -76.963 flat angles C4'-P-C4' energy: -81.405 flat angles P-C4'-P energy: -49.520 tors. eta vs tors. theta energy: -55.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -735.783843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.783843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.783843 (E_RNA) where: Base-Base interactions energy: -454.768 where: short stacking energy: -221.016 Base-Backbone interact. energy: 5.322 local terms energy: -286.337820 where: bonds (distance) C4'-P energy: -72.334 bonds (distance) P-C4' energy: -78.553 flat angles C4'-P-C4' energy: -66.287 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -23.610 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: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -819.594257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.594257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.594257 (E_RNA) where: Base-Base interactions energy: -521.505 where: short stacking energy: -229.121 Base-Backbone interact. energy: -0.010 local terms energy: -298.079313 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -55.071 flat angles C4'-P-C4' energy: -77.213 flat angles P-C4'-P energy: -40.060 tors. eta vs tors. theta energy: -51.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -651.814591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.814591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.814591 (E_RNA) where: Base-Base interactions energy: -377.273 where: short stacking energy: -192.476 Base-Backbone interact. energy: 1.820 local terms energy: -276.362204 where: bonds (distance) C4'-P energy: -66.828 bonds (distance) P-C4' energy: -70.775 flat angles C4'-P-C4' energy: -64.254 flat angles P-C4'-P energy: -39.961 tors. eta vs tors. theta energy: -34.545 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: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1517.493333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.493333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.493333 (E_RNA) where: Base-Base interactions energy: -1068.357 where: short stacking energy: -413.371 Base-Backbone interact. energy: -1.098 local terms energy: -448.038355 where: bonds (distance) C4'-P energy: -81.181 bonds (distance) P-C4' energy: -87.202 flat angles C4'-P-C4' energy: -94.612 flat angles P-C4'-P energy: -63.843 tors. eta vs tors. theta energy: -121.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1491.531504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.531504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.531504 (E_RNA) where: Base-Base interactions energy: -1051.549 where: short stacking energy: -411.599 Base-Backbone interact. energy: -3.754 local terms energy: -436.228464 where: bonds (distance) C4'-P energy: -89.969 bonds (distance) P-C4' energy: -93.713 flat angles C4'-P-C4' energy: -88.093 flat angles P-C4'-P energy: -54.158 tors. eta vs tors. theta energy: -110.297 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: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1379.749643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.749643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.749643 (E_RNA) where: Base-Base interactions energy: -947.392 where: short stacking energy: -391.282 Base-Backbone interact. energy: 2.262 local terms energy: -434.619668 where: bonds (distance) C4'-P energy: -79.791 bonds (distance) P-C4' energy: -89.352 flat angles C4'-P-C4' energy: -93.916 flat angles P-C4'-P energy: -62.611 tors. eta vs tors. theta energy: -108.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1358.935200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.935200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.935200 (E_RNA) where: Base-Base interactions energy: -940.934 where: short stacking energy: -388.788 Base-Backbone interact. energy: 1.094 local terms energy: -419.094504 where: bonds (distance) C4'-P energy: -83.744 bonds (distance) P-C4' energy: -85.388 flat angles C4'-P-C4' energy: -89.219 flat angles P-C4'-P energy: -60.361 tors. eta vs tors. theta energy: -100.382 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: 184 Temperature: 1.100000 Total energy: -1261.641097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.641097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.641097 (E_RNA) where: Base-Base interactions energy: -849.306 where: short stacking energy: -385.297 Base-Backbone interact. energy: -0.861 local terms energy: -411.473326 where: bonds (distance) C4'-P energy: -68.905 bonds (distance) P-C4' energy: -73.391 flat angles C4'-P-C4' energy: -88.768 flat angles P-C4'-P energy: -61.953 tors. eta vs tors. theta energy: -118.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1178.790177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.790177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.790177 (E_RNA) where: Base-Base interactions energy: -791.724 where: short stacking energy: -343.561 Base-Backbone interact. energy: 0.020 local terms energy: -387.085773 where: bonds (distance) C4'-P energy: -80.514 bonds (distance) P-C4' energy: -91.226 flat angles C4'-P-C4' energy: -80.929 flat angles P-C4'-P energy: -55.517 tors. eta vs tors. theta energy: -78.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -942.900792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.900792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.900792 (E_RNA) where: Base-Base interactions energy: -611.239 where: short stacking energy: -260.411 Base-Backbone interact. energy: 0.390 local terms energy: -332.052567 where: bonds (distance) C4'-P energy: -64.013 bonds (distance) P-C4' energy: -81.063 flat angles C4'-P-C4' energy: -82.070 flat angles P-C4'-P energy: -37.505 tors. eta vs tors. theta energy: -67.402 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: 8, replica: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -725.077919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.077919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.077919 (E_RNA) where: Base-Base interactions energy: -454.815 where: short stacking energy: -231.768 Base-Backbone interact. energy: 1.895 local terms energy: -272.158547 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -72.201 flat angles C4'-P-C4' energy: -64.606 flat angles P-C4'-P energy: -45.981 tors. eta vs tors. theta energy: -27.723 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: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -824.097257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.097257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.097257 (E_RNA) where: Base-Base interactions energy: -535.926 where: short stacking energy: -234.241 Base-Backbone interact. energy: -0.833 local terms energy: -287.338491 where: bonds (distance) C4'-P energy: -75.647 bonds (distance) P-C4' energy: -84.234 flat angles C4'-P-C4' energy: -57.578 flat angles P-C4'-P energy: -21.270 tors. eta vs tors. theta energy: -48.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -680.943545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.943545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.943545 (E_RNA) where: Base-Base interactions energy: -408.228 where: short stacking energy: -196.953 Base-Backbone interact. energy: 1.726 local terms energy: -274.440987 where: bonds (distance) C4'-P energy: -63.000 bonds (distance) P-C4' energy: -70.080 flat angles C4'-P-C4' energy: -76.151 flat angles P-C4'-P energy: -34.854 tors. eta vs tors. theta energy: -30.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1510.582790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.582790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.582790 (E_RNA) where: Base-Base interactions energy: -1066.787 where: short stacking energy: -437.600 Base-Backbone interact. energy: -2.741 local terms energy: -441.055444 where: bonds (distance) C4'-P energy: -81.637 bonds (distance) P-C4' energy: -83.017 flat angles C4'-P-C4' energy: -90.050 flat angles P-C4'-P energy: -59.222 tors. eta vs tors. theta energy: -127.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1524.512567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.512567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.512567 (E_RNA) where: Base-Base interactions energy: -1074.718 where: short stacking energy: -446.593 Base-Backbone interact. energy: -1.049 local terms energy: -448.746085 where: bonds (distance) C4'-P energy: -97.697 bonds (distance) P-C4' energy: -92.378 flat angles C4'-P-C4' energy: -86.382 flat angles P-C4'-P energy: -60.614 tors. eta vs tors. theta energy: -111.674 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: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1384.026021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.026021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.026021 (E_RNA) where: Base-Base interactions energy: -962.697 where: short stacking energy: -394.674 Base-Backbone interact. energy: 5.051 local terms energy: -426.380442 where: bonds (distance) C4'-P energy: -81.099 bonds (distance) P-C4' energy: -80.187 flat angles C4'-P-C4' energy: -93.049 flat angles P-C4'-P energy: -57.560 tors. eta vs tors. theta energy: -114.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1374.528015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.528015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.528015 (E_RNA) where: Base-Base interactions energy: -956.540 where: short stacking energy: -383.311 Base-Backbone interact. energy: 1.184 local terms energy: -419.172173 where: bonds (distance) C4'-P energy: -74.421 bonds (distance) P-C4' energy: -82.690 flat angles C4'-P-C4' energy: -89.861 flat angles P-C4'-P energy: -70.172 tors. eta vs tors. theta energy: -102.028 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: 185 Temperature: 1.100000 Total energy: -1237.527362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.527362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.527362 (E_RNA) where: Base-Base interactions energy: -853.666 where: short stacking energy: -388.450 Base-Backbone interact. energy: -1.917 local terms energy: -381.944761 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -64.783 flat angles C4'-P-C4' energy: -83.704 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -103.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1159.490996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.490996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.490996 (E_RNA) where: Base-Base interactions energy: -780.414 where: short stacking energy: -334.211 Base-Backbone interact. energy: 2.887 local terms energy: -381.964831 where: bonds (distance) C4'-P energy: -75.768 bonds (distance) P-C4' energy: -83.402 flat angles C4'-P-C4' energy: -75.012 flat angles P-C4'-P energy: -58.100 tors. eta vs tors. theta energy: -89.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -970.389401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.389401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.389401 (E_RNA) where: Base-Base interactions energy: -633.685 where: short stacking energy: -300.970 Base-Backbone interact. energy: 1.050 local terms energy: -337.754582 where: bonds (distance) C4'-P energy: -65.382 bonds (distance) P-C4' energy: -78.485 flat angles C4'-P-C4' energy: -73.672 flat angles P-C4'-P energy: -55.553 tors. eta vs tors. theta energy: -64.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -899.886458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.886458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.886458 (E_RNA) where: Base-Base interactions energy: -590.728 where: short stacking energy: -272.840 Base-Backbone interact. energy: 5.825 local terms energy: -314.983579 where: bonds (distance) C4'-P energy: -71.718 bonds (distance) P-C4' energy: -65.519 flat angles C4'-P-C4' energy: -82.193 flat angles P-C4'-P energy: -42.936 tors. eta vs tors. theta energy: -52.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -713.938811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.938811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.938811 (E_RNA) where: Base-Base interactions energy: -414.109 where: short stacking energy: -190.918 Base-Backbone interact. energy: -0.549 local terms energy: -299.280651 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -79.456 flat angles C4'-P-C4' energy: -77.400 flat angles P-C4'-P energy: -46.015 tors. eta vs tors. theta energy: -25.361 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: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -605.823587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.823587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.823587 (E_RNA) where: Base-Base interactions energy: -359.823 where: short stacking energy: -170.738 Base-Backbone interact. energy: 0.921 local terms energy: -246.921580 where: bonds (distance) C4'-P energy: -52.747 bonds (distance) P-C4' energy: -72.205 flat angles C4'-P-C4' energy: -75.041 flat angles P-C4'-P energy: -29.225 tors. eta vs tors. theta energy: -17.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1527.481187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.481187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.481187 (E_RNA) where: Base-Base interactions energy: -1080.115 where: short stacking energy: -435.192 Base-Backbone interact. energy: -0.056 local terms energy: -447.310235 where: bonds (distance) C4'-P energy: -77.632 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -99.916 flat angles P-C4'-P energy: -57.307 tors. eta vs tors. theta energy: -121.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1487.489342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.489342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.489342 (E_RNA) where: Base-Base interactions energy: -1052.627 where: short stacking energy: -428.721 Base-Backbone interact. energy: -2.582 local terms energy: -432.279960 where: bonds (distance) C4'-P energy: -80.755 bonds (distance) P-C4' energy: -92.256 flat angles C4'-P-C4' energy: -95.962 flat angles P-C4'-P energy: -57.820 tors. eta vs tors. theta energy: -105.487 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: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1372.472882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.472882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.472882 (E_RNA) where: Base-Base interactions energy: -950.218 where: short stacking energy: -408.989 Base-Backbone interact. energy: 2.886 local terms energy: -425.140804 where: bonds (distance) C4'-P energy: -76.860 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -90.615 flat angles P-C4'-P energy: -71.792 tors. eta vs tors. theta energy: -106.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1329.506292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.506292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.506292 (E_RNA) where: Base-Base interactions energy: -922.950 where: short stacking energy: -379.141 Base-Backbone interact. energy: -0.329 local terms energy: -406.226986 where: bonds (distance) C4'-P energy: -64.947 bonds (distance) P-C4' energy: -88.528 flat angles C4'-P-C4' energy: -89.410 flat angles P-C4'-P energy: -69.246 tors. eta vs tors. theta energy: -94.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1216.688030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.688030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.688030 (E_RNA) where: Base-Base interactions energy: -833.821 where: short stacking energy: -372.362 Base-Backbone interact. energy: -0.295 local terms energy: -382.571974 where: bonds (distance) C4'-P energy: -68.275 bonds (distance) P-C4' energy: -75.090 flat angles C4'-P-C4' energy: -84.023 flat angles P-C4'-P energy: -58.907 tors. eta vs tors. theta energy: -96.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1120.735070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.735070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.735070 (E_RNA) where: Base-Base interactions energy: -782.334 where: short stacking energy: -345.647 Base-Backbone interact. energy: -2.054 local terms energy: -336.346768 where: bonds (distance) C4'-P energy: -67.091 bonds (distance) P-C4' energy: -63.083 flat angles C4'-P-C4' energy: -79.448 flat angles P-C4'-P energy: -49.997 tors. eta vs tors. theta energy: -76.727 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: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -985.012395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.012395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.012395 (E_RNA) where: Base-Base interactions energy: -667.283 where: short stacking energy: -284.219 Base-Backbone interact. energy: -2.724 local terms energy: -315.005182 where: bonds (distance) C4'-P energy: -70.178 bonds (distance) P-C4' energy: -76.566 flat angles C4'-P-C4' energy: -66.713 flat angles P-C4'-P energy: -51.970 tors. eta vs tors. theta energy: -49.578 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: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -917.028992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.028992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.028992 (E_RNA) where: Base-Base interactions energy: -572.438 where: short stacking energy: -253.643 Base-Backbone interact. energy: -2.038 local terms energy: -342.553783 where: bonds (distance) C4'-P energy: -61.487 bonds (distance) P-C4' energy: -81.382 flat angles C4'-P-C4' energy: -82.184 flat angles P-C4'-P energy: -54.734 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: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -722.834338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.834338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.834338 (E_RNA) where: Base-Base interactions energy: -429.853 where: short stacking energy: -229.477 Base-Backbone interact. energy: -0.879 local terms energy: -292.102084 where: bonds (distance) C4'-P energy: -71.317 bonds (distance) P-C4' energy: -68.437 flat angles C4'-P-C4' energy: -68.524 flat angles P-C4'-P energy: -39.390 tors. eta vs tors. theta energy: -44.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -612.281922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.281922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.281922 (E_RNA) where: Base-Base interactions energy: -336.024 where: short stacking energy: -170.904 Base-Backbone interact. energy: 0.816 local terms energy: -277.073150 where: bonds (distance) C4'-P energy: -73.097 bonds (distance) P-C4' energy: -81.203 flat angles C4'-P-C4' energy: -72.377 flat angles P-C4'-P energy: -36.214 tors. eta vs tors. theta energy: -14.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1502.673962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.673962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.673962 (E_RNA) where: Base-Base interactions energy: -1064.786 where: short stacking energy: -439.539 Base-Backbone interact. energy: -0.166 local terms energy: -437.722086 where: bonds (distance) C4'-P energy: -73.208 bonds (distance) P-C4' energy: -88.470 flat angles C4'-P-C4' energy: -88.012 flat angles P-C4'-P energy: -61.221 tors. eta vs tors. theta energy: -126.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1467.809171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.809171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.809171 (E_RNA) where: Base-Base interactions energy: -1019.555 where: short stacking energy: -418.431 Base-Backbone interact. energy: -3.602 local terms energy: -444.652267 where: bonds (distance) C4'-P energy: -86.325 bonds (distance) P-C4' energy: -84.240 flat angles C4'-P-C4' energy: -92.748 flat angles P-C4'-P energy: -65.352 tors. eta vs tors. theta energy: -115.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1346.325114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.325114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.325114 (E_RNA) where: Base-Base interactions energy: -931.148 where: short stacking energy: -408.288 Base-Backbone interact. energy: 3.626 local terms energy: -418.803482 where: bonds (distance) C4'-P energy: -77.990 bonds (distance) P-C4' energy: -86.162 flat angles C4'-P-C4' energy: -84.700 flat angles P-C4'-P energy: -62.089 tors. eta vs tors. theta energy: -107.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1337.773085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.773085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.773085 (E_RNA) where: Base-Base interactions energy: -960.736 where: short stacking energy: -355.693 Base-Backbone interact. energy: -1.273 local terms energy: -375.764638 where: bonds (distance) C4'-P energy: -67.977 bonds (distance) P-C4' energy: -75.068 flat angles C4'-P-C4' energy: -78.735 flat angles P-C4'-P energy: -61.540 tors. eta vs tors. theta energy: -92.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1209.532964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.532964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.532964 (E_RNA) where: Base-Base interactions energy: -834.040 where: short stacking energy: -372.786 Base-Backbone interact. energy: -0.879 local terms energy: -374.613912 where: bonds (distance) C4'-P energy: -80.105 bonds (distance) P-C4' energy: -62.119 flat angles C4'-P-C4' energy: -77.030 flat angles P-C4'-P energy: -65.028 tors. eta vs tors. theta energy: -90.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1146.276032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.276032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.276032 (E_RNA) where: Base-Base interactions energy: -780.096 where: short stacking energy: -336.877 Base-Backbone interact. energy: 0.035 local terms energy: -366.215365 where: bonds (distance) C4'-P energy: -65.363 bonds (distance) P-C4' energy: -66.454 flat angles C4'-P-C4' energy: -86.293 flat angles P-C4'-P energy: -59.089 tors. eta vs tors. theta energy: -89.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1001.773211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.773211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.773211 (E_RNA) where: Base-Base interactions energy: -653.590 where: short stacking energy: -290.496 Base-Backbone interact. energy: -1.946 local terms energy: -346.237282 where: bonds (distance) C4'-P energy: -76.950 bonds (distance) P-C4' energy: -71.922 flat angles C4'-P-C4' energy: -86.460 flat angles P-C4'-P energy: -43.367 tors. eta vs tors. theta energy: -67.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -924.776886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.776886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.776886 (E_RNA) where: Base-Base interactions energy: -577.840 where: short stacking energy: -274.814 Base-Backbone interact. energy: -1.114 local terms energy: -345.822718 where: bonds (distance) C4'-P energy: -74.993 bonds (distance) P-C4' energy: -75.503 flat angles C4'-P-C4' energy: -75.559 flat angles P-C4'-P energy: -53.654 tors. eta vs tors. theta energy: -66.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -726.371802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.371802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.371802 (E_RNA) where: Base-Base interactions energy: -432.008 where: short stacking energy: -228.373 Base-Backbone interact. energy: -1.194 local terms energy: -293.169435 where: bonds (distance) C4'-P energy: -55.226 bonds (distance) P-C4' energy: -66.237 flat angles C4'-P-C4' energy: -73.132 flat angles P-C4'-P energy: -44.517 tors. eta vs tors. theta energy: -54.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -615.951930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.951930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.951930 (E_RNA) where: Base-Base interactions energy: -384.156 where: short stacking energy: -186.448 Base-Backbone interact. energy: -0.205 local terms energy: -231.591306 where: bonds (distance) C4'-P energy: -54.120 bonds (distance) P-C4' energy: -68.989 flat angles C4'-P-C4' energy: -64.183 flat angles P-C4'-P energy: -26.833 tors. eta vs tors. theta energy: -17.466 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: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1518.789682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.789682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.789682 (E_RNA) where: Base-Base interactions energy: -1084.567 where: short stacking energy: -418.114 Base-Backbone interact. energy: -0.984 local terms energy: -433.238177 where: bonds (distance) C4'-P energy: -82.731 bonds (distance) P-C4' energy: -82.984 flat angles C4'-P-C4' energy: -92.377 flat angles P-C4'-P energy: -59.238 tors. eta vs tors. theta energy: -115.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1455.789452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.789452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.789452 (E_RNA) where: Base-Base interactions energy: -1006.938 where: short stacking energy: -411.245 Base-Backbone interact. energy: -2.249 local terms energy: -446.601993 where: bonds (distance) C4'-P energy: -94.304 bonds (distance) P-C4' energy: -83.599 flat angles C4'-P-C4' energy: -96.883 flat angles P-C4'-P energy: -61.431 tors. eta vs tors. theta energy: -110.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1347.485757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.485757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.485757 (E_RNA) where: Base-Base interactions energy: -937.930 where: short stacking energy: -385.903 Base-Backbone interact. energy: -1.048 local terms energy: -408.507719 where: bonds (distance) C4'-P energy: -71.455 bonds (distance) P-C4' energy: -77.191 flat angles C4'-P-C4' energy: -91.084 flat angles P-C4'-P energy: -63.173 tors. eta vs tors. theta energy: -105.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1314.787580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.787580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.787580 (E_RNA) where: Base-Base interactions energy: -914.013 where: short stacking energy: -379.200 Base-Backbone interact. energy: -2.152 local terms energy: -398.623055 where: bonds (distance) C4'-P energy: -82.248 bonds (distance) P-C4' energy: -78.992 flat angles C4'-P-C4' energy: -88.723 flat angles P-C4'-P energy: -54.713 tors. eta vs tors. theta energy: -93.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1192.356144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.356144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.356144 (E_RNA) where: Base-Base interactions energy: -813.076 where: short stacking energy: -351.133 Base-Backbone interact. energy: -1.147 local terms energy: -378.133666 where: bonds (distance) C4'-P energy: -73.099 bonds (distance) P-C4' energy: -69.353 flat angles C4'-P-C4' energy: -95.292 flat angles P-C4'-P energy: -63.508 tors. eta vs tors. theta energy: -76.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1195.603440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.603440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.603440 (E_RNA) where: Base-Base interactions energy: -803.012 where: short stacking energy: -359.033 Base-Backbone interact. energy: -1.364 local terms energy: -391.227879 where: bonds (distance) C4'-P energy: -74.718 bonds (distance) P-C4' energy: -73.695 flat angles C4'-P-C4' energy: -80.358 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: -103.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1000.900132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.900132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.900132 (E_RNA) where: Base-Base interactions energy: -654.173 where: short stacking energy: -262.349 Base-Backbone interact. energy: -0.396 local terms energy: -346.331543 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -68.448 flat angles C4'-P-C4' energy: -76.515 flat angles P-C4'-P energy: -64.508 tors. eta vs tors. theta energy: -59.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -898.969628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.969628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.969628 (E_RNA) where: Base-Base interactions energy: -557.960 where: short stacking energy: -246.133 Base-Backbone interact. energy: -1.110 local terms energy: -339.898897 where: bonds (distance) C4'-P energy: -78.627 bonds (distance) P-C4' energy: -78.029 flat angles C4'-P-C4' energy: -77.173 flat angles P-C4'-P energy: -43.628 tors. eta vs tors. theta energy: -62.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -712.863957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.863957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.863957 (E_RNA) where: Base-Base interactions energy: -435.218 where: short stacking energy: -209.232 Base-Backbone interact. energy: -1.933 local terms energy: -275.712829 where: bonds (distance) C4'-P energy: -67.509 bonds (distance) P-C4' energy: -68.180 flat angles C4'-P-C4' energy: -72.975 flat angles P-C4'-P energy: -34.925 tors. eta vs tors. theta energy: -32.124 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: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -626.384859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.384859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.384859 (E_RNA) where: Base-Base interactions energy: -382.665 where: short stacking energy: -190.735 Base-Backbone interact. energy: -1.964 local terms energy: -241.756090 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -74.467 flat angles C4'-P-C4' energy: -64.994 flat angles P-C4'-P energy: -29.350 tors. eta vs tors. theta energy: -8.582 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: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1552.934241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.934241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.934241 (E_RNA) where: Base-Base interactions energy: -1114.983 where: short stacking energy: -438.924 Base-Backbone interact. energy: -2.463 local terms energy: -435.488868 where: bonds (distance) C4'-P energy: -81.551 bonds (distance) P-C4' energy: -80.572 flat angles C4'-P-C4' energy: -95.554 flat angles P-C4'-P energy: -57.650 tors. eta vs tors. theta energy: -120.162 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: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1444.058551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.058551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.058551 (E_RNA) where: Base-Base interactions energy: -1000.504 where: short stacking energy: -422.762 Base-Backbone interact. energy: -2.022 local terms energy: -441.532151 where: bonds (distance) C4'-P energy: -81.137 bonds (distance) P-C4' energy: -83.694 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -65.498 tors. eta vs tors. theta energy: -114.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1372.320623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.320623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.320623 (E_RNA) where: Base-Base interactions energy: -956.857 where: short stacking energy: -398.734 Base-Backbone interact. energy: -3.378 local terms energy: -412.084998 where: bonds (distance) C4'-P energy: -75.964 bonds (distance) P-C4' energy: -81.782 flat angles C4'-P-C4' energy: -92.229 flat angles P-C4'-P energy: -59.457 tors. eta vs tors. theta energy: -102.653 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: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1361.808487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.808487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.808487 (E_RNA) where: Base-Base interactions energy: -977.599 where: short stacking energy: -377.066 Base-Backbone interact. energy: 1.579 local terms energy: -385.788405 where: bonds (distance) C4'-P energy: -75.766 bonds (distance) P-C4' energy: -79.496 flat angles C4'-P-C4' energy: -78.103 flat angles P-C4'-P energy: -47.877 tors. eta vs tors. theta energy: -104.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1207.765720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.765720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.765720 (E_RNA) where: Base-Base interactions energy: -837.389 where: short stacking energy: -351.227 Base-Backbone interact. energy: 0.549 local terms energy: -370.925315 where: bonds (distance) C4'-P energy: -70.143 bonds (distance) P-C4' energy: -69.305 flat angles C4'-P-C4' energy: -91.885 flat angles P-C4'-P energy: -61.030 tors. eta vs tors. theta energy: -78.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1191.170709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.170709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.170709 (E_RNA) where: Base-Base interactions energy: -813.128 where: short stacking energy: -362.390 Base-Backbone interact. energy: 4.396 local terms energy: -382.438822 where: bonds (distance) C4'-P energy: -63.391 bonds (distance) P-C4' energy: -80.296 flat angles C4'-P-C4' energy: -87.527 flat angles P-C4'-P energy: -54.240 tors. eta vs tors. theta energy: -96.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -965.510900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.510900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.510900 (E_RNA) where: Base-Base interactions energy: -620.305 where: short stacking energy: -286.439 Base-Backbone interact. energy: -0.945 local terms energy: -344.260490 where: bonds (distance) C4'-P energy: -75.498 bonds (distance) P-C4' energy: -88.430 flat angles C4'-P-C4' energy: -71.054 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -63.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -890.568002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.568002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.568002 (E_RNA) where: Base-Base interactions energy: -585.379 where: short stacking energy: -255.173 Base-Backbone interact. energy: -0.505 local terms energy: -304.684279 where: bonds (distance) C4'-P energy: -60.171 bonds (distance) P-C4' energy: -86.033 flat angles C4'-P-C4' energy: -72.097 flat angles P-C4'-P energy: -41.495 tors. eta vs tors. theta energy: -44.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -734.923965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.923965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.923965 (E_RNA) where: Base-Base interactions energy: -435.765 where: short stacking energy: -219.760 Base-Backbone interact. energy: 0.400 local terms energy: -299.559463 where: bonds (distance) C4'-P energy: -70.983 bonds (distance) P-C4' energy: -78.748 flat angles C4'-P-C4' energy: -58.592 flat angles P-C4'-P energy: -50.328 tors. eta vs tors. theta energy: -40.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -661.404957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.404957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.404957 (E_RNA) where: Base-Base interactions energy: -398.597 where: short stacking energy: -166.211 Base-Backbone interact. energy: -0.334 local terms energy: -262.474449 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -78.261 flat angles C4'-P-C4' energy: -70.340 flat angles P-C4'-P energy: -27.990 tors. eta vs tors. theta energy: -25.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1576.942167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.942167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.942167 (E_RNA) where: Base-Base interactions energy: -1125.640 where: short stacking energy: -440.466 Base-Backbone interact. energy: -1.478 local terms energy: -449.824647 where: bonds (distance) C4'-P energy: -77.013 bonds (distance) P-C4' energy: -89.082 flat angles C4'-P-C4' energy: -97.004 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -123.066 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: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1469.097641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.097641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.097641 (E_RNA) where: Base-Base interactions energy: -1025.573 where: short stacking energy: -436.008 Base-Backbone interact. energy: -1.812 local terms energy: -441.712804 where: bonds (distance) C4'-P energy: -88.406 bonds (distance) P-C4' energy: -78.633 flat angles C4'-P-C4' energy: -93.386 flat angles P-C4'-P energy: -67.233 tors. eta vs tors. theta energy: -114.055 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: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1390.348741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.348741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.348741 (E_RNA) where: Base-Base interactions energy: -980.420 where: short stacking energy: -390.228 Base-Backbone interact. energy: -1.388 local terms energy: -408.540647 where: bonds (distance) C4'-P energy: -75.400 bonds (distance) P-C4' energy: -88.246 flat angles C4'-P-C4' energy: -88.477 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -102.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1351.465793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.465793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.465793 (E_RNA) where: Base-Base interactions energy: -936.219 where: short stacking energy: -395.890 Base-Backbone interact. energy: -1.630 local terms energy: -413.616689 where: bonds (distance) C4'-P energy: -79.801 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -82.546 flat angles P-C4'-P energy: -60.308 tors. eta vs tors. theta energy: -109.830 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: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1255.062332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.062332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.062332 (E_RNA) where: Base-Base interactions energy: -864.330 where: short stacking energy: -383.638 Base-Backbone interact. energy: -0.720 local terms energy: -390.011961 where: bonds (distance) C4'-P energy: -62.897 bonds (distance) P-C4' energy: -77.932 flat angles C4'-P-C4' energy: -90.640 flat angles P-C4'-P energy: -53.602 tors. eta vs tors. theta energy: -104.942 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: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1178.489539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.489539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.489539 (E_RNA) where: Base-Base interactions energy: -813.940 where: short stacking energy: -339.572 Base-Backbone interact. energy: 3.036 local terms energy: -367.585024 where: bonds (distance) C4'-P energy: -84.798 bonds (distance) P-C4' energy: -72.563 flat angles C4'-P-C4' energy: -88.794 flat angles P-C4'-P energy: -45.458 tors. eta vs tors. theta energy: -75.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -963.406260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.406260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.406260 (E_RNA) where: Base-Base interactions energy: -655.673 where: short stacking energy: -298.293 Base-Backbone interact. energy: -0.020 local terms energy: -307.713056 where: bonds (distance) C4'-P energy: -72.840 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -64.567 flat angles P-C4'-P energy: -44.275 tors. eta vs tors. theta energy: -65.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -874.089882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.089882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.089882 (E_RNA) where: Base-Base interactions energy: -560.215 where: short stacking energy: -250.473 Base-Backbone interact. energy: 0.055 local terms energy: -313.930028 where: bonds (distance) C4'-P energy: -48.491 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -85.619 flat angles P-C4'-P energy: -44.931 tors. eta vs tors. theta energy: -62.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -734.234788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.234788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.234788 (E_RNA) where: Base-Base interactions energy: -421.525 where: short stacking energy: -201.871 Base-Backbone interact. energy: 1.484 local terms energy: -314.194335 where: bonds (distance) C4'-P energy: -74.245 bonds (distance) P-C4' energy: -79.812 flat angles C4'-P-C4' energy: -68.818 flat angles P-C4'-P energy: -55.339 tors. eta vs tors. theta energy: -35.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -607.517146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.517146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.517146 (E_RNA) where: Base-Base interactions energy: -348.797 where: short stacking energy: -164.634 Base-Backbone interact. energy: 2.481 local terms energy: -261.201450 where: bonds (distance) C4'-P energy: -69.771 bonds (distance) P-C4' energy: -71.773 flat angles C4'-P-C4' energy: -61.661 flat angles P-C4'-P energy: -34.835 tors. eta vs tors. theta energy: -23.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1548.859843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.859843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.859843 (E_RNA) where: Base-Base interactions energy: -1105.498 where: short stacking energy: -428.659 Base-Backbone interact. energy: 2.464 local terms energy: -445.825735 where: bonds (distance) C4'-P energy: -80.304 bonds (distance) P-C4' energy: -88.156 flat angles C4'-P-C4' energy: -95.170 flat angles P-C4'-P energy: -58.574 tors. eta vs tors. theta energy: -123.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1465.988333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.988333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.988333 (E_RNA) where: Base-Base interactions energy: -1041.694 where: short stacking energy: -433.707 Base-Backbone interact. energy: -5.062 local terms energy: -419.231734 where: bonds (distance) C4'-P energy: -77.187 bonds (distance) P-C4' energy: -81.549 flat angles C4'-P-C4' energy: -79.207 flat angles P-C4'-P energy: -66.200 tors. eta vs tors. theta energy: -115.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1381.495675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.495675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.495675 (E_RNA) where: Base-Base interactions energy: -968.840 where: short stacking energy: -394.149 Base-Backbone interact. energy: -0.695 local terms energy: -411.960800 where: bonds (distance) C4'-P energy: -64.489 bonds (distance) P-C4' energy: -91.362 flat angles C4'-P-C4' energy: -90.926 flat angles P-C4'-P energy: -63.458 tors. eta vs tors. theta energy: -101.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1293.412352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.412352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.412352 (E_RNA) where: Base-Base interactions energy: -879.801 where: short stacking energy: -386.125 Base-Backbone interact. energy: -0.780 local terms energy: -412.831988 where: bonds (distance) C4'-P energy: -63.686 bonds (distance) P-C4' energy: -89.229 flat angles C4'-P-C4' energy: -86.796 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -111.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1330.005512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.005512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.005512 (E_RNA) where: Base-Base interactions energy: -939.568 where: short stacking energy: -392.074 Base-Backbone interact. energy: -2.925 local terms energy: -387.512699 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -60.456 flat angles C4'-P-C4' energy: -87.573 flat angles P-C4'-P energy: -61.731 tors. eta vs tors. theta energy: -101.891 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: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1166.488359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.488359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.488359 (E_RNA) where: Base-Base interactions energy: -765.627 where: short stacking energy: -339.156 Base-Backbone interact. energy: -2.561 local terms energy: -398.300142 where: bonds (distance) C4'-P energy: -72.770 bonds (distance) P-C4' energy: -89.005 flat angles C4'-P-C4' energy: -92.761 flat angles P-C4'-P energy: -61.524 tors. eta vs tors. theta energy: -82.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1002.516802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.516802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.516802 (E_RNA) where: Base-Base interactions energy: -657.654 where: short stacking energy: -281.571 Base-Backbone interact. energy: -2.380 local terms energy: -342.483381 where: bonds (distance) C4'-P energy: -74.433 bonds (distance) P-C4' energy: -88.518 flat angles C4'-P-C4' energy: -73.852 flat angles P-C4'-P energy: -37.604 tors. eta vs tors. theta energy: -68.076 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: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -899.137763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.137763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.137763 (E_RNA) where: Base-Base interactions energy: -586.100 where: short stacking energy: -273.800 Base-Backbone interact. energy: 12.584 local terms energy: -325.621753 where: bonds (distance) C4'-P energy: -69.714 bonds (distance) P-C4' energy: -72.156 flat angles C4'-P-C4' energy: -73.990 flat angles P-C4'-P energy: -49.420 tors. eta vs tors. theta energy: -60.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -734.687654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.687654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.687654 (E_RNA) where: Base-Base interactions energy: -435.810 where: short stacking energy: -205.004 Base-Backbone interact. energy: 1.488 local terms energy: -300.365050 where: bonds (distance) C4'-P energy: -69.210 bonds (distance) P-C4' energy: -78.237 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -35.618 tors. eta vs tors. theta energy: -46.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -573.403132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.403132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.403132 (E_RNA) where: Base-Base interactions energy: -334.203 where: short stacking energy: -168.999 Base-Backbone interact. energy: 3.043 local terms energy: -242.243334 where: bonds (distance) C4'-P energy: -71.027 bonds (distance) P-C4' energy: -67.120 flat angles C4'-P-C4' energy: -73.545 flat angles P-C4'-P energy: -27.197 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1567.531725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.531725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.531725 (E_RNA) where: Base-Base interactions energy: -1113.983 where: short stacking energy: -424.183 Base-Backbone interact. energy: -5.569 local terms energy: -447.979740 where: bonds (distance) C4'-P energy: -77.556 bonds (distance) P-C4' energy: -87.836 flat angles C4'-P-C4' energy: -94.709 flat angles P-C4'-P energy: -65.203 tors. eta vs tors. theta energy: -122.676 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: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1472.016570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.016570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.016570 (E_RNA) where: Base-Base interactions energy: -1020.174 where: short stacking energy: -431.789 Base-Backbone interact. energy: -2.865 local terms energy: -448.977876 where: bonds (distance) C4'-P energy: -92.373 bonds (distance) P-C4' energy: -86.789 flat angles C4'-P-C4' energy: -93.648 flat angles P-C4'-P energy: -58.071 tors. eta vs tors. theta energy: -118.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1366.648358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.648358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.648358 (E_RNA) where: Base-Base interactions energy: -930.916 where: short stacking energy: -410.362 Base-Backbone interact. energy: -1.029 local terms energy: -434.703277 where: bonds (distance) C4'-P energy: -84.335 bonds (distance) P-C4' energy: -82.581 flat angles C4'-P-C4' energy: -93.563 flat angles P-C4'-P energy: -65.096 tors. eta vs tors. theta energy: -109.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1349.497126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.497126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.497126 (E_RNA) where: Base-Base interactions energy: -951.838 where: short stacking energy: -379.734 Base-Backbone interact. energy: 0.143 local terms energy: -397.802817 where: bonds (distance) C4'-P energy: -67.585 bonds (distance) P-C4' energy: -83.624 flat angles C4'-P-C4' energy: -100.256 flat angles P-C4'-P energy: -52.758 tors. eta vs tors. theta energy: -93.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1354.019671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.019671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.019671 (E_RNA) where: Base-Base interactions energy: -955.374 where: short stacking energy: -391.127 Base-Backbone interact. energy: 1.066 local terms energy: -399.711612 where: bonds (distance) C4'-P energy: -76.624 bonds (distance) P-C4' energy: -74.056 flat angles C4'-P-C4' energy: -81.289 flat angles P-C4'-P energy: -54.055 tors. eta vs tors. theta energy: -113.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1131.259954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.259954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.259954 (E_RNA) where: Base-Base interactions energy: -761.527 where: short stacking energy: -338.186 Base-Backbone interact. energy: -1.550 local terms energy: -368.182826 where: bonds (distance) C4'-P energy: -76.220 bonds (distance) P-C4' energy: -75.777 flat angles C4'-P-C4' energy: -79.383 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -83.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -974.242805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.242805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.242805 (E_RNA) where: Base-Base interactions energy: -655.673 where: short stacking energy: -286.544 Base-Backbone interact. energy: -3.132 local terms energy: -315.437619 where: bonds (distance) C4'-P energy: -72.509 bonds (distance) P-C4' energy: -68.517 flat angles C4'-P-C4' energy: -65.460 flat angles P-C4'-P energy: -46.884 tors. eta vs tors. theta energy: -62.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -897.531688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.531688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.531688 (E_RNA) where: Base-Base interactions energy: -574.222 where: short stacking energy: -281.562 Base-Backbone interact. energy: -0.059 local terms energy: -323.251214 where: bonds (distance) C4'-P energy: -56.824 bonds (distance) P-C4' energy: -66.274 flat angles C4'-P-C4' energy: -88.018 flat angles P-C4'-P energy: -48.300 tors. eta vs tors. theta energy: -63.835 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: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -774.653312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.653312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.653312 (E_RNA) where: Base-Base interactions energy: -457.940 where: short stacking energy: -224.718 Base-Backbone interact. energy: -0.326 local terms energy: -316.387172 where: bonds (distance) C4'-P energy: -78.501 bonds (distance) P-C4' energy: -76.361 flat angles C4'-P-C4' energy: -66.286 flat angles P-C4'-P energy: -41.298 tors. eta vs tors. theta energy: -53.941 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: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -601.668049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.668049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.668049 (E_RNA) where: Base-Base interactions energy: -332.884 where: short stacking energy: -158.941 Base-Backbone interact. energy: -2.920 local terms energy: -265.864273 where: bonds (distance) C4'-P energy: -73.610 bonds (distance) P-C4' energy: -83.824 flat angles C4'-P-C4' energy: -62.787 flat angles P-C4'-P energy: -29.235 tors. eta vs tors. theta energy: -16.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1563.705673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.705673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.705673 (E_RNA) where: Base-Base interactions energy: -1109.813 where: short stacking energy: -429.635 Base-Backbone interact. energy: -2.848 local terms energy: -451.044709 where: bonds (distance) C4'-P energy: -88.795 bonds (distance) P-C4' energy: -78.780 flat angles C4'-P-C4' energy: -90.181 flat angles P-C4'-P energy: -69.096 tors. eta vs tors. theta energy: -124.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1451.941711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.941711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.941711 (E_RNA) where: Base-Base interactions energy: -997.901 where: short stacking energy: -419.689 Base-Backbone interact. energy: -4.612 local terms energy: -449.429313 where: bonds (distance) C4'-P energy: -83.360 bonds (distance) P-C4' energy: -93.201 flat angles C4'-P-C4' energy: -93.408 flat angles P-C4'-P energy: -65.557 tors. eta vs tors. theta energy: -113.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1382.295831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.295831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.295831 (E_RNA) where: Base-Base interactions energy: -934.221 where: short stacking energy: -415.644 Base-Backbone interact. energy: -1.003 local terms energy: -447.071853 where: bonds (distance) C4'-P energy: -79.700 bonds (distance) P-C4' energy: -90.246 flat angles C4'-P-C4' energy: -85.139 flat angles P-C4'-P energy: -65.020 tors. eta vs tors. theta energy: -126.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1365.848502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.848502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.848502 (E_RNA) where: Base-Base interactions energy: -941.313 where: short stacking energy: -389.349 Base-Backbone interact. energy: -1.707 local terms energy: -422.827892 where: bonds (distance) C4'-P energy: -83.320 bonds (distance) P-C4' energy: -85.801 flat angles C4'-P-C4' energy: -92.109 flat angles P-C4'-P energy: -52.857 tors. eta vs tors. theta energy: -108.741 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: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1313.106102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.106102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.106102 (E_RNA) where: Base-Base interactions energy: -929.319 where: short stacking energy: -371.460 Base-Backbone interact. energy: -0.101 local terms energy: -383.685800 where: bonds (distance) C4'-P energy: -66.992 bonds (distance) P-C4' energy: -69.255 flat angles C4'-P-C4' energy: -87.106 flat angles P-C4'-P energy: -59.716 tors. eta vs tors. theta energy: -100.617 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: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1164.474161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.474161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.474161 (E_RNA) where: Base-Base interactions energy: -787.913 where: short stacking energy: -318.550 Base-Backbone interact. energy: -0.661 local terms energy: -375.900226 where: bonds (distance) C4'-P energy: -77.298 bonds (distance) P-C4' energy: -77.168 flat angles C4'-P-C4' energy: -84.334 flat angles P-C4'-P energy: -50.400 tors. eta vs tors. theta energy: -86.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1018.787189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.787189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.787189 (E_RNA) where: Base-Base interactions energy: -667.883 where: short stacking energy: -296.520 Base-Backbone interact. energy: -2.879 local terms energy: -348.025993 where: bonds (distance) C4'-P energy: -70.924 bonds (distance) P-C4' energy: -85.282 flat angles C4'-P-C4' energy: -80.796 flat angles P-C4'-P energy: -46.759 tors. eta vs tors. theta energy: -64.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -881.614645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.614645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.614645 (E_RNA) where: Base-Base interactions energy: -564.539 where: short stacking energy: -265.357 Base-Backbone interact. energy: -1.806 local terms energy: -315.269461 where: bonds (distance) C4'-P energy: -76.509 bonds (distance) P-C4' energy: -76.892 flat angles C4'-P-C4' energy: -68.693 flat angles P-C4'-P energy: -34.322 tors. eta vs tors. theta energy: -58.854 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: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -813.458030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.458030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.458030 (E_RNA) where: Base-Base interactions energy: -500.839 where: short stacking energy: -239.711 Base-Backbone interact. energy: -4.192 local terms energy: -308.427253 where: bonds (distance) C4'-P energy: -72.547 bonds (distance) P-C4' energy: -77.344 flat angles C4'-P-C4' energy: -71.798 flat angles P-C4'-P energy: -38.371 tors. eta vs tors. theta energy: -48.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -592.137277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.137277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.137277 (E_RNA) where: Base-Base interactions energy: -359.993 where: short stacking energy: -173.608 Base-Backbone interact. energy: -1.158 local terms energy: -230.985702 where: bonds (distance) C4'-P energy: -61.316 bonds (distance) P-C4' energy: -61.636 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -23.664 tors. eta vs tors. theta energy: -15.326 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: 194 Temperature: 0.900000 Total energy: -1567.046696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.046696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.046696 (E_RNA) where: Base-Base interactions energy: -1110.206 where: short stacking energy: -453.111 Base-Backbone interact. energy: -2.416 local terms energy: -454.424653 where: bonds (distance) C4'-P energy: -82.658 bonds (distance) P-C4' energy: -81.930 flat angles C4'-P-C4' energy: -99.921 flat angles P-C4'-P energy: -62.829 tors. eta vs tors. theta energy: -127.087 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: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1463.074541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.074541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.074541 (E_RNA) where: Base-Base interactions energy: -1035.937 where: short stacking energy: -417.481 Base-Backbone interact. energy: -0.733 local terms energy: -426.405095 where: bonds (distance) C4'-P energy: -82.169 bonds (distance) P-C4' energy: -87.155 flat angles C4'-P-C4' energy: -87.550 flat angles P-C4'-P energy: -56.358 tors. eta vs tors. theta energy: -113.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1393.676394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.676394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.676394 (E_RNA) where: Base-Base interactions energy: -959.262 where: short stacking energy: -403.017 Base-Backbone interact. energy: -1.165 local terms energy: -433.249083 where: bonds (distance) C4'-P energy: -75.372 bonds (distance) P-C4' energy: -83.231 flat angles C4'-P-C4' energy: -91.319 flat angles P-C4'-P energy: -61.052 tors. eta vs tors. theta energy: -122.275 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: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1396.398560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.398560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.398560 (E_RNA) where: Base-Base interactions energy: -968.153 where: short stacking energy: -409.732 Base-Backbone interact. energy: -0.669 local terms energy: -427.577252 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -88.370 flat angles C4'-P-C4' energy: -88.397 flat angles P-C4'-P energy: -63.479 tors. eta vs tors. theta energy: -117.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1340.154203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.154203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.154203 (E_RNA) where: Base-Base interactions energy: -919.358 where: short stacking energy: -373.527 Base-Backbone interact. energy: 0.405 local terms energy: -421.201318 where: bonds (distance) C4'-P energy: -77.839 bonds (distance) P-C4' energy: -86.395 flat angles C4'-P-C4' energy: -89.676 flat angles P-C4'-P energy: -66.048 tors. eta vs tors. theta energy: -101.243 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: 194 Temperature: 1.150000 Total energy: -1176.679300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.679300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.679300 (E_RNA) where: Base-Base interactions energy: -799.613 where: short stacking energy: -359.627 Base-Backbone interact. energy: -1.343 local terms energy: -375.722694 where: bonds (distance) C4'-P energy: -74.823 bonds (distance) P-C4' energy: -84.435 flat angles C4'-P-C4' energy: -73.836 flat angles P-C4'-P energy: -57.809 tors. eta vs tors. theta energy: -84.819 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: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -985.791481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.791481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.791481 (E_RNA) where: Base-Base interactions energy: -648.591 where: short stacking energy: -286.411 Base-Backbone interact. energy: -0.486 local terms energy: -336.714691 where: bonds (distance) C4'-P energy: -70.949 bonds (distance) P-C4' energy: -74.068 flat angles C4'-P-C4' energy: -79.387 flat angles P-C4'-P energy: -46.950 tors. eta vs tors. theta energy: -65.360 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: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -871.648699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.648699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.648699 (E_RNA) where: Base-Base interactions energy: -556.017 where: short stacking energy: -270.580 Base-Backbone interact. energy: -0.905 local terms energy: -314.726987 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -70.117 flat angles C4'-P-C4' energy: -67.467 flat angles P-C4'-P energy: -53.202 tors. eta vs tors. theta energy: -59.150 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: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -768.738561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.738561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.738561 (E_RNA) where: Base-Base interactions energy: -486.857 where: short stacking energy: -238.288 Base-Backbone interact. energy: -0.969 local terms energy: -280.912137 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -83.467 flat angles C4'-P-C4' energy: -63.959 flat angles P-C4'-P energy: -26.071 tors. eta vs tors. theta energy: -40.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -624.540376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.540376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.540376 (E_RNA) where: Base-Base interactions energy: -361.266 where: short stacking energy: -192.025 Base-Backbone interact. energy: -1.471 local terms energy: -261.803379 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -71.077 flat angles C4'-P-C4' energy: -69.694 flat angles P-C4'-P energy: -27.772 tors. eta vs tors. theta energy: -32.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1557.664119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.664119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.664119 (E_RNA) where: Base-Base interactions energy: -1121.595 where: short stacking energy: -432.884 Base-Backbone interact. energy: -2.390 local terms energy: -433.679093 where: bonds (distance) C4'-P energy: -83.620 bonds (distance) P-C4' energy: -82.924 flat angles C4'-P-C4' energy: -87.672 flat angles P-C4'-P energy: -53.356 tors. eta vs tors. theta energy: -126.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1438.446819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.446819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.446819 (E_RNA) where: Base-Base interactions energy: -1019.840 where: short stacking energy: -411.573 Base-Backbone interact. energy: -0.754 local terms energy: -417.852603 where: bonds (distance) C4'-P energy: -84.885 bonds (distance) P-C4' energy: -69.204 flat angles C4'-P-C4' energy: -95.898 flat angles P-C4'-P energy: -59.493 tors. eta vs tors. theta energy: -108.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1359.982473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.982473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.982473 (E_RNA) where: Base-Base interactions energy: -914.856 where: short stacking energy: -387.944 Base-Backbone interact. energy: -1.561 local terms energy: -443.565705 where: bonds (distance) C4'-P energy: -83.733 bonds (distance) P-C4' energy: -92.159 flat angles C4'-P-C4' energy: -83.740 flat angles P-C4'-P energy: -68.343 tors. eta vs tors. theta energy: -115.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1382.340740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.340740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.340740 (E_RNA) where: Base-Base interactions energy: -993.181 where: short stacking energy: -417.513 Base-Backbone interact. energy: 5.989 local terms energy: -395.148854 where: bonds (distance) C4'-P energy: -61.822 bonds (distance) P-C4' energy: -70.470 flat angles C4'-P-C4' energy: -81.038 flat angles P-C4'-P energy: -62.993 tors. eta vs tors. theta energy: -118.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1284.557523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.557523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.557523 (E_RNA) where: Base-Base interactions energy: -893.004 where: short stacking energy: -381.340 Base-Backbone interact. energy: -0.363 local terms energy: -391.191480 where: bonds (distance) C4'-P energy: -67.606 bonds (distance) P-C4' energy: -81.715 flat angles C4'-P-C4' energy: -86.996 flat angles P-C4'-P energy: -55.930 tors. eta vs tors. theta energy: -98.945 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: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1187.987840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.987840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.987840 (E_RNA) where: Base-Base interactions energy: -819.238 where: short stacking energy: -361.236 Base-Backbone interact. energy: -0.289 local terms energy: -368.461032 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -74.866 flat angles C4'-P-C4' energy: -89.969 flat angles P-C4'-P energy: -41.311 tors. eta vs tors. theta energy: -98.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -953.095507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.095507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.095507 (E_RNA) where: Base-Base interactions energy: -612.542 where: short stacking energy: -252.005 Base-Backbone interact. energy: -1.575 local terms energy: -338.978079 where: bonds (distance) C4'-P energy: -84.392 bonds (distance) P-C4' energy: -68.140 flat angles C4'-P-C4' energy: -77.869 flat angles P-C4'-P energy: -55.204 tors. eta vs tors. theta energy: -53.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -868.993427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.993427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.993427 (E_RNA) where: Base-Base interactions energy: -583.800 where: short stacking energy: -262.520 Base-Backbone interact. energy: 3.556 local terms energy: -288.750092 where: bonds (distance) C4'-P energy: -65.057 bonds (distance) P-C4' energy: -66.956 flat angles C4'-P-C4' energy: -68.230 flat angles P-C4'-P energy: -51.410 tors. eta vs tors. theta energy: -37.097 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: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -692.843222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.843222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.843222 (E_RNA) where: Base-Base interactions energy: -430.932 where: short stacking energy: -205.011 Base-Backbone interact. energy: -1.489 local terms energy: -260.421979 where: bonds (distance) C4'-P energy: -60.958 bonds (distance) P-C4' energy: -55.456 flat angles C4'-P-C4' energy: -73.631 flat angles P-C4'-P energy: -37.377 tors. eta vs tors. theta energy: -33.000 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: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -637.502121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.502121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.502121 (E_RNA) where: Base-Base interactions energy: -363.912 where: short stacking energy: -176.725 Base-Backbone interact. energy: -2.053 local terms energy: -271.536935 where: bonds (distance) C4'-P energy: -67.613 bonds (distance) P-C4' energy: -69.733 flat angles C4'-P-C4' energy: -69.804 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: -18.802 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: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1566.370887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.370887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.370887 (E_RNA) where: Base-Base interactions energy: -1103.074 where: short stacking energy: -435.130 Base-Backbone interact. energy: -2.571 local terms energy: -460.726528 where: bonds (distance) C4'-P energy: -90.202 bonds (distance) P-C4' energy: -78.779 flat angles C4'-P-C4' energy: -100.450 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -128.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1451.884842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.884842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.884842 (E_RNA) where: Base-Base interactions energy: -1021.746 where: short stacking energy: -429.517 Base-Backbone interact. energy: 0.045 local terms energy: -430.183452 where: bonds (distance) C4'-P energy: -72.092 bonds (distance) P-C4' energy: -76.067 flat angles C4'-P-C4' energy: -91.508 flat angles P-C4'-P energy: -65.502 tors. eta vs tors. theta energy: -125.014 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: 9 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1403.527265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.527265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.527265 (E_RNA) where: Base-Base interactions energy: -986.958 where: short stacking energy: -426.367 Base-Backbone interact. energy: -2.625 local terms energy: -413.943872 where: bonds (distance) C4'-P energy: -60.024 bonds (distance) P-C4' energy: -85.846 flat angles C4'-P-C4' energy: -95.325 flat angles P-C4'-P energy: -58.022 tors. eta vs tors. theta energy: -114.727 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: 196 Temperature: 1.050000 Total energy: -1311.048328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.048328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.048328 (E_RNA) where: Base-Base interactions energy: -911.536 where: short stacking energy: -398.808 Base-Backbone interact. energy: -0.399 local terms energy: -399.114159 where: bonds (distance) C4'-P energy: -80.272 bonds (distance) P-C4' energy: -83.524 flat angles C4'-P-C4' energy: -82.341 flat angles P-C4'-P energy: -44.717 tors. eta vs tors. theta energy: -108.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1286.587777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.587777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.587777 (E_RNA) where: Base-Base interactions energy: -892.663 where: short stacking energy: -403.764 Base-Backbone interact. energy: -0.078 local terms energy: -393.847240 where: bonds (distance) C4'-P energy: -54.454 bonds (distance) P-C4' energy: -76.636 flat angles C4'-P-C4' energy: -85.880 flat angles P-C4'-P energy: -65.688 tors. eta vs tors. theta energy: -111.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1207.357085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.357085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.357085 (E_RNA) where: Base-Base interactions energy: -835.795 where: short stacking energy: -354.585 Base-Backbone interact. energy: -0.934 local terms energy: -370.627531 where: bonds (distance) C4'-P energy: -78.116 bonds (distance) P-C4' energy: -74.386 flat angles C4'-P-C4' energy: -79.490 flat angles P-C4'-P energy: -54.200 tors. eta vs tors. theta energy: -84.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -962.869876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.869876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.869876 (E_RNA) where: Base-Base interactions energy: -623.911 where: short stacking energy: -295.256 Base-Backbone interact. energy: -0.849 local terms energy: -338.109639 where: bonds (distance) C4'-P energy: -65.644 bonds (distance) P-C4' energy: -66.119 flat angles C4'-P-C4' energy: -77.239 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -76.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -934.848921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.848921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.848921 (E_RNA) where: Base-Base interactions energy: -619.084 where: short stacking energy: -263.989 Base-Backbone interact. energy: -0.847 local terms energy: -314.917832 where: bonds (distance) C4'-P energy: -63.218 bonds (distance) P-C4' energy: -80.586 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -41.990 tors. eta vs tors. theta energy: -57.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -711.996954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.996954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.996954 (E_RNA) where: Base-Base interactions energy: -416.638 where: short stacking energy: -214.946 Base-Backbone interact. energy: 0.003 local terms energy: -295.361404 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -82.402 flat angles C4'-P-C4' energy: -68.132 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -33.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -630.146066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.146066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.146066 (E_RNA) where: Base-Base interactions energy: -357.094 where: short stacking energy: -196.962 Base-Backbone interact. energy: 0.330 local terms energy: -273.382630 where: bonds (distance) C4'-P energy: -59.406 bonds (distance) P-C4' energy: -72.048 flat angles C4'-P-C4' energy: -65.180 flat angles P-C4'-P energy: -38.405 tors. eta vs tors. theta energy: -38.344 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: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1558.436830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.436830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.436830 (E_RNA) where: Base-Base interactions energy: -1115.188 where: short stacking energy: -426.752 Base-Backbone interact. energy: -0.499 local terms energy: -442.749755 where: bonds (distance) C4'-P energy: -79.443 bonds (distance) P-C4' energy: -83.326 flat angles C4'-P-C4' energy: -90.191 flat angles P-C4'-P energy: -68.943 tors. eta vs tors. theta energy: -120.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1465.530100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.530100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.530100 (E_RNA) where: Base-Base interactions energy: -1034.904 where: short stacking energy: -428.936 Base-Backbone interact. energy: -1.263 local terms energy: -429.362795 where: bonds (distance) C4'-P energy: -79.048 bonds (distance) P-C4' energy: -90.841 flat angles C4'-P-C4' energy: -93.708 flat angles P-C4'-P energy: -49.965 tors. eta vs tors. theta energy: -115.801 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: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1408.853552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.853552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.853552 (E_RNA) where: Base-Base interactions energy: -989.614 where: short stacking energy: -424.686 Base-Backbone interact. energy: 0.425 local terms energy: -419.664074 where: bonds (distance) C4'-P energy: -78.864 bonds (distance) P-C4' energy: -79.886 flat angles C4'-P-C4' energy: -89.741 flat angles P-C4'-P energy: -53.966 tors. eta vs tors. theta energy: -117.207 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: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1352.462461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.462461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.462461 (E_RNA) where: Base-Base interactions energy: -921.279 where: short stacking energy: -414.109 Base-Backbone interact. energy: -0.852 local terms energy: -430.332050 where: bonds (distance) C4'-P energy: -75.648 bonds (distance) P-C4' energy: -86.731 flat angles C4'-P-C4' energy: -96.852 flat angles P-C4'-P energy: -48.403 tors. eta vs tors. theta energy: -122.698 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: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1244.973327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.973327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.973327 (E_RNA) where: Base-Base interactions energy: -842.420 where: short stacking energy: -342.942 Base-Backbone interact. energy: -1.391 local terms energy: -401.161815 where: bonds (distance) C4'-P energy: -79.957 bonds (distance) P-C4' energy: -84.302 flat angles C4'-P-C4' energy: -82.121 flat angles P-C4'-P energy: -64.537 tors. eta vs tors. theta energy: -90.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1249.949281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.949281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.949281 (E_RNA) where: Base-Base interactions energy: -887.404 where: short stacking energy: -372.937 Base-Backbone interact. energy: 0.009 local terms energy: -362.553364 where: bonds (distance) C4'-P energy: -68.594 bonds (distance) P-C4' energy: -67.757 flat angles C4'-P-C4' energy: -77.346 flat angles P-C4'-P energy: -57.290 tors. eta vs tors. theta energy: -91.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1001.448966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.448966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.448966 (E_RNA) where: Base-Base interactions energy: -642.727 where: short stacking energy: -314.261 Base-Backbone interact. energy: -1.243 local terms energy: -357.479815 where: bonds (distance) C4'-P energy: -73.433 bonds (distance) P-C4' energy: -72.026 flat angles C4'-P-C4' energy: -85.295 flat angles P-C4'-P energy: -53.784 tors. eta vs tors. theta energy: -72.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -917.632135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.632135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.632135 (E_RNA) where: Base-Base interactions energy: -617.822 where: short stacking energy: -268.605 Base-Backbone interact. energy: -0.714 local terms energy: -299.096634 where: bonds (distance) C4'-P energy: -62.405 bonds (distance) P-C4' energy: -67.467 flat angles C4'-P-C4' energy: -76.100 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -43.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -762.498742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.498742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.498742 (E_RNA) where: Base-Base interactions energy: -449.297 where: short stacking energy: -230.766 Base-Backbone interact. energy: -0.585 local terms energy: -312.616267 where: bonds (distance) C4'-P energy: -73.229 bonds (distance) P-C4' energy: -82.751 flat angles C4'-P-C4' energy: -67.639 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -42.945 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: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -600.169657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.169657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.169657 (E_RNA) where: Base-Base interactions energy: -363.784 where: short stacking energy: -171.116 Base-Backbone interact. energy: 6.368 local terms energy: -242.753627 where: bonds (distance) C4'-P energy: -53.611 bonds (distance) P-C4' energy: -71.928 flat angles C4'-P-C4' energy: -56.828 flat angles P-C4'-P energy: -46.489 tors. eta vs tors. theta energy: -13.897 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: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1564.304308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.304308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.304308 (E_RNA) where: Base-Base interactions energy: -1109.391 where: short stacking energy: -437.213 Base-Backbone interact. energy: 1.320 local terms energy: -456.233754 where: bonds (distance) C4'-P energy: -98.008 bonds (distance) P-C4' energy: -78.663 flat angles C4'-P-C4' energy: -99.754 flat angles P-C4'-P energy: -55.477 tors. eta vs tors. theta energy: -124.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1474.650550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.650550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.650550 (E_RNA) where: Base-Base interactions energy: -1058.432 where: short stacking energy: -431.059 Base-Backbone interact. energy: -3.295 local terms energy: -412.923784 where: bonds (distance) C4'-P energy: -64.138 bonds (distance) P-C4' energy: -86.115 flat angles C4'-P-C4' energy: -91.784 flat angles P-C4'-P energy: -56.917 tors. eta vs tors. theta energy: -113.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1404.541515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.541515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.541515 (E_RNA) where: Base-Base interactions energy: -967.924 where: short stacking energy: -413.859 Base-Backbone interact. energy: 0.432 local terms energy: -437.049582 where: bonds (distance) C4'-P energy: -82.126 bonds (distance) P-C4' energy: -87.147 flat angles C4'-P-C4' energy: -89.517 flat angles P-C4'-P energy: -65.082 tors. eta vs tors. theta energy: -113.179 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: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1324.324691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.324691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.324691 (E_RNA) where: Base-Base interactions energy: -904.575 where: short stacking energy: -401.977 Base-Backbone interact. energy: -0.116 local terms energy: -419.633293 where: bonds (distance) C4'-P energy: -81.595 bonds (distance) P-C4' energy: -86.217 flat angles C4'-P-C4' energy: -85.901 flat angles P-C4'-P energy: -54.164 tors. eta vs tors. theta energy: -111.757 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: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1278.254139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.254139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.254139 (E_RNA) where: Base-Base interactions energy: -896.197 where: short stacking energy: -365.912 Base-Backbone interact. energy: 0.093 local terms energy: -382.150048 where: bonds (distance) C4'-P energy: -72.175 bonds (distance) P-C4' energy: -81.257 flat angles C4'-P-C4' energy: -80.018 flat angles P-C4'-P energy: -56.876 tors. eta vs tors. theta energy: -91.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1208.772009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.772009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.772009 (E_RNA) where: Base-Base interactions energy: -827.872 where: short stacking energy: -350.155 Base-Backbone interact. energy: -1.709 local terms energy: -379.244687 where: bonds (distance) C4'-P energy: -72.633 bonds (distance) P-C4' energy: -72.743 flat angles C4'-P-C4' energy: -82.804 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -93.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -979.086232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.086232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.086232 (E_RNA) where: Base-Base interactions energy: -632.381 where: short stacking energy: -298.156 Base-Backbone interact. energy: -0.635 local terms energy: -346.070044 where: bonds (distance) C4'-P energy: -78.369 bonds (distance) P-C4' energy: -80.193 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -66.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -934.214062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.214062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.214062 (E_RNA) where: Base-Base interactions energy: -615.869 where: short stacking energy: -274.306 Base-Backbone interact. energy: 0.393 local terms energy: -318.737995 where: bonds (distance) C4'-P energy: -64.873 bonds (distance) P-C4' energy: -68.155 flat angles C4'-P-C4' energy: -67.363 flat angles P-C4'-P energy: -55.848 tors. eta vs tors. theta energy: -62.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -746.650486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.650486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.650486 (E_RNA) where: Base-Base interactions energy: -461.023 where: short stacking energy: -216.830 Base-Backbone interact. energy: -1.492 local terms energy: -284.134961 where: bonds (distance) C4'-P energy: -73.525 bonds (distance) P-C4' energy: -72.847 flat angles C4'-P-C4' energy: -74.642 flat angles P-C4'-P energy: -32.371 tors. eta vs tors. theta energy: -30.751 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: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -584.487955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.487955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.487955 (E_RNA) where: Base-Base interactions energy: -343.757 where: short stacking energy: -150.843 Base-Backbone interact. energy: 3.983 local terms energy: -244.713817 where: bonds (distance) C4'-P energy: -51.037 bonds (distance) P-C4' energy: -81.489 flat angles C4'-P-C4' energy: -62.014 flat angles P-C4'-P energy: -42.920 tors. eta vs tors. theta energy: -7.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1551.520437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.520437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.520437 (E_RNA) where: Base-Base interactions energy: -1109.850 where: short stacking energy: -444.935 Base-Backbone interact. energy: -0.595 local terms energy: -441.075169 where: bonds (distance) C4'-P energy: -80.527 bonds (distance) P-C4' energy: -84.229 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -61.336 tors. eta vs tors. theta energy: -121.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1455.516020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.516020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.516020 (E_RNA) where: Base-Base interactions energy: -1038.633 where: short stacking energy: -416.794 Base-Backbone interact. energy: -2.534 local terms energy: -414.348312 where: bonds (distance) C4'-P energy: -77.499 bonds (distance) P-C4' energy: -81.212 flat angles C4'-P-C4' energy: -95.853 flat angles P-C4'-P energy: -56.894 tors. eta vs tors. theta energy: -102.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1420.643211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.643211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.643211 (E_RNA) where: Base-Base interactions energy: -975.699 where: short stacking energy: -425.203 Base-Backbone interact. energy: -0.961 local terms energy: -443.982751 where: bonds (distance) C4'-P energy: -83.590 bonds (distance) P-C4' energy: -67.666 flat angles C4'-P-C4' energy: -101.654 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -123.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1308.993809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.993809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.993809 (E_RNA) where: Base-Base interactions energy: -928.746 where: short stacking energy: -388.116 Base-Backbone interact. energy: 0.122 local terms energy: -380.369597 where: bonds (distance) C4'-P energy: -72.743 bonds (distance) P-C4' energy: -74.077 flat angles C4'-P-C4' energy: -85.315 flat angles P-C4'-P energy: -51.507 tors. eta vs tors. theta energy: -96.727 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: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1256.600794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.600794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.600794 (E_RNA) where: Base-Base interactions energy: -853.954 where: short stacking energy: -400.704 Base-Backbone interact. energy: -1.610 local terms energy: -401.036846 where: bonds (distance) C4'-P energy: -71.031 bonds (distance) P-C4' energy: -70.461 flat angles C4'-P-C4' energy: -87.973 flat angles P-C4'-P energy: -58.086 tors. eta vs tors. theta energy: -113.485 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: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1165.981124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.981124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.981124 (E_RNA) where: Base-Base interactions energy: -800.290 where: short stacking energy: -357.863 Base-Backbone interact. energy: -1.178 local terms energy: -364.512277 where: bonds (distance) C4'-P energy: -62.910 bonds (distance) P-C4' energy: -77.368 flat angles C4'-P-C4' energy: -81.624 flat angles P-C4'-P energy: -44.868 tors. eta vs tors. theta energy: -97.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -968.841307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.841307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.841307 (E_RNA) where: Base-Base interactions energy: -629.940 where: short stacking energy: -308.136 Base-Backbone interact. energy: 0.394 local terms energy: -339.295050 where: bonds (distance) C4'-P energy: -65.510 bonds (distance) P-C4' energy: -85.542 flat angles C4'-P-C4' energy: -71.843 flat angles P-C4'-P energy: -42.218 tors. eta vs tors. theta energy: -74.182 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: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -904.278911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.278911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.278911 (E_RNA) where: Base-Base interactions energy: -599.399 where: short stacking energy: -272.901 Base-Backbone interact. energy: 1.017 local terms energy: -305.896607 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -70.326 flat angles C4'-P-C4' energy: -79.251 flat angles P-C4'-P energy: -40.522 tors. eta vs tors. theta energy: -57.993 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: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -742.107186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.107186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.107186 (E_RNA) where: Base-Base interactions energy: -439.773 where: short stacking energy: -224.675 Base-Backbone interact. energy: 1.180 local terms energy: -303.513883 where: bonds (distance) C4'-P energy: -58.274 bonds (distance) P-C4' energy: -78.397 flat angles C4'-P-C4' energy: -79.258 flat angles P-C4'-P energy: -43.323 tors. eta vs tors. theta energy: -44.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -632.802047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.802047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.802047 (E_RNA) where: Base-Base interactions energy: -365.548 where: short stacking energy: -166.084 Base-Backbone interact. energy: 1.644 local terms energy: -268.898182 where: bonds (distance) C4'-P energy: -66.692 bonds (distance) P-C4' energy: -60.402 flat angles C4'-P-C4' energy: -62.418 flat angles P-C4'-P energy: -51.689 tors. eta vs tors. theta energy: -27.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1552.356063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.356063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.356063 (E_RNA) where: Base-Base interactions energy: -1115.900 where: short stacking energy: -439.878 Base-Backbone interact. energy: 0.515 local terms energy: -436.971532 where: bonds (distance) C4'-P energy: -85.252 bonds (distance) P-C4' energy: -72.228 flat angles C4'-P-C4' energy: -86.879 flat angles P-C4'-P energy: -66.576 tors. eta vs tors. theta energy: -126.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1464.738854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.738854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.738854 (E_RNA) where: Base-Base interactions energy: -1039.529 where: short stacking energy: -408.060 Base-Backbone interact. energy: -1.463 local terms energy: -423.747091 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -73.849 flat angles C4'-P-C4' energy: -94.981 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -114.483 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: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1405.104876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.104876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.104876 (E_RNA) where: Base-Base interactions energy: -973.010 where: short stacking energy: -412.346 Base-Backbone interact. energy: -2.636 local terms energy: -429.459305 where: bonds (distance) C4'-P energy: -76.525 bonds (distance) P-C4' energy: -76.938 flat angles C4'-P-C4' energy: -96.763 flat angles P-C4'-P energy: -59.193 tors. eta vs tors. theta energy: -120.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1313.735707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.735707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.735707 (E_RNA) where: Base-Base interactions energy: -924.803 where: short stacking energy: -382.255 Base-Backbone interact. energy: -0.099 local terms energy: -388.832956 where: bonds (distance) C4'-P energy: -73.503 bonds (distance) P-C4' energy: -81.770 flat angles C4'-P-C4' energy: -87.615 flat angles P-C4'-P energy: -51.772 tors. eta vs tors. theta energy: -94.173 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: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1262.617098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.617098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.617098 (E_RNA) where: Base-Base interactions energy: -854.153 where: short stacking energy: -390.635 Base-Backbone interact. energy: 0.636 local terms energy: -409.099546 where: bonds (distance) C4'-P energy: -78.595 bonds (distance) P-C4' energy: -67.665 flat angles C4'-P-C4' energy: -92.172 flat angles P-C4'-P energy: -55.658 tors. eta vs tors. theta energy: -115.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1163.284903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.284903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.284903 (E_RNA) where: Base-Base interactions energy: -817.018 where: short stacking energy: -349.658 Base-Backbone interact. energy: 0.133 local terms energy: -346.400303 where: bonds (distance) C4'-P energy: -66.857 bonds (distance) P-C4' energy: -71.564 flat angles C4'-P-C4' energy: -81.336 flat angles P-C4'-P energy: -56.509 tors. eta vs tors. theta energy: -70.134 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: 8 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -945.022395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.022395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.022395 (E_RNA) where: Base-Base interactions energy: -606.886 where: short stacking energy: -277.723 Base-Backbone interact. energy: -1.598 local terms energy: -336.538340 where: bonds (distance) C4'-P energy: -64.507 bonds (distance) P-C4' energy: -81.526 flat angles C4'-P-C4' energy: -67.705 flat angles P-C4'-P energy: -45.784 tors. eta vs tors. theta energy: -77.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -854.471318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.471318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.471318 (E_RNA) where: Base-Base interactions energy: -567.236 where: short stacking energy: -225.461 Base-Backbone interact. energy: -0.049 local terms energy: -287.186245 where: bonds (distance) C4'-P energy: -63.524 bonds (distance) P-C4' energy: -67.086 flat angles C4'-P-C4' energy: -75.861 flat angles P-C4'-P energy: -39.046 tors. eta vs tors. theta energy: -41.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -771.131006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.131006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.131006 (E_RNA) where: Base-Base interactions energy: -476.283 where: short stacking energy: -229.550 Base-Backbone interact. energy: 0.315 local terms energy: -295.163383 where: bonds (distance) C4'-P energy: -69.901 bonds (distance) P-C4' energy: -73.719 flat angles C4'-P-C4' energy: -74.366 flat angles P-C4'-P energy: -38.754 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -642.462988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.462988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.462988 (E_RNA) where: Base-Base interactions energy: -361.609 where: short stacking energy: -164.769 Base-Backbone interact. energy: -1.555 local terms energy: -279.299774 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -75.438 flat angles C4'-P-C4' energy: -68.219 flat angles P-C4'-P energy: -55.707 tors. eta vs tors. theta energy: -13.304 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: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1534.621956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.621956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.621956 (E_RNA) where: Base-Base interactions energy: -1082.708 where: short stacking energy: -429.670 Base-Backbone interact. energy: 3.386 local terms energy: -455.300165 where: bonds (distance) C4'-P energy: -89.988 bonds (distance) P-C4' energy: -84.991 flat angles C4'-P-C4' energy: -89.660 flat angles P-C4'-P energy: -65.909 tors. eta vs tors. theta energy: -124.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1475.201222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.201222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.201222 (E_RNA) where: Base-Base interactions energy: -1038.638 where: short stacking energy: -428.342 Base-Backbone interact. energy: 0.342 local terms energy: -436.904933 where: bonds (distance) C4'-P energy: -83.404 bonds (distance) P-C4' energy: -83.217 flat angles C4'-P-C4' energy: -92.460 flat angles P-C4'-P energy: -62.431 tors. eta vs tors. theta energy: -115.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1419.599295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.599295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.599295 (E_RNA) where: Base-Base interactions energy: -978.302 where: short stacking energy: -415.302 Base-Backbone interact. energy: 0.776 local terms energy: -442.072821 where: bonds (distance) C4'-P energy: -80.728 bonds (distance) P-C4' energy: -92.233 flat angles C4'-P-C4' energy: -86.868 flat angles P-C4'-P energy: -60.973 tors. eta vs tors. theta energy: -121.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1295.447157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.447157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.447157 (E_RNA) where: Base-Base interactions energy: -917.097 where: short stacking energy: -370.684 Base-Backbone interact. energy: -0.818 local terms energy: -377.532154 where: bonds (distance) C4'-P energy: -64.459 bonds (distance) P-C4' energy: -80.990 flat angles C4'-P-C4' energy: -85.683 flat angles P-C4'-P energy: -51.826 tors. eta vs tors. theta energy: -94.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1237.884916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.884916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.884916 (E_RNA) where: Base-Base interactions energy: -842.968 where: short stacking energy: -375.147 Base-Backbone interact. energy: -1.857 local terms energy: -393.060414 where: bonds (distance) C4'-P energy: -78.196 bonds (distance) P-C4' energy: -74.797 flat angles C4'-P-C4' energy: -83.154 flat angles P-C4'-P energy: -52.192 tors. eta vs tors. theta energy: -104.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1181.272796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.272796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.272796 (E_RNA) where: Base-Base interactions energy: -820.585 where: short stacking energy: -342.823 Base-Backbone interact. energy: -1.032 local terms energy: -359.655644 where: bonds (distance) C4'-P energy: -71.210 bonds (distance) P-C4' energy: -78.067 flat angles C4'-P-C4' energy: -73.814 flat angles P-C4'-P energy: -49.965 tors. eta vs tors. theta energy: -86.600 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: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -946.597736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.597736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.597736 (E_RNA) where: Base-Base interactions energy: -585.871 where: short stacking energy: -270.046 Base-Backbone interact. energy: 1.861 local terms energy: -362.588016 where: bonds (distance) C4'-P energy: -83.652 bonds (distance) P-C4' energy: -78.079 flat angles C4'-P-C4' energy: -80.114 flat angles P-C4'-P energy: -46.954 tors. eta vs tors. theta energy: -73.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -743.254115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.254115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.254115 (E_RNA) where: Base-Base interactions energy: -430.958 where: short stacking energy: -206.867 Base-Backbone interact. energy: -1.135 local terms energy: -311.161172 where: bonds (distance) C4'-P energy: -74.664 bonds (distance) P-C4' energy: -79.551 flat angles C4'-P-C4' energy: -77.832 flat angles P-C4'-P energy: -45.514 tors. eta vs tors. theta energy: -33.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -856.086884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.086884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.086884 (E_RNA) where: Base-Base interactions energy: -574.682 where: short stacking energy: -283.060 Base-Backbone interact. energy: -0.049 local terms energy: -281.355196 where: bonds (distance) C4'-P energy: -57.165 bonds (distance) P-C4' energy: -75.915 flat angles C4'-P-C4' energy: -63.955 flat angles P-C4'-P energy: -37.624 tors. eta vs tors. theta energy: -46.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -589.953605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.953605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.953605 (E_RNA) where: Base-Base interactions energy: -339.842 where: short stacking energy: -173.616 Base-Backbone interact. energy: -0.472 local terms energy: -249.639473 where: bonds (distance) C4'-P energy: -78.583 bonds (distance) P-C4' energy: -67.471 flat angles C4'-P-C4' energy: -72.388 flat angles P-C4'-P energy: -31.703 tors. eta vs tors. theta energy: 0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1526.278097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.278097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.278097 (E_RNA) where: Base-Base interactions energy: -1088.506 where: short stacking energy: -414.182 Base-Backbone interact. energy: -1.092 local terms energy: -436.680765 where: bonds (distance) C4'-P energy: -78.450 bonds (distance) P-C4' energy: -90.250 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -53.409 tors. eta vs tors. theta energy: -118.501 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: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1472.582624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.582624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.582624 (E_RNA) where: Base-Base interactions energy: -1046.715 where: short stacking energy: -430.569 Base-Backbone interact. energy: 1.324 local terms energy: -427.192030 where: bonds (distance) C4'-P energy: -71.650 bonds (distance) P-C4' energy: -88.440 flat angles C4'-P-C4' energy: -96.854 flat angles P-C4'-P energy: -60.569 tors. eta vs tors. theta energy: -109.679 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: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1398.145439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.145439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.145439 (E_RNA) where: Base-Base interactions energy: -958.060 where: short stacking energy: -400.498 Base-Backbone interact. energy: -2.716 local terms energy: -437.369576 where: bonds (distance) C4'-P energy: -84.074 bonds (distance) P-C4' energy: -81.005 flat angles C4'-P-C4' energy: -101.340 flat angles P-C4'-P energy: -57.721 tors. eta vs tors. theta energy: -113.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1277.905776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.905776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.905776 (E_RNA) where: Base-Base interactions energy: -888.197 where: short stacking energy: -371.702 Base-Backbone interact. energy: -2.731 local terms energy: -386.978023 where: bonds (distance) C4'-P energy: -70.205 bonds (distance) P-C4' energy: -79.652 flat angles C4'-P-C4' energy: -90.043 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -99.004 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: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1203.127517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.127517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.127517 (E_RNA) where: Base-Base interactions energy: -827.350 where: short stacking energy: -353.240 Base-Backbone interact. energy: 0.115 local terms energy: -375.893107 where: bonds (distance) C4'-P energy: -64.421 bonds (distance) P-C4' energy: -87.184 flat angles C4'-P-C4' energy: -81.097 flat angles P-C4'-P energy: -60.396 tors. eta vs tors. theta energy: -82.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1178.520917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.520917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.520917 (E_RNA) where: Base-Base interactions energy: -797.041 where: short stacking energy: -340.989 Base-Backbone interact. energy: -0.885 local terms energy: -380.595564 where: bonds (distance) C4'-P energy: -67.695 bonds (distance) P-C4' energy: -76.795 flat angles C4'-P-C4' energy: -84.728 flat angles P-C4'-P energy: -57.384 tors. eta vs tors. theta energy: -93.993 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: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1004.855777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.855777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.855777 (E_RNA) where: Base-Base interactions energy: -667.054 where: short stacking energy: -296.598 Base-Backbone interact. energy: 1.005 local terms energy: -339.420534 where: bonds (distance) C4'-P energy: -78.581 bonds (distance) P-C4' energy: -79.522 flat angles C4'-P-C4' energy: -62.702 flat angles P-C4'-P energy: -48.980 tors. eta vs tors. theta energy: -69.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.613 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -797.472932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.472932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.472932 (E_RNA) where: Base-Base interactions energy: -501.674 where: short stacking energy: -240.250 Base-Backbone interact. energy: 0.722 local terms energy: -296.520677 where: bonds (distance) C4'-P energy: -61.088 bonds (distance) P-C4' energy: -79.860 flat angles C4'-P-C4' energy: -75.277 flat angles P-C4'-P energy: -38.480 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: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -828.112951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.112951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.112951 (E_RNA) where: Base-Base interactions energy: -534.020 where: short stacking energy: -230.352 Base-Backbone interact. energy: 1.576 local terms energy: -295.669112 where: bonds (distance) C4'-P energy: -68.790 bonds (distance) P-C4' energy: -69.170 flat angles C4'-P-C4' energy: -71.317 flat angles P-C4'-P energy: -46.663 tors. eta vs tors. theta energy: -39.730 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: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -625.132910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.132910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.132910 (E_RNA) where: Base-Base interactions energy: -374.752 where: short stacking energy: -193.696 Base-Backbone interact. energy: 1.024 local terms energy: -251.405655 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -67.166 flat angles C4'-P-C4' energy: -65.540 flat angles P-C4'-P energy: -22.583 tors. eta vs tors. theta energy: -29.074 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: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1543.784894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.784894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.784894 (E_RNA) where: Base-Base interactions energy: -1080.312 where: short stacking energy: -438.560 Base-Backbone interact. energy: -1.666 local terms energy: -461.806108 where: bonds (distance) C4'-P energy: -80.151 bonds (distance) P-C4' energy: -95.167 flat angles C4'-P-C4' energy: -100.975 flat angles P-C4'-P energy: -65.585 tors. eta vs tors. theta energy: -119.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1477.977576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.977576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.977576 (E_RNA) where: Base-Base interactions energy: -1049.803 where: short stacking energy: -409.932 Base-Backbone interact. energy: 2.850 local terms energy: -431.024943 where: bonds (distance) C4'-P energy: -81.470 bonds (distance) P-C4' energy: -88.115 flat angles C4'-P-C4' energy: -95.072 flat angles P-C4'-P energy: -55.685 tors. eta vs tors. theta energy: -110.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1397.780068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.780068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.780068 (E_RNA) where: Base-Base interactions energy: -982.271 where: short stacking energy: -422.099 Base-Backbone interact. energy: -1.592 local terms energy: -413.916211 where: bonds (distance) C4'-P energy: -73.324 bonds (distance) P-C4' energy: -76.840 flat angles C4'-P-C4' energy: -88.797 flat angles P-C4'-P energy: -58.044 tors. eta vs tors. theta energy: -116.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1311.380214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.380214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.380214 (E_RNA) where: Base-Base interactions energy: -886.528 where: short stacking energy: -378.203 Base-Backbone interact. energy: 0.866 local terms energy: -425.717653 where: bonds (distance) C4'-P energy: -82.958 bonds (distance) P-C4' energy: -83.831 flat angles C4'-P-C4' energy: -87.542 flat angles P-C4'-P energy: -60.915 tors. eta vs tors. theta energy: -110.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1266.403612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.403612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.403612 (E_RNA) where: Base-Base interactions energy: -867.478 where: short stacking energy: -367.613 Base-Backbone interact. energy: 1.409 local terms energy: -400.334684 where: bonds (distance) C4'-P energy: -69.778 bonds (distance) P-C4' energy: -76.126 flat angles C4'-P-C4' energy: -98.151 flat angles P-C4'-P energy: -50.507 tors. eta vs tors. theta energy: -105.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1178.630895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.630895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.630895 (E_RNA) where: Base-Base interactions energy: -800.352 where: short stacking energy: -343.249 Base-Backbone interact. energy: 0.245 local terms energy: -378.523782 where: bonds (distance) C4'-P energy: -74.569 bonds (distance) P-C4' energy: -69.913 flat angles C4'-P-C4' energy: -86.276 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -103.211 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: 7, replica: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1083.003590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.003590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.003590 (E_RNA) where: Base-Base interactions energy: -721.783 where: short stacking energy: -324.026 Base-Backbone interact. energy: -1.111 local terms energy: -360.109610 where: bonds (distance) C4'-P energy: -85.249 bonds (distance) P-C4' energy: -74.813 flat angles C4'-P-C4' energy: -75.125 flat angles P-C4'-P energy: -45.821 tors. eta vs tors. theta energy: -79.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -781.100654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.100654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.100654 (E_RNA) where: Base-Base interactions energy: -468.696 where: short stacking energy: -260.356 Base-Backbone interact. energy: 1.832 local terms energy: -314.236858 where: bonds (distance) C4'-P energy: -58.409 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -80.163 flat angles P-C4'-P energy: -50.742 tors. eta vs tors. theta energy: -60.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -788.077464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.077464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.077464 (E_RNA) where: Base-Base interactions energy: -519.027 where: short stacking energy: -238.585 Base-Backbone interact. energy: -2.899 local terms energy: -266.151961 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -64.021 flat angles C4'-P-C4' energy: -62.420 flat angles P-C4'-P energy: -34.393 tors. eta vs tors. theta energy: -41.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -645.608491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.608491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.608491 (E_RNA) where: Base-Base interactions energy: -373.476 where: short stacking energy: -191.178 Base-Backbone interact. energy: 0.413 local terms energy: -272.546089 where: bonds (distance) C4'-P energy: -77.552 bonds (distance) P-C4' energy: -85.423 flat angles C4'-P-C4' energy: -60.189 flat angles P-C4'-P energy: -23.823 tors. eta vs tors. theta energy: -25.559 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: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1532.015986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.015986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.015986 (E_RNA) where: Base-Base interactions energy: -1092.547 where: short stacking energy: -422.325 Base-Backbone interact. energy: -2.801 local terms energy: -436.667440 where: bonds (distance) C4'-P energy: -79.940 bonds (distance) P-C4' energy: -88.158 flat angles C4'-P-C4' energy: -100.010 flat angles P-C4'-P energy: -51.548 tors. eta vs tors. theta energy: -117.011 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: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1449.682763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.682763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.682763 (E_RNA) where: Base-Base interactions energy: -1030.145 where: short stacking energy: -429.626 Base-Backbone interact. energy: 1.620 local terms energy: -421.157967 where: bonds (distance) C4'-P energy: -71.422 bonds (distance) P-C4' energy: -85.468 flat angles C4'-P-C4' energy: -98.189 flat angles P-C4'-P energy: -50.147 tors. eta vs tors. theta energy: -115.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1430.837328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.837328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.837328 (E_RNA) where: Base-Base interactions energy: -1013.622 where: short stacking energy: -442.236 Base-Backbone interact. energy: -0.826 local terms energy: -416.389581 where: bonds (distance) C4'-P energy: -75.603 bonds (distance) P-C4' energy: -75.312 flat angles C4'-P-C4' energy: -87.677 flat angles P-C4'-P energy: -59.764 tors. eta vs tors. theta energy: -118.034 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: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1321.508227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.508227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.508227 (E_RNA) where: Base-Base interactions energy: -898.539 where: short stacking energy: -371.671 Base-Backbone interact. energy: 1.447 local terms energy: -424.416620 where: bonds (distance) C4'-P energy: -80.654 bonds (distance) P-C4' energy: -86.053 flat angles C4'-P-C4' energy: -86.262 flat angles P-C4'-P energy: -60.598 tors. eta vs tors. theta energy: -110.849 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: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1252.013221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.013221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.013221 (E_RNA) where: Base-Base interactions energy: -859.161 where: short stacking energy: -374.808 Base-Backbone interact. energy: -1.039 local terms energy: -391.813328 where: bonds (distance) C4'-P energy: -74.306 bonds (distance) P-C4' energy: -84.282 flat angles C4'-P-C4' energy: -79.005 flat angles P-C4'-P energy: -48.669 tors. eta vs tors. theta energy: -105.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1227.637719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.637719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.637719 (E_RNA) where: Base-Base interactions energy: -839.295 where: short stacking energy: -377.429 Base-Backbone interact. energy: -1.525 local terms energy: -386.817685 where: bonds (distance) C4'-P energy: -66.673 bonds (distance) P-C4' energy: -67.172 flat angles C4'-P-C4' energy: -81.575 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -117.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1058.942691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.942691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.942691 (E_RNA) where: Base-Base interactions energy: -702.735 where: short stacking energy: -305.675 Base-Backbone interact. energy: 1.181 local terms energy: -357.388680 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -78.093 flat angles C4'-P-C4' energy: -79.297 flat angles P-C4'-P energy: -44.125 tors. eta vs tors. theta energy: -79.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -825.544923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.544923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.544923 (E_RNA) where: Base-Base interactions energy: -492.255 where: short stacking energy: -245.483 Base-Backbone interact. energy: -0.309 local terms energy: -332.981225 where: bonds (distance) C4'-P energy: -69.388 bonds (distance) P-C4' energy: -74.856 flat angles C4'-P-C4' energy: -78.981 flat angles P-C4'-P energy: -48.248 tors. eta vs tors. theta energy: -61.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -787.849501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.849501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.849501 (E_RNA) where: Base-Base interactions energy: -505.715 where: short stacking energy: -244.802 Base-Backbone interact. energy: -1.842 local terms energy: -280.292573 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -66.476 flat angles C4'-P-C4' energy: -77.058 flat angles P-C4'-P energy: -41.359 tors. eta vs tors. theta energy: -28.911 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: 10, replica: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -638.524900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.524900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.524900 (E_RNA) where: Base-Base interactions energy: -368.608 where: short stacking energy: -166.938 Base-Backbone interact. energy: -1.936 local terms energy: -267.980747 where: bonds (distance) C4'-P energy: -57.934 bonds (distance) P-C4' energy: -73.422 flat angles C4'-P-C4' energy: -75.539 flat angles P-C4'-P energy: -40.082 tors. eta vs tors. theta energy: -21.003 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: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1538.276087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.276087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.276087 (E_RNA) where: Base-Base interactions energy: -1084.994 where: short stacking energy: -428.999 Base-Backbone interact. energy: -4.328 local terms energy: -448.953215 where: bonds (distance) C4'-P energy: -88.743 bonds (distance) P-C4' energy: -83.349 flat angles C4'-P-C4' energy: -99.655 flat angles P-C4'-P energy: -53.052 tors. eta vs tors. theta energy: -124.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1454.224933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.224933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.224933 (E_RNA) where: Base-Base interactions energy: -1024.416 where: short stacking energy: -438.495 Base-Backbone interact. energy: -3.116 local terms energy: -426.692904 where: bonds (distance) C4'-P energy: -70.482 bonds (distance) P-C4' energy: -74.581 flat angles C4'-P-C4' energy: -94.715 flat angles P-C4'-P energy: -59.372 tors. eta vs tors. theta energy: -127.543 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: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1445.337776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.337776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.337776 (E_RNA) where: Base-Base interactions energy: -1011.055 where: short stacking energy: -413.244 Base-Backbone interact. energy: 1.119 local terms energy: -435.402263 where: bonds (distance) C4'-P energy: -81.655 bonds (distance) P-C4' energy: -89.651 flat angles C4'-P-C4' energy: -86.430 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: -117.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1341.631277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.631277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.631277 (E_RNA) where: Base-Base interactions energy: -938.601 where: short stacking energy: -380.340 Base-Backbone interact. energy: 0.598 local terms energy: -403.628538 where: bonds (distance) C4'-P energy: -75.000 bonds (distance) P-C4' energy: -76.639 flat angles C4'-P-C4' energy: -95.275 flat angles P-C4'-P energy: -62.268 tors. eta vs tors. theta energy: -94.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1234.675353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.675353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.675353 (E_RNA) where: Base-Base interactions energy: -846.347 where: short stacking energy: -366.638 Base-Backbone interact. energy: -1.769 local terms energy: -386.558837 where: bonds (distance) C4'-P energy: -72.157 bonds (distance) P-C4' energy: -90.820 flat angles C4'-P-C4' energy: -84.494 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -72.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1190.065822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.065822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.065822 (E_RNA) where: Base-Base interactions energy: -805.893 where: short stacking energy: -359.260 Base-Backbone interact. energy: -0.698 local terms energy: -383.475519 where: bonds (distance) C4'-P energy: -71.863 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -82.450 flat angles P-C4'-P energy: -53.447 tors. eta vs tors. theta energy: -98.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1029.582456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.582456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.582456 (E_RNA) where: Base-Base interactions energy: -684.548 where: short stacking energy: -309.921 Base-Backbone interact. energy: 2.388 local terms energy: -347.422601 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -74.510 flat angles C4'-P-C4' energy: -83.130 flat angles P-C4'-P energy: -55.120 tors. eta vs tors. theta energy: -67.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -773.477987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.477987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.477987 (E_RNA) where: Base-Base interactions energy: -449.001 where: short stacking energy: -218.776 Base-Backbone interact. energy: 0.628 local terms energy: -325.104480 where: bonds (distance) C4'-P energy: -81.229 bonds (distance) P-C4' energy: -68.018 flat angles C4'-P-C4' energy: -75.405 flat angles P-C4'-P energy: -48.233 tors. eta vs tors. theta energy: -52.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -762.354195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.354195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.354195 (E_RNA) where: Base-Base interactions energy: -479.652 where: short stacking energy: -230.763 Base-Backbone interact. energy: 5.973 local terms energy: -288.675534 where: bonds (distance) C4'-P energy: -67.225 bonds (distance) P-C4' energy: -77.183 flat angles C4'-P-C4' energy: -60.716 flat angles P-C4'-P energy: -41.218 tors. eta vs tors. theta energy: -42.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -647.405334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.405334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.405334 (E_RNA) where: Base-Base interactions energy: -406.325 where: short stacking energy: -163.674 Base-Backbone interact. energy: -0.815 local terms energy: -240.264878 where: bonds (distance) C4'-P energy: -73.937 bonds (distance) P-C4' energy: -58.520 flat angles C4'-P-C4' energy: -50.241 flat angles P-C4'-P energy: -47.149 tors. eta vs tors. theta energy: -10.418 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: 1, replica: 7 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1547.250650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.250650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.250650 (E_RNA) where: Base-Base interactions energy: -1115.840 where: short stacking energy: -453.260 Base-Backbone interact. energy: 6.022 local terms energy: -437.432577 where: bonds (distance) C4'-P energy: -74.322 bonds (distance) P-C4' energy: -85.790 flat angles C4'-P-C4' energy: -97.493 flat angles P-C4'-P energy: -54.655 tors. eta vs tors. theta energy: -125.172 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: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1457.780248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.780248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.780248 (E_RNA) where: Base-Base interactions energy: -1025.133 where: short stacking energy: -436.682 Base-Backbone interact. energy: -3.304 local terms energy: -429.343682 where: bonds (distance) C4'-P energy: -80.385 bonds (distance) P-C4' energy: -82.117 flat angles C4'-P-C4' energy: -92.174 flat angles P-C4'-P energy: -57.874 tors. eta vs tors. theta energy: -116.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1448.729877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.729877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.729877 (E_RNA) where: Base-Base interactions energy: -1020.343 where: short stacking energy: -402.001 Base-Backbone interact. energy: -0.238 local terms energy: -428.148915 where: bonds (distance) C4'-P energy: -77.076 bonds (distance) P-C4' energy: -84.068 flat angles C4'-P-C4' energy: -96.131 flat angles P-C4'-P energy: -52.703 tors. eta vs tors. theta energy: -118.172 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: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1330.300782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.300782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.300782 (E_RNA) where: Base-Base interactions energy: -911.340 where: short stacking energy: -380.587 Base-Backbone interact. energy: -2.544 local terms energy: -416.416643 where: bonds (distance) C4'-P energy: -77.534 bonds (distance) P-C4' energy: -92.008 flat angles C4'-P-C4' energy: -83.245 flat angles P-C4'-P energy: -68.297 tors. eta vs tors. theta energy: -95.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1221.179581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.179581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.179581 (E_RNA) where: Base-Base interactions energy: -836.958 where: short stacking energy: -370.029 Base-Backbone interact. energy: -2.061 local terms energy: -382.161044 where: bonds (distance) C4'-P energy: -69.268 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -89.092 flat angles P-C4'-P energy: -63.981 tors. eta vs tors. theta energy: -89.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1180.117025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.117025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.117025 (E_RNA) where: Base-Base interactions energy: -805.367 where: short stacking energy: -333.792 Base-Backbone interact. energy: -1.711 local terms energy: -373.038985 where: bonds (distance) C4'-P energy: -70.886 bonds (distance) P-C4' energy: -81.246 flat angles C4'-P-C4' energy: -78.933 flat angles P-C4'-P energy: -56.418 tors. eta vs tors. theta energy: -85.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1036.507934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.507934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.507934 (E_RNA) where: Base-Base interactions energy: -687.055 where: short stacking energy: -298.051 Base-Backbone interact. energy: 0.411 local terms energy: -349.864789 where: bonds (distance) C4'-P energy: -65.496 bonds (distance) P-C4' energy: -71.688 flat angles C4'-P-C4' energy: -85.155 flat angles P-C4'-P energy: -51.106 tors. eta vs tors. theta energy: -76.420 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: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -771.165790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.165790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.165790 (E_RNA) where: Base-Base interactions energy: -474.621 where: short stacking energy: -237.124 Base-Backbone interact. energy: -1.069 local terms energy: -295.475745 where: bonds (distance) C4'-P energy: -67.757 bonds (distance) P-C4' energy: -76.556 flat angles C4'-P-C4' energy: -59.008 flat angles P-C4'-P energy: -45.298 tors. eta vs tors. theta energy: -46.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -764.047776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.047776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.047776 (E_RNA) where: Base-Base interactions energy: -464.014 where: short stacking energy: -215.149 Base-Backbone interact. energy: -0.703 local terms energy: -299.331126 where: bonds (distance) C4'-P energy: -78.894 bonds (distance) P-C4' energy: -71.460 flat angles C4'-P-C4' energy: -58.575 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -47.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -627.468732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.468732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.468732 (E_RNA) where: Base-Base interactions energy: -374.245 where: short stacking energy: -188.964 Base-Backbone interact. energy: 2.658 local terms energy: -255.882260 where: bonds (distance) C4'-P energy: -58.256 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -64.435 flat angles P-C4'-P energy: -43.968 tors. eta vs tors. theta energy: -21.180 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: 7 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1536.728873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.728873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.728873 (E_RNA) where: Base-Base interactions energy: -1092.372 where: short stacking energy: -423.961 Base-Backbone interact. energy: 13.492 local terms energy: -457.849005 where: bonds (distance) C4'-P energy: -81.350 bonds (distance) P-C4' energy: -89.398 flat angles C4'-P-C4' energy: -106.224 flat angles P-C4'-P energy: -57.152 tors. eta vs tors. theta energy: -123.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1472.798244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.798244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.798244 (E_RNA) where: Base-Base interactions energy: -1033.951 where: short stacking energy: -404.658 Base-Backbone interact. energy: -1.352 local terms energy: -437.494858 where: bonds (distance) C4'-P energy: -76.121 bonds (distance) P-C4' energy: -83.628 flat angles C4'-P-C4' energy: -98.708 flat angles P-C4'-P energy: -68.588 tors. eta vs tors. theta energy: -110.449 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: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1437.312247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.312247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.312247 (E_RNA) where: Base-Base interactions energy: -1006.718 where: short stacking energy: -430.436 Base-Backbone interact. energy: 1.837 local terms energy: -432.431294 where: bonds (distance) C4'-P energy: -76.429 bonds (distance) P-C4' energy: -85.911 flat angles C4'-P-C4' energy: -99.948 flat angles P-C4'-P energy: -47.851 tors. eta vs tors. theta energy: -122.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1319.138080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.138080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.138080 (E_RNA) where: Base-Base interactions energy: -902.465 where: short stacking energy: -378.309 Base-Backbone interact. energy: 1.652 local terms energy: -418.324981 where: bonds (distance) C4'-P energy: -86.035 bonds (distance) P-C4' energy: -78.414 flat angles C4'-P-C4' energy: -90.562 flat angles P-C4'-P energy: -68.593 tors. eta vs tors. theta energy: -94.722 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: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1234.130220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.130220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.130220 (E_RNA) where: Base-Base interactions energy: -849.898 where: short stacking energy: -357.947 Base-Backbone interact. energy: -1.310 local terms energy: -382.950937 where: bonds (distance) C4'-P energy: -74.968 bonds (distance) P-C4' energy: -75.776 flat angles C4'-P-C4' energy: -86.270 flat angles P-C4'-P energy: -51.786 tors. eta vs tors. theta energy: -94.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.029 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1201.954409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.954409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.954409 (E_RNA) where: Base-Base interactions energy: -814.317 where: short stacking energy: -359.022 Base-Backbone interact. energy: 0.597 local terms energy: -388.234040 where: bonds (distance) C4'-P energy: -78.615 bonds (distance) P-C4' energy: -76.385 flat angles C4'-P-C4' energy: -89.091 flat angles P-C4'-P energy: -46.618 tors. eta vs tors. theta energy: -97.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1016.434366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.434366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.434366 (E_RNA) where: Base-Base interactions energy: -660.506 where: short stacking energy: -297.150 Base-Backbone interact. energy: 1.529 local terms energy: -357.456960 where: bonds (distance) C4'-P energy: -66.790 bonds (distance) P-C4' energy: -69.473 flat angles C4'-P-C4' energy: -92.205 flat angles P-C4'-P energy: -55.671 tors. eta vs tors. theta energy: -73.317 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: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -780.381855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.381855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.381855 (E_RNA) where: Base-Base interactions energy: -480.615 where: short stacking energy: -226.115 Base-Backbone interact. energy: 0.171 local terms energy: -299.938538 where: bonds (distance) C4'-P energy: -67.476 bonds (distance) P-C4' energy: -68.184 flat angles C4'-P-C4' energy: -80.250 flat angles P-C4'-P energy: -43.357 tors. eta vs tors. theta energy: -40.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -751.638733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.638733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.638733 (E_RNA) where: Base-Base interactions energy: -466.930 where: short stacking energy: -238.770 Base-Backbone interact. energy: -1.750 local terms energy: -282.959016 where: bonds (distance) C4'-P energy: -58.195 bonds (distance) P-C4' energy: -65.047 flat angles C4'-P-C4' energy: -71.718 flat angles P-C4'-P energy: -45.120 tors. eta vs tors. theta energy: -42.879 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: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -625.819234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.819234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.819234 (E_RNA) where: Base-Base interactions energy: -382.503 where: short stacking energy: -187.257 Base-Backbone interact. energy: -2.399 local terms energy: -240.916821 where: bonds (distance) C4'-P energy: -51.606 bonds (distance) P-C4' energy: -74.982 flat angles C4'-P-C4' energy: -56.879 flat angles P-C4'-P energy: -33.211 tors. eta vs tors. theta energy: -24.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1556.132367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.132367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.132367 (E_RNA) where: Base-Base interactions energy: -1113.557 where: short stacking energy: -439.815 Base-Backbone interact. energy: 3.912 local terms energy: -446.488215 where: bonds (distance) C4'-P energy: -87.806 bonds (distance) P-C4' energy: -84.759 flat angles C4'-P-C4' energy: -100.905 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -125.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1462.546312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.546312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.546312 (E_RNA) where: Base-Base interactions energy: -1054.052 where: short stacking energy: -426.063 Base-Backbone interact. energy: -0.415 local terms energy: -408.078689 where: bonds (distance) C4'-P energy: -75.017 bonds (distance) P-C4' energy: -78.384 flat angles C4'-P-C4' energy: -87.407 flat angles P-C4'-P energy: -54.111 tors. eta vs tors. theta energy: -113.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1418.660260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.660260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.660260 (E_RNA) where: Base-Base interactions energy: -969.595 where: short stacking energy: -402.649 Base-Backbone interact. energy: 0.441 local terms energy: -449.506474 where: bonds (distance) C4'-P energy: -83.861 bonds (distance) P-C4' energy: -93.811 flat angles C4'-P-C4' energy: -91.114 flat angles P-C4'-P energy: -64.618 tors. eta vs tors. theta energy: -116.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1329.929351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.929351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.929351 (E_RNA) where: Base-Base interactions energy: -908.859 where: short stacking energy: -396.379 Base-Backbone interact. energy: -4.205 local terms energy: -416.865775 where: bonds (distance) C4'-P energy: -78.443 bonds (distance) P-C4' energy: -84.267 flat angles C4'-P-C4' energy: -87.382 flat angles P-C4'-P energy: -62.619 tors. eta vs tors. theta energy: -104.155 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: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1227.231454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.231454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.231454 (E_RNA) where: Base-Base interactions energy: -844.648 where: short stacking energy: -354.454 Base-Backbone interact. energy: 2.250 local terms energy: -384.833493 where: bonds (distance) C4'-P energy: -78.579 bonds (distance) P-C4' energy: -63.882 flat angles C4'-P-C4' energy: -85.798 flat angles P-C4'-P energy: -66.319 tors. eta vs tors. theta energy: -90.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1216.236054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.236054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.236054 (E_RNA) where: Base-Base interactions energy: -835.279 where: short stacking energy: -367.037 Base-Backbone interact. energy: -0.537 local terms energy: -380.419216 where: bonds (distance) C4'-P energy: -74.623 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -88.404 flat angles P-C4'-P energy: -60.488 tors. eta vs tors. theta energy: -95.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1029.748708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.748708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.748708 (E_RNA) where: Base-Base interactions energy: -686.466 where: short stacking energy: -293.359 Base-Backbone interact. energy: 0.900 local terms energy: -344.182224 where: bonds (distance) C4'-P energy: -76.014 bonds (distance) P-C4' energy: -79.082 flat angles C4'-P-C4' energy: -66.647 flat angles P-C4'-P energy: -52.414 tors. eta vs tors. theta energy: -70.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -771.147524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.147524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.147524 (E_RNA) where: Base-Base interactions energy: -486.056 where: short stacking energy: -211.188 Base-Backbone interact. energy: -0.226 local terms energy: -284.865462 where: bonds (distance) C4'-P energy: -76.855 bonds (distance) P-C4' energy: -66.851 flat angles C4'-P-C4' energy: -79.096 flat angles P-C4'-P energy: -46.303 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -736.727256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.727256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.727256 (E_RNA) where: Base-Base interactions energy: -441.328 where: short stacking energy: -218.328 Base-Backbone interact. energy: 3.770 local terms energy: -299.168642 where: bonds (distance) C4'-P energy: -78.692 bonds (distance) P-C4' energy: -62.854 flat angles C4'-P-C4' energy: -79.286 flat angles P-C4'-P energy: -43.350 tors. eta vs tors. theta energy: -34.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -588.291777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.291777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.291777 (E_RNA) where: Base-Base interactions energy: -330.563 where: short stacking energy: -164.986 Base-Backbone interact. energy: -1.881 local terms energy: -255.847646 where: bonds (distance) C4'-P energy: -67.781 bonds (distance) P-C4' energy: -62.043 flat angles C4'-P-C4' energy: -60.554 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -19.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1542.247486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.247486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.247486 (E_RNA) where: Base-Base interactions energy: -1104.174 where: short stacking energy: -440.847 Base-Backbone interact. energy: -3.818 local terms energy: -434.255649 where: bonds (distance) C4'-P energy: -78.566 bonds (distance) P-C4' energy: -95.919 flat angles C4'-P-C4' energy: -88.540 flat angles P-C4'-P energy: -50.288 tors. eta vs tors. theta energy: -120.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1482.384046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.384046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.384046 (E_RNA) where: Base-Base interactions energy: -1057.193 where: short stacking energy: -439.404 Base-Backbone interact. energy: -2.694 local terms energy: -422.497017 where: bonds (distance) C4'-P energy: -82.667 bonds (distance) P-C4' energy: -77.183 flat angles C4'-P-C4' energy: -89.751 flat angles P-C4'-P energy: -58.519 tors. eta vs tors. theta energy: -114.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1433.088200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.088200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.088200 (E_RNA) where: Base-Base interactions energy: -1014.482 where: short stacking energy: -452.813 Base-Backbone interact. energy: 0.722 local terms energy: -419.328782 where: bonds (distance) C4'-P energy: -81.980 bonds (distance) P-C4' energy: -71.735 flat angles C4'-P-C4' energy: -86.769 flat angles P-C4'-P energy: -56.882 tors. eta vs tors. theta energy: -121.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1346.046377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.046377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.046377 (E_RNA) where: Base-Base interactions energy: -948.340 where: short stacking energy: -383.756 Base-Backbone interact. energy: -1.186 local terms energy: -396.520349 where: bonds (distance) C4'-P energy: -75.849 bonds (distance) P-C4' energy: -78.812 flat angles C4'-P-C4' energy: -88.892 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -101.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1240.269138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.269138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.269138 (E_RNA) where: Base-Base interactions energy: -849.235 where: short stacking energy: -375.494 Base-Backbone interact. energy: -1.644 local terms energy: -389.390362 where: bonds (distance) C4'-P energy: -71.921 bonds (distance) P-C4' energy: -69.333 flat angles C4'-P-C4' energy: -86.652 flat angles P-C4'-P energy: -61.490 tors. eta vs tors. theta energy: -99.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1169.634473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.634473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.634473 (E_RNA) where: Base-Base interactions energy: -780.017 where: short stacking energy: -339.950 Base-Backbone interact. energy: -2.436 local terms energy: -387.181548 where: bonds (distance) C4'-P energy: -67.798 bonds (distance) P-C4' energy: -85.629 flat angles C4'-P-C4' energy: -85.442 flat angles P-C4'-P energy: -54.132 tors. eta vs tors. theta energy: -94.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1078.259446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.259446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.259446 (E_RNA) where: Base-Base interactions energy: -716.711 where: short stacking energy: -331.876 Base-Backbone interact. energy: 1.352 local terms energy: -362.900015 where: bonds (distance) C4'-P energy: -73.151 bonds (distance) P-C4' energy: -74.637 flat angles C4'-P-C4' energy: -78.020 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: -82.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -770.951897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.951897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.951897 (E_RNA) where: Base-Base interactions energy: -457.861 where: short stacking energy: -233.844 Base-Backbone interact. energy: -0.956 local terms energy: -312.134926 where: bonds (distance) C4'-P energy: -79.045 bonds (distance) P-C4' energy: -73.144 flat angles C4'-P-C4' energy: -77.443 flat angles P-C4'-P energy: -45.245 tors. eta vs tors. theta energy: -37.257 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: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -761.811144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.811144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.811144 (E_RNA) where: Base-Base interactions energy: -488.976 where: short stacking energy: -204.272 Base-Backbone interact. energy: 1.416 local terms energy: -274.250670 where: bonds (distance) C4'-P energy: -61.249 bonds (distance) P-C4' energy: -80.037 flat angles C4'-P-C4' energy: -57.393 flat angles P-C4'-P energy: -47.964 tors. eta vs tors. theta energy: -27.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -619.867786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.867786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.867786 (E_RNA) where: Base-Base interactions energy: -375.593 where: short stacking energy: -171.771 Base-Backbone interact. energy: -1.554 local terms energy: -242.720501 where: bonds (distance) C4'-P energy: -65.744 bonds (distance) P-C4' energy: -71.689 flat angles C4'-P-C4' energy: -74.135 flat angles P-C4'-P energy: -34.021 tors. eta vs tors. theta energy: 2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1540.943565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.943565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.943565 (E_RNA) where: Base-Base interactions energy: -1100.359 where: short stacking energy: -433.516 Base-Backbone interact. energy: -0.223 local terms energy: -440.361781 where: bonds (distance) C4'-P energy: -88.187 bonds (distance) P-C4' energy: -77.960 flat angles C4'-P-C4' energy: -101.580 flat angles P-C4'-P energy: -52.302 tors. eta vs tors. theta energy: -120.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1485.954297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.954297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.954297 (E_RNA) where: Base-Base interactions energy: -1047.626 where: short stacking energy: -423.167 Base-Backbone interact. energy: -4.239 local terms energy: -434.089561 where: bonds (distance) C4'-P energy: -73.802 bonds (distance) P-C4' energy: -88.107 flat angles C4'-P-C4' energy: -93.323 flat angles P-C4'-P energy: -63.516 tors. eta vs tors. theta energy: -115.342 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: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1410.049673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.049673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.049673 (E_RNA) where: Base-Base interactions energy: -979.002 where: short stacking energy: -408.430 Base-Backbone interact. energy: -2.199 local terms energy: -428.848609 where: bonds (distance) C4'-P energy: -71.468 bonds (distance) P-C4' energy: -81.910 flat angles C4'-P-C4' energy: -92.996 flat angles P-C4'-P energy: -60.096 tors. eta vs tors. theta energy: -122.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1322.329964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.329964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.329964 (E_RNA) where: Base-Base interactions energy: -928.272 where: short stacking energy: -362.328 Base-Backbone interact. energy: -2.673 local terms energy: -391.384509 where: bonds (distance) C4'-P energy: -63.675 bonds (distance) P-C4' energy: -72.421 flat angles C4'-P-C4' energy: -83.442 flat angles P-C4'-P energy: -65.965 tors. eta vs tors. theta energy: -105.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1219.182453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.182453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.182453 (E_RNA) where: Base-Base interactions energy: -843.936 where: short stacking energy: -374.788 Base-Backbone interact. energy: -1.601 local terms energy: -373.645342 where: bonds (distance) C4'-P energy: -77.876 bonds (distance) P-C4' energy: -55.472 flat angles C4'-P-C4' energy: -85.517 flat angles P-C4'-P energy: -60.528 tors. eta vs tors. theta energy: -94.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1193.676178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.676178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.676178 (E_RNA) where: Base-Base interactions energy: -813.566 where: short stacking energy: -353.017 Base-Backbone interact. energy: -0.020 local terms energy: -380.090599 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -87.839 flat angles C4'-P-C4' energy: -87.507 flat angles P-C4'-P energy: -55.077 tors. eta vs tors. theta energy: -89.452 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: 210 Temperature: 1.200000 Total energy: -1068.518553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.518553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.518553 (E_RNA) where: Base-Base interactions energy: -727.052 where: short stacking energy: -330.391 Base-Backbone interact. energy: -1.477 local terms energy: -339.989841 where: bonds (distance) C4'-P energy: -66.304 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -81.851 flat angles P-C4'-P energy: -47.633 tors. eta vs tors. theta energy: -78.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -783.334460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.334460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.334460 (E_RNA) where: Base-Base interactions energy: -489.813 where: short stacking energy: -255.710 Base-Backbone interact. energy: 3.782 local terms energy: -297.303356 where: bonds (distance) C4'-P energy: -62.641 bonds (distance) P-C4' energy: -69.643 flat angles C4'-P-C4' energy: -81.439 flat angles P-C4'-P energy: -30.702 tors. eta vs tors. theta energy: -52.878 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: 9, replica: 2 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -732.458472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.458472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.458472 (E_RNA) where: Base-Base interactions energy: -458.205 where: short stacking energy: -213.131 Base-Backbone interact. energy: 2.642 local terms energy: -276.895953 where: bonds (distance) C4'-P energy: -71.975 bonds (distance) P-C4' energy: -59.744 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -40.054 tors. eta vs tors. theta energy: -36.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -625.355681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.355681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.355681 (E_RNA) where: Base-Base interactions energy: -367.638 where: short stacking energy: -166.580 Base-Backbone interact. energy: -0.002 local terms energy: -257.715204 where: bonds (distance) C4'-P energy: -71.085 bonds (distance) P-C4' energy: -77.766 flat angles C4'-P-C4' energy: -55.580 flat angles P-C4'-P energy: -35.198 tors. eta vs tors. theta energy: -18.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1521.842937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.842937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.842937 (E_RNA) where: Base-Base interactions energy: -1084.176 where: short stacking energy: -429.701 Base-Backbone interact. energy: -0.204 local terms energy: -437.463023 where: bonds (distance) C4'-P energy: -79.602 bonds (distance) P-C4' energy: -82.542 flat angles C4'-P-C4' energy: -90.145 flat angles P-C4'-P energy: -68.478 tors. eta vs tors. theta energy: -116.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1478.306889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.306889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.306889 (E_RNA) where: Base-Base interactions energy: -1044.777 where: short stacking energy: -429.694 Base-Backbone interact. energy: 2.676 local terms energy: -436.205288 where: bonds (distance) C4'-P energy: -77.543 bonds (distance) P-C4' energy: -84.870 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -66.668 tors. eta vs tors. theta energy: -113.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1430.075733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.075733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.075733 (E_RNA) where: Base-Base interactions energy: -999.672 where: short stacking energy: -416.058 Base-Backbone interact. energy: -1.164 local terms energy: -429.239521 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -76.410 flat angles C4'-P-C4' energy: -91.174 flat angles P-C4'-P energy: -73.033 tors. eta vs tors. theta energy: -118.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1306.166391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.166391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.166391 (E_RNA) where: Base-Base interactions energy: -910.365 where: short stacking energy: -362.433 Base-Backbone interact. energy: 0.263 local terms energy: -396.064501 where: bonds (distance) C4'-P energy: -73.077 bonds (distance) P-C4' energy: -85.306 flat angles C4'-P-C4' energy: -88.132 flat angles P-C4'-P energy: -58.082 tors. eta vs tors. theta energy: -91.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1248.980862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.980862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.980862 (E_RNA) where: Base-Base interactions energy: -875.130 where: short stacking energy: -372.063 Base-Backbone interact. energy: -1.154 local terms energy: -372.696165 where: bonds (distance) C4'-P energy: -71.053 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -87.258 flat angles P-C4'-P energy: -52.250 tors. eta vs tors. theta energy: -91.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1219.123742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.123742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.123742 (E_RNA) where: Base-Base interactions energy: -844.561 where: short stacking energy: -372.303 Base-Backbone interact. energy: -2.521 local terms energy: -372.041197 where: bonds (distance) C4'-P energy: -60.365 bonds (distance) P-C4' energy: -76.474 flat angles C4'-P-C4' energy: -85.181 flat angles P-C4'-P energy: -55.306 tors. eta vs tors. theta energy: -94.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1069.770325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.770325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.770325 (E_RNA) where: Base-Base interactions energy: -709.457 where: short stacking energy: -322.080 Base-Backbone interact. energy: -0.619 local terms energy: -359.694414 where: bonds (distance) C4'-P energy: -74.436 bonds (distance) P-C4' energy: -74.304 flat angles C4'-P-C4' energy: -78.285 flat angles P-C4'-P energy: -54.540 tors. eta vs tors. theta energy: -78.130 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: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -802.190208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.190208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.190208 (E_RNA) where: Base-Base interactions energy: -489.578 where: short stacking energy: -260.501 Base-Backbone interact. energy: 1.820 local terms energy: -314.432301 where: bonds (distance) C4'-P energy: -67.819 bonds (distance) P-C4' energy: -76.193 flat angles C4'-P-C4' energy: -73.735 flat angles P-C4'-P energy: -32.521 tors. eta vs tors. theta energy: -64.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -743.992423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.992423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.992423 (E_RNA) where: Base-Base interactions energy: -483.996 where: short stacking energy: -238.646 Base-Backbone interact. energy: 2.154 local terms energy: -262.150297 where: bonds (distance) C4'-P energy: -53.223 bonds (distance) P-C4' energy: -66.012 flat angles C4'-P-C4' energy: -61.739 flat angles P-C4'-P energy: -34.035 tors. eta vs tors. theta energy: -47.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -580.913982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.913982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.913982 (E_RNA) where: Base-Base interactions energy: -340.699 where: short stacking energy: -166.938 Base-Backbone interact. energy: 0.626 local terms energy: -240.841088 where: bonds (distance) C4'-P energy: -54.917 bonds (distance) P-C4' energy: -71.954 flat angles C4'-P-C4' energy: -61.355 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -10.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1549.060339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.060339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.060339 (E_RNA) where: Base-Base interactions energy: -1106.107 where: short stacking energy: -430.940 Base-Backbone interact. energy: -2.207 local terms energy: -440.746431 where: bonds (distance) C4'-P energy: -83.082 bonds (distance) P-C4' energy: -85.526 flat angles C4'-P-C4' energy: -95.504 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -127.675 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: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1478.037729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.037729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.037729 (E_RNA) where: Base-Base interactions energy: -1045.250 where: short stacking energy: -422.234 Base-Backbone interact. energy: -2.140 local terms energy: -430.647594 where: bonds (distance) C4'-P energy: -82.687 bonds (distance) P-C4' energy: -81.460 flat angles C4'-P-C4' energy: -90.862 flat angles P-C4'-P energy: -68.634 tors. eta vs tors. theta energy: -107.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1400.979242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.979242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.979242 (E_RNA) where: Base-Base interactions energy: -997.181 where: short stacking energy: -419.993 Base-Backbone interact. energy: -1.635 local terms energy: -402.163249 where: bonds (distance) C4'-P energy: -73.470 bonds (distance) P-C4' energy: -72.197 flat angles C4'-P-C4' energy: -93.144 flat angles P-C4'-P energy: -49.584 tors. eta vs tors. theta energy: -113.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1315.869256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.869256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.869256 (E_RNA) where: Base-Base interactions energy: -925.114 where: short stacking energy: -393.037 Base-Backbone interact. energy: -1.841 local terms energy: -388.914299 where: bonds (distance) C4'-P energy: -72.067 bonds (distance) P-C4' energy: -78.709 flat angles C4'-P-C4' energy: -84.378 flat angles P-C4'-P energy: -56.578 tors. eta vs tors. theta energy: -97.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1226.278886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.278886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.278886 (E_RNA) where: Base-Base interactions energy: -835.666 where: short stacking energy: -368.065 Base-Backbone interact. energy: -1.938 local terms energy: -388.674439 where: bonds (distance) C4'-P energy: -81.984 bonds (distance) P-C4' energy: -79.353 flat angles C4'-P-C4' energy: -85.186 flat angles P-C4'-P energy: -46.531 tors. eta vs tors. theta energy: -95.619 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: 212 Temperature: 1.150000 Total energy: -1218.602044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.602044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.602044 (E_RNA) where: Base-Base interactions energy: -817.890 where: short stacking energy: -349.470 Base-Backbone interact. energy: -2.385 local terms energy: -398.326585 where: bonds (distance) C4'-P energy: -79.158 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -95.703 flat angles P-C4'-P energy: -61.177 tors. eta vs tors. theta energy: -81.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1078.177513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.177513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.177513 (E_RNA) where: Base-Base interactions energy: -719.575 where: short stacking energy: -305.951 Base-Backbone interact. energy: -0.020 local terms energy: -358.582324 where: bonds (distance) C4'-P energy: -65.396 bonds (distance) P-C4' energy: -84.375 flat angles C4'-P-C4' energy: -74.902 flat angles P-C4'-P energy: -47.025 tors. eta vs tors. theta energy: -86.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -843.267643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.267643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.267643 (E_RNA) where: Base-Base interactions energy: -509.749 where: short stacking energy: -229.379 Base-Backbone interact. energy: -1.296 local terms energy: -332.222507 where: bonds (distance) C4'-P energy: -77.622 bonds (distance) P-C4' energy: -77.225 flat angles C4'-P-C4' energy: -76.821 flat angles P-C4'-P energy: -54.226 tors. eta vs tors. theta energy: -46.328 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: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -774.285912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.285912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.285912 (E_RNA) where: Base-Base interactions energy: -491.078 where: short stacking energy: -211.098 Base-Backbone interact. energy: -0.446 local terms energy: -282.761432 where: bonds (distance) C4'-P energy: -69.255 bonds (distance) P-C4' energy: -72.778 flat angles C4'-P-C4' energy: -58.968 flat angles P-C4'-P energy: -46.426 tors. eta vs tors. theta energy: -35.334 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: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -617.175769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.175769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.175769 (E_RNA) where: Base-Base interactions energy: -358.275 where: short stacking energy: -166.592 Base-Backbone interact. energy: -0.949 local terms energy: -257.952130 where: bonds (distance) C4'-P energy: -71.637 bonds (distance) P-C4' energy: -69.072 flat angles C4'-P-C4' energy: -63.238 flat angles P-C4'-P energy: -45.123 tors. eta vs tors. theta energy: -8.881 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: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1561.849889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.849889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.849889 (E_RNA) where: Base-Base interactions energy: -1109.367 where: short stacking energy: -441.782 Base-Backbone interact. energy: -1.307 local terms energy: -451.176012 where: bonds (distance) C4'-P energy: -79.918 bonds (distance) P-C4' energy: -89.799 flat angles C4'-P-C4' energy: -90.664 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -123.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1499.742324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.742324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.742324 (E_RNA) where: Base-Base interactions energy: -1047.725 where: short stacking energy: -438.788 Base-Backbone interact. energy: -0.836 local terms energy: -451.181721 where: bonds (distance) C4'-P energy: -76.704 bonds (distance) P-C4' energy: -92.750 flat angles C4'-P-C4' energy: -101.425 flat angles P-C4'-P energy: -61.850 tors. eta vs tors. theta energy: -118.453 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: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1420.885926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.885926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.885926 (E_RNA) where: Base-Base interactions energy: -989.352 where: short stacking energy: -414.289 Base-Backbone interact. energy: -0.179 local terms energy: -431.355082 where: bonds (distance) C4'-P energy: -78.157 bonds (distance) P-C4' energy: -81.698 flat angles C4'-P-C4' energy: -83.695 flat angles P-C4'-P energy: -65.382 tors. eta vs tors. theta energy: -122.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1290.386558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.386558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.386558 (E_RNA) where: Base-Base interactions energy: -878.312 where: short stacking energy: -363.070 Base-Backbone interact. energy: -3.067 local terms energy: -409.007751 where: bonds (distance) C4'-P energy: -82.298 bonds (distance) P-C4' energy: -84.128 flat angles C4'-P-C4' energy: -91.710 flat angles P-C4'-P energy: -60.131 tors. eta vs tors. theta energy: -90.741 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: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1231.268030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.268030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.268030 (E_RNA) where: Base-Base interactions energy: -850.206 where: short stacking energy: -365.753 Base-Backbone interact. energy: 6.402 local terms energy: -387.463983 where: bonds (distance) C4'-P energy: -79.916 bonds (distance) P-C4' energy: -81.903 flat angles C4'-P-C4' energy: -77.098 flat angles P-C4'-P energy: -52.395 tors. eta vs tors. theta energy: -96.152 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: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1212.303277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.303277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.303277 (E_RNA) where: Base-Base interactions energy: -831.979 where: short stacking energy: -361.764 Base-Backbone interact. energy: 1.466 local terms energy: -381.790408 where: bonds (distance) C4'-P energy: -79.392 bonds (distance) P-C4' energy: -81.890 flat angles C4'-P-C4' energy: -83.339 flat angles P-C4'-P energy: -40.951 tors. eta vs tors. theta energy: -96.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1026.356940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.356940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.356940 (E_RNA) where: Base-Base interactions energy: -660.391 where: short stacking energy: -306.963 Base-Backbone interact. energy: -0.208 local terms energy: -365.757249 where: bonds (distance) C4'-P energy: -61.682 bonds (distance) P-C4' energy: -92.270 flat angles C4'-P-C4' energy: -85.821 flat angles P-C4'-P energy: -55.104 tors. eta vs tors. theta energy: -70.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -887.545161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.545161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.545161 (E_RNA) where: Base-Base interactions energy: -564.129 where: short stacking energy: -260.672 Base-Backbone interact. energy: 0.008 local terms energy: -323.423702 where: bonds (distance) C4'-P energy: -66.324 bonds (distance) P-C4' energy: -82.396 flat angles C4'-P-C4' energy: -81.254 flat angles P-C4'-P energy: -45.187 tors. eta vs tors. theta energy: -48.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -767.384624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.384624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.384624 (E_RNA) where: Base-Base interactions energy: -503.625 where: short stacking energy: -206.319 Base-Backbone interact. energy: 0.227 local terms energy: -263.987029 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -72.218 flat angles C4'-P-C4' energy: -59.617 flat angles P-C4'-P energy: -40.940 tors. eta vs tors. theta energy: -26.448 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: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -615.458553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.458553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.458553 (E_RNA) where: Base-Base interactions energy: -356.084 where: short stacking energy: -190.225 Base-Backbone interact. energy: -1.190 local terms energy: -258.184875 where: bonds (distance) C4'-P energy: -67.980 bonds (distance) P-C4' energy: -72.250 flat angles C4'-P-C4' energy: -74.580 flat angles P-C4'-P energy: -28.785 tors. eta vs tors. theta energy: -14.590 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: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1554.929844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.929844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.929844 (E_RNA) where: Base-Base interactions energy: -1093.268 where: short stacking energy: -454.606 Base-Backbone interact. energy: -3.659 local terms energy: -458.002138 where: bonds (distance) C4'-P energy: -83.683 bonds (distance) P-C4' energy: -85.034 flat angles C4'-P-C4' energy: -92.214 flat angles P-C4'-P energy: -69.895 tors. eta vs tors. theta energy: -127.176 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: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1513.040893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.040893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.040893 (E_RNA) where: Base-Base interactions energy: -1084.456 where: short stacking energy: -422.545 Base-Backbone interact. energy: 0.002 local terms energy: -428.587013 where: bonds (distance) C4'-P energy: -76.374 bonds (distance) P-C4' energy: -78.322 flat angles C4'-P-C4' energy: -93.782 flat angles P-C4'-P energy: -60.889 tors. eta vs tors. theta energy: -119.219 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: 9 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1401.481486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.481486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.481486 (E_RNA) where: Base-Base interactions energy: -977.730 where: short stacking energy: -413.046 Base-Backbone interact. energy: -1.146 local terms energy: -422.605517 where: bonds (distance) C4'-P energy: -74.802 bonds (distance) P-C4' energy: -78.047 flat angles C4'-P-C4' energy: -98.246 flat angles P-C4'-P energy: -59.009 tors. eta vs tors. theta energy: -112.502 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: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1308.575186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.575186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.575186 (E_RNA) where: Base-Base interactions energy: -923.896 where: short stacking energy: -396.008 Base-Backbone interact. energy: 2.737 local terms energy: -387.415587 where: bonds (distance) C4'-P energy: -70.845 bonds (distance) P-C4' energy: -76.536 flat angles C4'-P-C4' energy: -86.394 flat angles P-C4'-P energy: -57.964 tors. eta vs tors. theta energy: -95.677 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: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1252.672061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.672061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.672061 (E_RNA) where: Base-Base interactions energy: -854.129 where: short stacking energy: -382.662 Base-Backbone interact. energy: -2.276 local terms energy: -396.267585 where: bonds (distance) C4'-P energy: -83.208 bonds (distance) P-C4' energy: -68.046 flat angles C4'-P-C4' energy: -78.608 flat angles P-C4'-P energy: -56.376 tors. eta vs tors. theta energy: -110.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1207.785933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.785933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.785933 (E_RNA) where: Base-Base interactions energy: -859.797 where: short stacking energy: -347.138 Base-Backbone interact. energy: -0.901 local terms energy: -347.088097 where: bonds (distance) C4'-P energy: -70.421 bonds (distance) P-C4' energy: -65.736 flat angles C4'-P-C4' energy: -75.043 flat angles P-C4'-P energy: -42.621 tors. eta vs tors. theta energy: -93.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1098.853979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.853979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.853979 (E_RNA) where: Base-Base interactions energy: -727.182 where: short stacking energy: -321.989 Base-Backbone interact. energy: 0.797 local terms energy: -372.468901 where: bonds (distance) C4'-P energy: -74.477 bonds (distance) P-C4' energy: -79.133 flat angles C4'-P-C4' energy: -78.732 flat angles P-C4'-P energy: -44.495 tors. eta vs tors. theta energy: -95.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -873.328145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.328145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.328145 (E_RNA) where: Base-Base interactions energy: -549.495 where: short stacking energy: -264.266 Base-Backbone interact. energy: -1.185 local terms energy: -322.648713 where: bonds (distance) C4'-P energy: -81.402 bonds (distance) P-C4' energy: -66.668 flat angles C4'-P-C4' energy: -78.011 flat angles P-C4'-P energy: -31.878 tors. eta vs tors. theta energy: -64.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -743.831544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.831544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.831544 (E_RNA) where: Base-Base interactions energy: -471.361 where: short stacking energy: -206.526 Base-Backbone interact. energy: 1.022 local terms energy: -273.492513 where: bonds (distance) C4'-P energy: -51.413 bonds (distance) P-C4' energy: -76.790 flat angles C4'-P-C4' energy: -67.179 flat angles P-C4'-P energy: -53.619 tors. eta vs tors. theta energy: -24.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -674.753610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.753610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.753610 (E_RNA) where: Base-Base interactions energy: -416.528 where: short stacking energy: -191.534 Base-Backbone interact. energy: -3.772 local terms energy: -254.453714 where: bonds (distance) C4'-P energy: -51.271 bonds (distance) P-C4' energy: -78.832 flat angles C4'-P-C4' energy: -56.992 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -19.725 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: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1532.449181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.449181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.449181 (E_RNA) where: Base-Base interactions energy: -1087.167 where: short stacking energy: -443.112 Base-Backbone interact. energy: 2.905 local terms energy: -448.186601 where: bonds (distance) C4'-P energy: -75.537 bonds (distance) P-C4' energy: -81.159 flat angles C4'-P-C4' energy: -100.996 flat angles P-C4'-P energy: -64.168 tors. eta vs tors. theta energy: -126.327 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: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1503.337963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.337963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.337963 (E_RNA) where: Base-Base interactions energy: -1058.781 where: short stacking energy: -433.146 Base-Backbone interact. energy: -1.934 local terms energy: -442.622020 where: bonds (distance) C4'-P energy: -80.303 bonds (distance) P-C4' energy: -86.171 flat angles C4'-P-C4' energy: -96.681 flat angles P-C4'-P energy: -62.184 tors. eta vs tors. theta energy: -117.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1396.831533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.831533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.831533 (E_RNA) where: Base-Base interactions energy: -963.347 where: short stacking energy: -395.572 Base-Backbone interact. energy: -0.602 local terms energy: -432.883258 where: bonds (distance) C4'-P energy: -84.591 bonds (distance) P-C4' energy: -81.765 flat angles C4'-P-C4' energy: -101.022 flat angles P-C4'-P energy: -57.685 tors. eta vs tors. theta energy: -107.820 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: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1297.740767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.740767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.740767 (E_RNA) where: Base-Base interactions energy: -906.438 where: short stacking energy: -379.654 Base-Backbone interact. energy: -1.588 local terms energy: -389.715000 where: bonds (distance) C4'-P energy: -72.671 bonds (distance) P-C4' energy: -75.855 flat angles C4'-P-C4' energy: -91.278 flat angles P-C4'-P energy: -56.010 tors. eta vs tors. theta energy: -93.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1253.783283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.783283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.783283 (E_RNA) where: Base-Base interactions energy: -842.673 where: short stacking energy: -355.629 Base-Backbone interact. energy: -0.201 local terms energy: -410.909040 where: bonds (distance) C4'-P energy: -81.747 bonds (distance) P-C4' energy: -83.501 flat angles C4'-P-C4' energy: -80.957 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -104.231 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: 6, replica: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1189.366982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.366982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.366982 (E_RNA) where: Base-Base interactions energy: -814.810 where: short stacking energy: -344.805 Base-Backbone interact. energy: -1.817 local terms energy: -372.739870 where: bonds (distance) C4'-P energy: -72.784 bonds (distance) P-C4' energy: -82.346 flat angles C4'-P-C4' energy: -80.669 flat angles P-C4'-P energy: -53.057 tors. eta vs tors. theta energy: -83.884 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: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1130.664256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.664256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.664256 (E_RNA) where: Base-Base interactions energy: -764.178 where: short stacking energy: -357.249 Base-Backbone interact. energy: -0.672 local terms energy: -365.814389 where: bonds (distance) C4'-P energy: -61.359 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -83.335 flat angles P-C4'-P energy: -55.809 tors. eta vs tors. theta energy: -100.940 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: 8, replica: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -872.967290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.967290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.967290 (E_RNA) where: Base-Base interactions energy: -545.608 where: short stacking energy: -267.194 Base-Backbone interact. energy: -1.505 local terms energy: -325.853518 where: bonds (distance) C4'-P energy: -63.787 bonds (distance) P-C4' energy: -70.566 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -59.263 tors. eta vs tors. theta energy: -64.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -745.561739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.561739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.561739 (E_RNA) where: Base-Base interactions energy: -464.476 where: short stacking energy: -209.580 Base-Backbone interact. energy: -1.514 local terms energy: -279.571812 where: bonds (distance) C4'-P energy: -80.913 bonds (distance) P-C4' energy: -61.842 flat angles C4'-P-C4' energy: -63.951 flat angles P-C4'-P energy: -40.237 tors. eta vs tors. theta energy: -32.628 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: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -729.250862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.250862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.250862 (E_RNA) where: Base-Base interactions energy: -463.233 where: short stacking energy: -211.860 Base-Backbone interact. energy: 0.526 local terms energy: -266.543683 where: bonds (distance) C4'-P energy: -65.871 bonds (distance) P-C4' energy: -74.603 flat angles C4'-P-C4' energy: -67.841 flat angles P-C4'-P energy: -33.114 tors. eta vs tors. theta energy: -25.114 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: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1537.109055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.109055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.109055 (E_RNA) where: Base-Base interactions energy: -1106.611 where: short stacking energy: -447.276 Base-Backbone interact. energy: 3.689 local terms energy: -434.187414 where: bonds (distance) C4'-P energy: -79.925 bonds (distance) P-C4' energy: -78.942 flat angles C4'-P-C4' energy: -95.344 flat angles P-C4'-P energy: -57.997 tors. eta vs tors. theta energy: -121.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1504.385842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.385842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.385842 (E_RNA) where: Base-Base interactions energy: -1048.705 where: short stacking energy: -434.305 Base-Backbone interact. energy: -2.509 local terms energy: -453.170996 where: bonds (distance) C4'-P energy: -82.715 bonds (distance) P-C4' energy: -85.535 flat angles C4'-P-C4' energy: -95.389 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: -125.611 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: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1379.022741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.022741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.022741 (E_RNA) where: Base-Base interactions energy: -963.480 where: short stacking energy: -405.371 Base-Backbone interact. energy: -1.140 local terms energy: -414.402650 where: bonds (distance) C4'-P energy: -77.327 bonds (distance) P-C4' energy: -69.928 flat angles C4'-P-C4' energy: -92.704 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -111.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1307.802296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.802296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.802296 (E_RNA) where: Base-Base interactions energy: -906.366 where: short stacking energy: -376.465 Base-Backbone interact. energy: -1.393 local terms energy: -400.044181 where: bonds (distance) C4'-P energy: -78.640 bonds (distance) P-C4' energy: -81.254 flat angles C4'-P-C4' energy: -93.384 flat angles P-C4'-P energy: -58.596 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: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1280.866742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.866742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.866742 (E_RNA) where: Base-Base interactions energy: -876.981 where: short stacking energy: -367.110 Base-Backbone interact. energy: -2.326 local terms energy: -401.559513 where: bonds (distance) C4'-P energy: -79.770 bonds (distance) P-C4' energy: -72.333 flat angles C4'-P-C4' energy: -81.018 flat angles P-C4'-P energy: -59.874 tors. eta vs tors. theta energy: -108.566 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: 216 Temperature: 1.150000 Total energy: -1205.858549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.858549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.858549 (E_RNA) where: Base-Base interactions energy: -815.422 where: short stacking energy: -333.641 Base-Backbone interact. energy: -1.132 local terms energy: -389.304396 where: bonds (distance) C4'-P energy: -84.263 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -84.965 flat angles P-C4'-P energy: -54.431 tors. eta vs tors. theta energy: -83.463 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: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1086.229644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.229644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.229644 (E_RNA) where: Base-Base interactions energy: -739.955 where: short stacking energy: -330.988 Base-Backbone interact. energy: 2.246 local terms energy: -348.520967 where: bonds (distance) C4'-P energy: -55.957 bonds (distance) P-C4' energy: -81.067 flat angles C4'-P-C4' energy: -72.194 flat angles P-C4'-P energy: -43.726 tors. eta vs tors. theta energy: -95.578 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: 8, replica: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -864.924489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.924489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.924489 (E_RNA) where: Base-Base interactions energy: -551.918 where: short stacking energy: -268.549 Base-Backbone interact. energy: -1.327 local terms energy: -311.679858 where: bonds (distance) C4'-P energy: -65.850 bonds (distance) P-C4' energy: -58.556 flat angles C4'-P-C4' energy: -75.106 flat angles P-C4'-P energy: -49.303 tors. eta vs tors. theta energy: -62.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -796.821649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.821649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.821649 (E_RNA) where: Base-Base interactions energy: -494.310 where: short stacking energy: -216.842 Base-Backbone interact. energy: -2.286 local terms energy: -300.226517 where: bonds (distance) C4'-P energy: -70.575 bonds (distance) P-C4' energy: -73.196 flat angles C4'-P-C4' energy: -72.468 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -34.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -681.502265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.502265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.502265 (E_RNA) where: Base-Base interactions energy: -427.430 where: short stacking energy: -185.959 Base-Backbone interact. energy: -0.036 local terms energy: -254.036723 where: bonds (distance) C4'-P energy: -58.475 bonds (distance) P-C4' energy: -75.431 flat angles C4'-P-C4' energy: -55.202 flat angles P-C4'-P energy: -44.894 tors. eta vs tors. theta energy: -20.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1528.783418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.783418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.783418 (E_RNA) where: Base-Base interactions energy: -1075.781 where: short stacking energy: -433.836 Base-Backbone interact. energy: -0.073 local terms energy: -452.930034 where: bonds (distance) C4'-P energy: -78.371 bonds (distance) P-C4' energy: -96.856 flat angles C4'-P-C4' energy: -101.465 flat angles P-C4'-P energy: -59.153 tors. eta vs tors. theta energy: -117.086 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: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1493.169733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.169733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.169733 (E_RNA) where: Base-Base interactions energy: -1049.608 where: short stacking energy: -439.659 Base-Backbone interact. energy: -4.564 local terms energy: -438.997793 where: bonds (distance) C4'-P energy: -75.574 bonds (distance) P-C4' energy: -84.703 flat angles C4'-P-C4' energy: -92.193 flat angles P-C4'-P energy: -67.597 tors. eta vs tors. theta energy: -118.931 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: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1407.291440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.291440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.291440 (E_RNA) where: Base-Base interactions energy: -987.911 where: short stacking energy: -409.614 Base-Backbone interact. energy: -2.190 local terms energy: -417.190551 where: bonds (distance) C4'-P energy: -79.922 bonds (distance) P-C4' energy: -69.231 flat angles C4'-P-C4' energy: -101.777 flat angles P-C4'-P energy: -51.466 tors. eta vs tors. theta energy: -114.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1304.746815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.746815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.746815 (E_RNA) where: Base-Base interactions energy: -903.138 where: short stacking energy: -368.462 Base-Backbone interact. energy: 0.850 local terms energy: -402.459429 where: bonds (distance) C4'-P energy: -74.066 bonds (distance) P-C4' energy: -84.531 flat angles C4'-P-C4' energy: -85.502 flat angles P-C4'-P energy: -53.288 tors. eta vs tors. theta energy: -105.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1270.274061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.274061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.274061 (E_RNA) where: Base-Base interactions energy: -872.167 where: short stacking energy: -401.562 Base-Backbone interact. energy: -0.884 local terms energy: -397.223292 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -75.639 flat angles C4'-P-C4' energy: -90.206 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -104.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1201.522448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.522448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.522448 (E_RNA) where: Base-Base interactions energy: -836.409 where: short stacking energy: -366.164 Base-Backbone interact. energy: -1.792 local terms energy: -363.321534 where: bonds (distance) C4'-P energy: -75.365 bonds (distance) P-C4' energy: -68.812 flat angles C4'-P-C4' energy: -82.464 flat angles P-C4'-P energy: -50.319 tors. eta vs tors. theta energy: -86.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1101.658842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.658842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.658842 (E_RNA) where: Base-Base interactions energy: -751.870 where: short stacking energy: -326.583 Base-Backbone interact. energy: 1.352 local terms energy: -351.140729 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -75.968 flat angles C4'-P-C4' energy: -68.692 flat angles P-C4'-P energy: -52.140 tors. eta vs tors. theta energy: -84.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -861.036908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.036908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.036908 (E_RNA) where: Base-Base interactions energy: -549.674 where: short stacking energy: -252.657 Base-Backbone interact. energy: -1.414 local terms energy: -309.949219 where: bonds (distance) C4'-P energy: -68.976 bonds (distance) P-C4' energy: -91.157 flat angles C4'-P-C4' energy: -66.654 flat angles P-C4'-P energy: -46.487 tors. eta vs tors. theta energy: -36.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -753.226409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.226409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.226409 (E_RNA) where: Base-Base interactions energy: -467.371 where: short stacking energy: -214.183 Base-Backbone interact. energy: 0.360 local terms energy: -286.215811 where: bonds (distance) C4'-P energy: -70.167 bonds (distance) P-C4' energy: -75.669 flat angles C4'-P-C4' energy: -66.397 flat angles P-C4'-P energy: -38.537 tors. eta vs tors. theta energy: -35.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -637.040881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.040881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.040881 (E_RNA) where: Base-Base interactions energy: -393.900 where: short stacking energy: -183.913 Base-Backbone interact. energy: -1.238 local terms energy: -241.902720 where: bonds (distance) C4'-P energy: -70.668 bonds (distance) P-C4' energy: -72.926 flat angles C4'-P-C4' energy: -62.754 flat angles P-C4'-P energy: -29.559 tors. eta vs tors. theta energy: -5.997 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: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1526.620179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.620179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.620179 (E_RNA) where: Base-Base interactions energy: -1086.877 where: short stacking energy: -437.502 Base-Backbone interact. energy: -1.561 local terms energy: -438.181535 where: bonds (distance) C4'-P energy: -89.915 bonds (distance) P-C4' energy: -86.310 flat angles C4'-P-C4' energy: -88.451 flat angles P-C4'-P energy: -57.435 tors. eta vs tors. theta energy: -116.070 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: 218 Temperature: 0.950000 Total energy: -1486.034813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.034813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.034813 (E_RNA) where: Base-Base interactions energy: -1060.551 where: short stacking energy: -432.742 Base-Backbone interact. energy: -1.591 local terms energy: -423.893021 where: bonds (distance) C4'-P energy: -73.945 bonds (distance) P-C4' energy: -81.702 flat angles C4'-P-C4' energy: -91.730 flat angles P-C4'-P energy: -55.133 tors. eta vs tors. theta energy: -121.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1388.590396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.590396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.590396 (E_RNA) where: Base-Base interactions energy: -960.943 where: short stacking energy: -416.949 Base-Backbone interact. energy: -3.101 local terms energy: -424.546914 where: bonds (distance) C4'-P energy: -78.350 bonds (distance) P-C4' energy: -75.614 flat angles C4'-P-C4' energy: -101.288 flat angles P-C4'-P energy: -62.698 tors. eta vs tors. theta energy: -106.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1348.797873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.797873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.797873 (E_RNA) where: Base-Base interactions energy: -945.124 where: short stacking energy: -391.347 Base-Backbone interact. energy: 1.233 local terms energy: -404.906926 where: bonds (distance) C4'-P energy: -75.671 bonds (distance) P-C4' energy: -77.487 flat angles C4'-P-C4' energy: -83.122 flat angles P-C4'-P energy: -66.043 tors. eta vs tors. theta energy: -102.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1238.565529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.565529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.565529 (E_RNA) where: Base-Base interactions energy: -847.974 where: short stacking energy: -384.888 Base-Backbone interact. energy: 1.882 local terms energy: -392.473960 where: bonds (distance) C4'-P energy: -65.661 bonds (distance) P-C4' energy: -85.526 flat angles C4'-P-C4' energy: -83.688 flat angles P-C4'-P energy: -50.473 tors. eta vs tors. theta energy: -107.125 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: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1222.344943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.344943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.344943 (E_RNA) where: Base-Base interactions energy: -821.135 where: short stacking energy: -324.769 Base-Backbone interact. energy: -1.718 local terms energy: -399.492649 where: bonds (distance) C4'-P energy: -80.854 bonds (distance) P-C4' energy: -86.488 flat angles C4'-P-C4' energy: -90.451 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: -90.571 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: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1118.297943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.297943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.297943 (E_RNA) where: Base-Base interactions energy: -752.427 where: short stacking energy: -339.707 Base-Backbone interact. energy: -0.762 local terms energy: -365.108982 where: bonds (distance) C4'-P energy: -66.630 bonds (distance) P-C4' energy: -72.066 flat angles C4'-P-C4' energy: -71.937 flat angles P-C4'-P energy: -65.817 tors. eta vs tors. theta energy: -88.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -897.335887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.335887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.335887 (E_RNA) where: Base-Base interactions energy: -566.943 where: short stacking energy: -264.207 Base-Backbone interact. energy: 0.465 local terms energy: -330.857345 where: bonds (distance) C4'-P energy: -73.737 bonds (distance) P-C4' energy: -67.206 flat angles C4'-P-C4' energy: -86.291 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: -52.723 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: 9, replica: 2 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -657.193360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.193360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.193360 (E_RNA) where: Base-Base interactions energy: -394.364 where: short stacking energy: -208.002 Base-Backbone interact. energy: -1.504 local terms energy: -261.325474 where: bonds (distance) C4'-P energy: -66.787 bonds (distance) P-C4' energy: -70.336 flat angles C4'-P-C4' energy: -73.292 flat angles P-C4'-P energy: -34.027 tors. eta vs tors. theta energy: -16.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -698.458813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.458813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.458813 (E_RNA) where: Base-Base interactions energy: -414.015 where: short stacking energy: -191.751 Base-Backbone interact. energy: 2.257 local terms energy: -286.700634 where: bonds (distance) C4'-P energy: -64.421 bonds (distance) P-C4' energy: -62.214 flat angles C4'-P-C4' energy: -74.874 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -32.277 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: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1528.625378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.625378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.625378 (E_RNA) where: Base-Base interactions energy: -1089.677 where: short stacking energy: -433.621 Base-Backbone interact. energy: -3.605 local terms energy: -435.342598 where: bonds (distance) C4'-P energy: -82.018 bonds (distance) P-C4' energy: -89.121 flat angles C4'-P-C4' energy: -87.835 flat angles P-C4'-P energy: -59.121 tors. eta vs tors. theta energy: -117.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1498.679567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.679567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.679567 (E_RNA) where: Base-Base interactions energy: -1063.716 where: short stacking energy: -414.069 Base-Backbone interact. energy: 0.851 local terms energy: -435.815469 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -83.920 flat angles C4'-P-C4' energy: -90.040 flat angles P-C4'-P energy: -65.412 tors. eta vs tors. theta energy: -118.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1422.397808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.397808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.397808 (E_RNA) where: Base-Base interactions energy: -970.474 where: short stacking energy: -432.258 Base-Backbone interact. energy: 0.553 local terms energy: -452.476809 where: bonds (distance) C4'-P energy: -81.672 bonds (distance) P-C4' energy: -90.268 flat angles C4'-P-C4' energy: -96.887 flat angles P-C4'-P energy: -65.570 tors. eta vs tors. theta energy: -118.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1344.423188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.423188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.423188 (E_RNA) where: Base-Base interactions energy: -959.852 where: short stacking energy: -410.954 Base-Backbone interact. energy: -0.520 local terms energy: -384.051085 where: bonds (distance) C4'-P energy: -70.279 bonds (distance) P-C4' energy: -68.850 flat angles C4'-P-C4' energy: -89.460 flat angles P-C4'-P energy: -52.866 tors. eta vs tors. theta energy: -102.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1228.654421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.654421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.654421 (E_RNA) where: Base-Base interactions energy: -827.920 where: short stacking energy: -358.655 Base-Backbone interact. energy: -2.565 local terms energy: -398.168852 where: bonds (distance) C4'-P energy: -79.397 bonds (distance) P-C4' energy: -77.373 flat angles C4'-P-C4' energy: -83.667 flat angles P-C4'-P energy: -56.159 tors. eta vs tors. theta energy: -101.574 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: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1221.827623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.827623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.827623 (E_RNA) where: Base-Base interactions energy: -865.803 where: short stacking energy: -360.278 Base-Backbone interact. energy: 1.415 local terms energy: -357.439072 where: bonds (distance) C4'-P energy: -59.390 bonds (distance) P-C4' energy: -67.923 flat angles C4'-P-C4' energy: -85.167 flat angles P-C4'-P energy: -59.195 tors. eta vs tors. theta energy: -85.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1082.947343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.947343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.947343 (E_RNA) where: Base-Base interactions energy: -733.522 where: short stacking energy: -309.050 Base-Backbone interact. energy: -0.909 local terms energy: -348.516216 where: bonds (distance) C4'-P energy: -62.762 bonds (distance) P-C4' energy: -75.655 flat angles C4'-P-C4' energy: -83.168 flat angles P-C4'-P energy: -51.335 tors. eta vs tors. theta energy: -75.596 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: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -868.025058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.025058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.025058 (E_RNA) where: Base-Base interactions energy: -550.896 where: short stacking energy: -270.946 Base-Backbone interact. energy: 1.790 local terms energy: -318.918607 where: bonds (distance) C4'-P energy: -68.861 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -76.084 flat angles P-C4'-P energy: -52.840 tors. eta vs tors. theta energy: -54.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -659.685083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.685083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.685083 (E_RNA) where: Base-Base interactions energy: -381.783 where: short stacking energy: -190.008 Base-Backbone interact. energy: -2.149 local terms energy: -275.752536 where: bonds (distance) C4'-P energy: -57.175 bonds (distance) P-C4' energy: -68.455 flat angles C4'-P-C4' energy: -64.616 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -37.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -770.034380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.034380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.034380 (E_RNA) where: Base-Base interactions energy: -496.638 where: short stacking energy: -195.382 Base-Backbone interact. energy: 4.153 local terms energy: -277.549892 where: bonds (distance) C4'-P energy: -76.529 bonds (distance) P-C4' energy: -66.518 flat angles C4'-P-C4' energy: -60.867 flat angles P-C4'-P energy: -41.567 tors. eta vs tors. theta energy: -32.068 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: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1521.191311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.191311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.191311 (E_RNA) where: Base-Base interactions energy: -1080.548 where: short stacking energy: -435.195 Base-Backbone interact. energy: -3.331 local terms energy: -437.311576 where: bonds (distance) C4'-P energy: -81.517 bonds (distance) P-C4' energy: -80.130 flat angles C4'-P-C4' energy: -86.154 flat angles P-C4'-P energy: -59.604 tors. eta vs tors. theta energy: -129.906 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: 220 Temperature: 0.950000 Total energy: -1524.817656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.817656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.817656 (E_RNA) where: Base-Base interactions energy: -1090.314 where: short stacking energy: -418.416 Base-Backbone interact. energy: -1.873 local terms energy: -432.629853 where: bonds (distance) C4'-P energy: -75.191 bonds (distance) P-C4' energy: -79.119 flat angles C4'-P-C4' energy: -95.118 flat angles P-C4'-P energy: -67.443 tors. eta vs tors. theta energy: -115.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1408.326289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.326289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.326289 (E_RNA) where: Base-Base interactions energy: -973.414 where: short stacking energy: -422.420 Base-Backbone interact. energy: -5.078 local terms energy: -429.833976 where: bonds (distance) C4'-P energy: -78.098 bonds (distance) P-C4' energy: -84.466 flat angles C4'-P-C4' energy: -93.484 flat angles P-C4'-P energy: -60.698 tors. eta vs tors. theta energy: -113.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1332.927396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.927396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.927396 (E_RNA) where: Base-Base interactions energy: -954.240 where: short stacking energy: -386.859 Base-Backbone interact. energy: -2.242 local terms energy: -376.445370 where: bonds (distance) C4'-P energy: -72.342 bonds (distance) P-C4' energy: -53.178 flat angles C4'-P-C4' energy: -92.472 flat angles P-C4'-P energy: -54.035 tors. eta vs tors. theta energy: -104.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1233.435093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.435093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.435093 (E_RNA) where: Base-Base interactions energy: -858.502 where: short stacking energy: -368.607 Base-Backbone interact. energy: -0.959 local terms energy: -373.973466 where: bonds (distance) C4'-P energy: -81.055 bonds (distance) P-C4' energy: -65.263 flat angles C4'-P-C4' energy: -80.185 flat angles P-C4'-P energy: -52.119 tors. eta vs tors. theta energy: -95.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1206.439942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.439942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.439942 (E_RNA) where: Base-Base interactions energy: -812.829 where: short stacking energy: -342.649 Base-Backbone interact. energy: 2.159 local terms energy: -395.769554 where: bonds (distance) C4'-P energy: -82.580 bonds (distance) P-C4' energy: -76.846 flat angles C4'-P-C4' energy: -87.100 flat angles P-C4'-P energy: -51.136 tors. eta vs tors. theta energy: -98.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1080.382789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.382789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.382789 (E_RNA) where: Base-Base interactions energy: -713.563 where: short stacking energy: -324.465 Base-Backbone interact. energy: -1.796 local terms energy: -365.023866 where: bonds (distance) C4'-P energy: -68.942 bonds (distance) P-C4' energy: -70.995 flat angles C4'-P-C4' energy: -82.325 flat angles P-C4'-P energy: -46.909 tors. eta vs tors. theta energy: -95.853 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: 8, replica: 5 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -893.863377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.863377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.863377 (E_RNA) where: Base-Base interactions energy: -562.371 where: short stacking energy: -275.725 Base-Backbone interact. energy: 0.533 local terms energy: -332.024589 where: bonds (distance) C4'-P energy: -62.468 bonds (distance) P-C4' energy: -78.056 flat angles C4'-P-C4' energy: -86.182 flat angles P-C4'-P energy: -34.312 tors. eta vs tors. theta energy: -71.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -787.386140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.386140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.386140 (E_RNA) where: Base-Base interactions energy: -511.093 where: short stacking energy: -234.279 Base-Backbone interact. energy: -1.902 local terms energy: -274.391492 where: bonds (distance) C4'-P energy: -73.590 bonds (distance) P-C4' energy: -77.234 flat angles C4'-P-C4' energy: -66.603 flat angles P-C4'-P energy: -36.357 tors. eta vs tors. theta energy: -20.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -555.172835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.172835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.172835 (E_RNA) where: Base-Base interactions energy: -341.326 where: short stacking energy: -158.854 Base-Backbone interact. energy: 2.059 local terms energy: -215.905917 where: bonds (distance) C4'-P energy: -72.773 bonds (distance) P-C4' energy: -67.359 flat angles C4'-P-C4' energy: -44.274 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: 11.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1518.952440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.952440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.952440 (E_RNA) where: Base-Base interactions energy: -1084.534 where: short stacking energy: -439.404 Base-Backbone interact. energy: -4.479 local terms energy: -429.939715 where: bonds (distance) C4'-P energy: -79.401 bonds (distance) P-C4' energy: -82.821 flat angles C4'-P-C4' energy: -81.488 flat angles P-C4'-P energy: -68.586 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: 2, replica: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1443.009831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.009831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.009831 (E_RNA) where: Base-Base interactions energy: -1006.769 where: short stacking energy: -430.849 Base-Backbone interact. energy: -2.654 local terms energy: -433.586816 where: bonds (distance) C4'-P energy: -90.960 bonds (distance) P-C4' energy: -68.413 flat angles C4'-P-C4' energy: -90.516 flat angles P-C4'-P energy: -61.919 tors. eta vs tors. theta energy: -121.779 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: 7 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1462.258816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.258816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.258816 (E_RNA) where: Base-Base interactions energy: -1025.964 where: short stacking energy: -410.227 Base-Backbone interact. energy: -2.809 local terms energy: -433.486421 where: bonds (distance) C4'-P energy: -76.325 bonds (distance) P-C4' energy: -97.363 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -105.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1304.417808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.417808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.417808 (E_RNA) where: Base-Base interactions energy: -931.503 where: short stacking energy: -390.244 Base-Backbone interact. energy: -1.781 local terms energy: -371.134192 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -71.658 flat angles C4'-P-C4' energy: -82.681 flat angles P-C4'-P energy: -47.022 tors. eta vs tors. theta energy: -103.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1218.426302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.426302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.426302 (E_RNA) where: Base-Base interactions energy: -826.634 where: short stacking energy: -341.185 Base-Backbone interact. energy: -2.455 local terms energy: -389.337465 where: bonds (distance) C4'-P energy: -73.435 bonds (distance) P-C4' energy: -95.398 flat angles C4'-P-C4' energy: -83.183 flat angles P-C4'-P energy: -54.471 tors. eta vs tors. theta energy: -82.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1165.453124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.453124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.453124 (E_RNA) where: Base-Base interactions energy: -788.055 where: short stacking energy: -355.164 Base-Backbone interact. energy: -1.553 local terms energy: -375.845415 where: bonds (distance) C4'-P energy: -67.714 bonds (distance) P-C4' energy: -72.097 flat angles C4'-P-C4' energy: -86.959 flat angles P-C4'-P energy: -57.300 tors. eta vs tors. theta energy: -91.776 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: 221 Temperature: 1.200000 Total energy: -1051.603824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.603824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.603824 (E_RNA) where: Base-Base interactions energy: -706.572 where: short stacking energy: -307.701 Base-Backbone interact. energy: -2.243 local terms energy: -342.788928 where: bonds (distance) C4'-P energy: -58.477 bonds (distance) P-C4' energy: -72.314 flat angles C4'-P-C4' energy: -82.530 flat angles P-C4'-P energy: -52.127 tors. eta vs tors. theta energy: -77.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -853.846340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.846340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.846340 (E_RNA) where: Base-Base interactions energy: -549.782 where: short stacking energy: -274.753 Base-Backbone interact. energy: -0.906 local terms energy: -303.158904 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -70.685 flat angles C4'-P-C4' energy: -84.426 flat angles P-C4'-P energy: -35.319 tors. eta vs tors. theta energy: -54.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -780.305228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.305228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.305228 (E_RNA) where: Base-Base interactions energy: -491.049 where: short stacking energy: -226.325 Base-Backbone interact. energy: -1.051 local terms energy: -288.205636 where: bonds (distance) C4'-P energy: -66.641 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -70.011 flat angles P-C4'-P energy: -41.327 tors. eta vs tors. theta energy: -39.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -533.976463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.976463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.976463 (E_RNA) where: Base-Base interactions energy: -305.486 where: short stacking energy: -182.879 Base-Backbone interact. energy: 6.230 local terms energy: -234.720439 where: bonds (distance) C4'-P energy: -56.110 bonds (distance) P-C4' energy: -66.528 flat angles C4'-P-C4' energy: -59.615 flat angles P-C4'-P energy: -35.731 tors. eta vs tors. theta energy: -16.738 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: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1535.396073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.396073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.396073 (E_RNA) where: Base-Base interactions energy: -1076.452 where: short stacking energy: -426.607 Base-Backbone interact. energy: -4.476 local terms energy: -454.468174 where: bonds (distance) C4'-P energy: -78.650 bonds (distance) P-C4' energy: -95.244 flat angles C4'-P-C4' energy: -95.015 flat angles P-C4'-P energy: -56.785 tors. eta vs tors. theta energy: -128.774 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: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1433.716736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.716736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.716736 (E_RNA) where: Base-Base interactions energy: -987.047 where: short stacking energy: -414.578 Base-Backbone interact. energy: -2.456 local terms energy: -444.213695 where: bonds (distance) C4'-P energy: -79.762 bonds (distance) P-C4' energy: -89.305 flat angles C4'-P-C4' energy: -89.480 flat angles P-C4'-P energy: -61.530 tors. eta vs tors. theta energy: -124.136 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: 7 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1463.583331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.583331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.583331 (E_RNA) where: Base-Base interactions energy: -1046.443 where: short stacking energy: -409.062 Base-Backbone interact. energy: -0.261 local terms energy: -416.878561 where: bonds (distance) C4'-P energy: -67.955 bonds (distance) P-C4' energy: -83.010 flat angles C4'-P-C4' energy: -91.819 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -117.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1288.760328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.760328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.760328 (E_RNA) where: Base-Base interactions energy: -908.060 where: short stacking energy: -377.304 Base-Backbone interact. energy: 1.395 local terms energy: -382.096143 where: bonds (distance) C4'-P energy: -71.402 bonds (distance) P-C4' energy: -83.129 flat angles C4'-P-C4' energy: -89.525 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: -90.108 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: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1255.139670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.139670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.139670 (E_RNA) where: Base-Base interactions energy: -872.989 where: short stacking energy: -366.526 Base-Backbone interact. energy: -0.011 local terms energy: -382.138817 where: bonds (distance) C4'-P energy: -76.142 bonds (distance) P-C4' energy: -78.368 flat angles C4'-P-C4' energy: -83.667 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -88.403 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: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1174.393189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.393189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.393189 (E_RNA) where: Base-Base interactions energy: -797.178 where: short stacking energy: -342.176 Base-Backbone interact. energy: -2.926 local terms energy: -374.288589 where: bonds (distance) C4'-P energy: -76.981 bonds (distance) P-C4' energy: -76.764 flat angles C4'-P-C4' energy: -86.347 flat angles P-C4'-P energy: -54.853 tors. eta vs tors. theta energy: -79.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1065.786448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.786448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.786448 (E_RNA) where: Base-Base interactions energy: -713.181 where: short stacking energy: -308.145 Base-Backbone interact. energy: 1.377 local terms energy: -353.982068 where: bonds (distance) C4'-P energy: -77.886 bonds (distance) P-C4' energy: -75.104 flat angles C4'-P-C4' energy: -76.529 flat angles P-C4'-P energy: -50.871 tors. eta vs tors. theta energy: -73.593 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: 8, replica: 5 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -879.926066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.926066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.926066 (E_RNA) where: Base-Base interactions energy: -550.674 where: short stacking energy: -274.413 Base-Backbone interact. energy: 5.302 local terms energy: -334.554400 where: bonds (distance) C4'-P energy: -60.618 bonds (distance) P-C4' energy: -75.873 flat angles C4'-P-C4' energy: -82.521 flat angles P-C4'-P energy: -49.147 tors. eta vs tors. theta energy: -66.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -770.022141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.022141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.022141 (E_RNA) where: Base-Base interactions energy: -488.396 where: short stacking energy: -229.480 Base-Backbone interact. energy: 0.201 local terms energy: -281.826669 where: bonds (distance) C4'-P energy: -55.414 bonds (distance) P-C4' energy: -77.177 flat angles C4'-P-C4' energy: -69.543 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -36.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -549.003136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.003136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.003136 (E_RNA) where: Base-Base interactions energy: -313.718 where: short stacking energy: -146.016 Base-Backbone interact. energy: -0.981 local terms energy: -234.303445 where: bonds (distance) C4'-P energy: -60.408 bonds (distance) P-C4' energy: -72.526 flat angles C4'-P-C4' energy: -57.968 flat angles P-C4'-P energy: -44.112 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1521.089038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.089038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.089038 (E_RNA) where: Base-Base interactions energy: -1070.136 where: short stacking energy: -443.359 Base-Backbone interact. energy: -0.310 local terms energy: -450.642662 where: bonds (distance) C4'-P energy: -88.455 bonds (distance) P-C4' energy: -80.621 flat angles C4'-P-C4' energy: -93.899 flat angles P-C4'-P energy: -67.346 tors. eta vs tors. theta energy: -120.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1487.185724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.185724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.185724 (E_RNA) where: Base-Base interactions energy: -1062.742 where: short stacking energy: -420.168 Base-Backbone interact. energy: -2.415 local terms energy: -422.028160 where: bonds (distance) C4'-P energy: -83.067 bonds (distance) P-C4' energy: -84.706 flat angles C4'-P-C4' energy: -87.403 flat angles P-C4'-P energy: -52.704 tors. eta vs tors. theta energy: -114.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1398.574613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.574613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.574613 (E_RNA) where: Base-Base interactions energy: -985.574 where: short stacking energy: -400.215 Base-Backbone interact. energy: 0.460 local terms energy: -413.460810 where: bonds (distance) C4'-P energy: -82.376 bonds (distance) P-C4' energy: -71.447 flat angles C4'-P-C4' energy: -88.808 flat angles P-C4'-P energy: -64.309 tors. eta vs tors. theta energy: -106.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1295.276990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.276990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.276990 (E_RNA) where: Base-Base interactions energy: -882.858 where: short stacking energy: -385.590 Base-Backbone interact. energy: -1.665 local terms energy: -410.753972 where: bonds (distance) C4'-P energy: -81.072 bonds (distance) P-C4' energy: -80.473 flat angles C4'-P-C4' energy: -91.131 flat angles P-C4'-P energy: -59.977 tors. eta vs tors. theta energy: -98.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1283.855877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.855877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.855877 (E_RNA) where: Base-Base interactions energy: -879.837 where: short stacking energy: -350.717 Base-Backbone interact. energy: -0.687 local terms energy: -403.331857 where: bonds (distance) C4'-P energy: -80.294 bonds (distance) P-C4' energy: -87.204 flat angles C4'-P-C4' energy: -88.486 flat angles P-C4'-P energy: -58.664 tors. eta vs tors. theta energy: -88.685 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: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1174.183333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.183333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.183333 (E_RNA) where: Base-Base interactions energy: -811.363 where: short stacking energy: -345.628 Base-Backbone interact. energy: -0.552 local terms energy: -362.267919 where: bonds (distance) C4'-P energy: -79.066 bonds (distance) P-C4' energy: -73.853 flat angles C4'-P-C4' energy: -80.844 flat angles P-C4'-P energy: -51.711 tors. eta vs tors. theta energy: -76.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1069.971402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.971402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.971402 (E_RNA) where: Base-Base interactions energy: -713.766 where: short stacking energy: -318.104 Base-Backbone interact. energy: -1.353 local terms energy: -354.852210 where: bonds (distance) C4'-P energy: -83.196 bonds (distance) P-C4' energy: -60.490 flat angles C4'-P-C4' energy: -82.055 flat angles P-C4'-P energy: -56.893 tors. eta vs tors. theta energy: -72.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -867.485756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.485756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.485756 (E_RNA) where: Base-Base interactions energy: -540.091 where: short stacking energy: -278.499 Base-Backbone interact. energy: 0.464 local terms energy: -327.858614 where: bonds (distance) C4'-P energy: -55.326 bonds (distance) P-C4' energy: -82.073 flat angles C4'-P-C4' energy: -81.929 flat angles P-C4'-P energy: -46.468 tors. eta vs tors. theta energy: -62.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -807.049982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.049982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.049982 (E_RNA) where: Base-Base interactions energy: -524.920 where: short stacking energy: -240.214 Base-Backbone interact. energy: 0.331 local terms energy: -282.460585 where: bonds (distance) C4'-P energy: -57.454 bonds (distance) P-C4' energy: -64.047 flat angles C4'-P-C4' energy: -63.755 flat angles P-C4'-P energy: -37.714 tors. eta vs tors. theta energy: -59.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -573.168828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.168828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.168828 (E_RNA) where: Base-Base interactions energy: -334.406 where: short stacking energy: -169.323 Base-Backbone interact. energy: 1.182 local terms energy: -239.944793 where: bonds (distance) C4'-P energy: -63.026 bonds (distance) P-C4' energy: -74.905 flat angles C4'-P-C4' energy: -51.121 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -10.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1543.184335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.184335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.184335 (E_RNA) where: Base-Base interactions energy: -1092.391 where: short stacking energy: -441.366 Base-Backbone interact. energy: -1.675 local terms energy: -449.118352 where: bonds (distance) C4'-P energy: -74.069 bonds (distance) P-C4' energy: -88.550 flat angles C4'-P-C4' energy: -98.073 flat angles P-C4'-P energy: -65.442 tors. eta vs tors. theta energy: -122.984 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: 224 Temperature: 0.950000 Total energy: -1509.780866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.780866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.780866 (E_RNA) where: Base-Base interactions energy: -1076.883 where: short stacking energy: -416.781 Base-Backbone interact. energy: -1.508 local terms energy: -431.389672 where: bonds (distance) C4'-P energy: -74.723 bonds (distance) P-C4' energy: -86.444 flat angles C4'-P-C4' energy: -92.215 flat angles P-C4'-P energy: -57.539 tors. eta vs tors. theta energy: -120.469 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: 9 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1401.369204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.369204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.369204 (E_RNA) where: Base-Base interactions energy: -973.539 where: short stacking energy: -418.534 Base-Backbone interact. energy: -4.535 local terms energy: -423.295506 where: bonds (distance) C4'-P energy: -75.609 bonds (distance) P-C4' energy: -83.627 flat angles C4'-P-C4' energy: -89.118 flat angles P-C4'-P energy: -65.264 tors. eta vs tors. theta energy: -109.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1297.427185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.427185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.427185 (E_RNA) where: Base-Base interactions energy: -916.539 where: short stacking energy: -388.380 Base-Backbone interact. energy: -1.470 local terms energy: -379.418131 where: bonds (distance) C4'-P energy: -70.474 bonds (distance) P-C4' energy: -85.202 flat angles C4'-P-C4' energy: -82.419 flat angles P-C4'-P energy: -53.199 tors. eta vs tors. theta energy: -88.125 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: 5, replica: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1241.810632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.810632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.810632 (E_RNA) where: Base-Base interactions energy: -866.478 where: short stacking energy: -362.602 Base-Backbone interact. energy: -2.548 local terms energy: -372.783868 where: bonds (distance) C4'-P energy: -80.901 bonds (distance) P-C4' energy: -80.390 flat angles C4'-P-C4' energy: -77.740 flat angles P-C4'-P energy: -57.680 tors. eta vs tors. theta energy: -76.073 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: 224 Temperature: 1.150000 Total energy: -1207.723389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.723389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.723389 (E_RNA) where: Base-Base interactions energy: -810.488 where: short stacking energy: -369.319 Base-Backbone interact. energy: 0.980 local terms energy: -398.214560 where: bonds (distance) C4'-P energy: -70.940 bonds (distance) P-C4' energy: -72.926 flat angles C4'-P-C4' energy: -94.138 flat angles P-C4'-P energy: -57.507 tors. eta vs tors. theta energy: -102.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1033.132539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.132539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.132539 (E_RNA) where: Base-Base interactions energy: -658.814 where: short stacking energy: -314.490 Base-Backbone interact. energy: -1.436 local terms energy: -372.882700 where: bonds (distance) C4'-P energy: -69.366 bonds (distance) P-C4' energy: -83.581 flat angles C4'-P-C4' energy: -86.518 flat angles P-C4'-P energy: -52.469 tors. eta vs tors. theta energy: -80.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -836.978115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.978115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.978115 (E_RNA) where: Base-Base interactions energy: -522.647 where: short stacking energy: -257.973 Base-Backbone interact. energy: 2.541 local terms energy: -316.872006 where: bonds (distance) C4'-P energy: -64.032 bonds (distance) P-C4' energy: -65.824 flat angles C4'-P-C4' energy: -77.812 flat angles P-C4'-P energy: -47.793 tors. eta vs tors. theta energy: -61.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -781.460794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.460794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.460794 (E_RNA) where: Base-Base interactions energy: -483.953 where: short stacking energy: -217.937 Base-Backbone interact. energy: -0.177 local terms energy: -297.330435 where: bonds (distance) C4'-P energy: -59.794 bonds (distance) P-C4' energy: -62.565 flat angles C4'-P-C4' energy: -84.033 flat angles P-C4'-P energy: -45.732 tors. eta vs tors. theta energy: -45.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -547.193855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.193855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.193855 (E_RNA) where: Base-Base interactions energy: -304.181 where: short stacking energy: -163.573 Base-Backbone interact. energy: -0.858 local terms energy: -242.154595 where: bonds (distance) C4'-P energy: -57.029 bonds (distance) P-C4' energy: -73.423 flat angles C4'-P-C4' energy: -49.294 flat angles P-C4'-P energy: -38.301 tors. eta vs tors. theta energy: -24.107 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: 225 Temperature: 0.900000 Total energy: -1538.226279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.226279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.226279 (E_RNA) where: Base-Base interactions energy: -1100.285 where: short stacking energy: -440.098 Base-Backbone interact. energy: -3.595 local terms energy: -434.346238 where: bonds (distance) C4'-P energy: -72.067 bonds (distance) P-C4' energy: -89.825 flat angles C4'-P-C4' energy: -95.094 flat angles P-C4'-P energy: -52.006 tors. eta vs tors. theta energy: -125.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1481.617632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.617632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.617632 (E_RNA) where: Base-Base interactions energy: -1058.751 where: short stacking energy: -427.722 Base-Backbone interact. energy: -2.862 local terms energy: -420.004631 where: bonds (distance) C4'-P energy: -67.398 bonds (distance) P-C4' energy: -78.395 flat angles C4'-P-C4' energy: -95.446 flat angles P-C4'-P energy: -56.889 tors. eta vs tors. theta energy: -121.876 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: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1410.374269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.374269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.374269 (E_RNA) where: Base-Base interactions energy: -981.489 where: short stacking energy: -408.203 Base-Backbone interact. energy: -2.227 local terms energy: -426.658528 where: bonds (distance) C4'-P energy: -77.477 bonds (distance) P-C4' energy: -84.710 flat angles C4'-P-C4' energy: -93.020 flat angles P-C4'-P energy: -56.671 tors. eta vs tors. theta energy: -114.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1321.498276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.498276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.498276 (E_RNA) where: Base-Base interactions energy: -928.385 where: short stacking energy: -406.660 Base-Backbone interact. energy: 0.212 local terms energy: -393.324535 where: bonds (distance) C4'-P energy: -79.340 bonds (distance) P-C4' energy: -72.994 flat angles C4'-P-C4' energy: -87.388 flat angles P-C4'-P energy: -56.304 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: 5, replica: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1258.699693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.699693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.699693 (E_RNA) where: Base-Base interactions energy: -865.097 where: short stacking energy: -373.831 Base-Backbone interact. energy: -2.054 local terms energy: -391.548814 where: bonds (distance) C4'-P energy: -73.150 bonds (distance) P-C4' energy: -80.417 flat angles C4'-P-C4' energy: -91.196 flat angles P-C4'-P energy: -58.553 tors. eta vs tors. theta energy: -88.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1188.397613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.397613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.397613 (E_RNA) where: Base-Base interactions energy: -800.159 where: short stacking energy: -360.096 Base-Backbone interact. energy: -0.575 local terms energy: -387.663935 where: bonds (distance) C4'-P energy: -78.028 bonds (distance) P-C4' energy: -77.190 flat angles C4'-P-C4' energy: -86.739 flat angles P-C4'-P energy: -49.430 tors. eta vs tors. theta energy: -96.276 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: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1050.317821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.317821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.317821 (E_RNA) where: Base-Base interactions energy: -704.177 where: short stacking energy: -321.365 Base-Backbone interact. energy: -1.110 local terms energy: -345.030783 where: bonds (distance) C4'-P energy: -63.661 bonds (distance) P-C4' energy: -69.921 flat angles C4'-P-C4' energy: -84.897 flat angles P-C4'-P energy: -60.666 tors. eta vs tors. theta energy: -65.886 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: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -780.763037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.763037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.763037 (E_RNA) where: Base-Base interactions energy: -493.725 where: short stacking energy: -245.913 Base-Backbone interact. energy: 2.455 local terms energy: -289.493096 where: bonds (distance) C4'-P energy: -67.032 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -64.467 flat angles P-C4'-P energy: -38.523 tors. eta vs tors. theta energy: -45.654 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: 5 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -899.320022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.320022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.320022 (E_RNA) where: Base-Base interactions energy: -599.350 where: short stacking energy: -287.724 Base-Backbone interact. energy: 0.660 local terms energy: -300.629732 where: bonds (distance) C4'-P energy: -67.996 bonds (distance) P-C4' energy: -67.452 flat angles C4'-P-C4' energy: -68.315 flat angles P-C4'-P energy: -37.536 tors. eta vs tors. theta energy: -59.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -539.234935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.234935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.234935 (E_RNA) where: Base-Base interactions energy: -286.202 where: short stacking energy: -142.213 Base-Backbone interact. energy: -0.025 local terms energy: -253.008126 where: bonds (distance) C4'-P energy: -65.800 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -67.633 flat angles P-C4'-P energy: -51.015 tors. eta vs tors. theta energy: 0.812 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: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1537.772405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.772405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.772405 (E_RNA) where: Base-Base interactions energy: -1091.287 where: short stacking energy: -454.293 Base-Backbone interact. energy: -2.013 local terms energy: -444.472830 where: bonds (distance) C4'-P energy: -89.533 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -87.844 flat angles P-C4'-P energy: -58.133 tors. eta vs tors. theta energy: -122.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1481.012011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.012011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.012011 (E_RNA) where: Base-Base interactions energy: -1029.398 where: short stacking energy: -413.336 Base-Backbone interact. energy: 5.163 local terms energy: -456.776455 where: bonds (distance) C4'-P energy: -88.740 bonds (distance) P-C4' energy: -96.828 flat angles C4'-P-C4' energy: -91.431 flat angles P-C4'-P energy: -60.171 tors. eta vs tors. theta energy: -119.606 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: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1386.584794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.584794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.584794 (E_RNA) where: Base-Base interactions energy: -981.481 where: short stacking energy: -393.887 Base-Backbone interact. energy: 4.161 local terms energy: -409.264895 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -95.033 flat angles P-C4'-P energy: -69.721 tors. eta vs tors. theta energy: -106.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1339.208008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.208008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.208008 (E_RNA) where: Base-Base interactions energy: -926.933 where: short stacking energy: -376.315 Base-Backbone interact. energy: -2.309 local terms energy: -409.965989 where: bonds (distance) C4'-P energy: -86.160 bonds (distance) P-C4' energy: -76.789 flat angles C4'-P-C4' energy: -95.760 flat angles P-C4'-P energy: -57.855 tors. eta vs tors. theta energy: -93.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1275.931322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.931322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.931322 (E_RNA) where: Base-Base interactions energy: -878.234 where: short stacking energy: -383.286 Base-Backbone interact. energy: -1.312 local terms energy: -396.385707 where: bonds (distance) C4'-P energy: -76.064 bonds (distance) P-C4' energy: -80.289 flat angles C4'-P-C4' energy: -75.009 flat angles P-C4'-P energy: -62.223 tors. eta vs tors. theta energy: -102.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1155.242360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.242360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.242360 (E_RNA) where: Base-Base interactions energy: -783.419 where: short stacking energy: -332.168 Base-Backbone interact. energy: -0.008 local terms energy: -371.814922 where: bonds (distance) C4'-P energy: -72.600 bonds (distance) P-C4' energy: -87.039 flat angles C4'-P-C4' energy: -73.379 flat angles P-C4'-P energy: -52.457 tors. eta vs tors. theta energy: -86.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1028.885865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.885865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.885865 (E_RNA) where: Base-Base interactions energy: -711.671 where: short stacking energy: -324.314 Base-Backbone interact. energy: -1.392 local terms energy: -315.823734 where: bonds (distance) C4'-P energy: -61.976 bonds (distance) P-C4' energy: -48.359 flat angles C4'-P-C4' energy: -81.005 flat angles P-C4'-P energy: -45.031 tors. eta vs tors. theta energy: -79.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -804.473592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.473592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.473592 (E_RNA) where: Base-Base interactions energy: -494.594 where: short stacking energy: -251.641 Base-Backbone interact. energy: -1.257 local terms energy: -308.621827 where: bonds (distance) C4'-P energy: -52.487 bonds (distance) P-C4' energy: -82.135 flat angles C4'-P-C4' energy: -72.108 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: -53.431 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: 9, replica: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -878.825676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.825676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.825676 (E_RNA) where: Base-Base interactions energy: -577.588 where: short stacking energy: -265.195 Base-Backbone interact. energy: -0.376 local terms energy: -300.861500 where: bonds (distance) C4'-P energy: -45.741 bonds (distance) P-C4' energy: -68.931 flat angles C4'-P-C4' energy: -74.560 flat angles P-C4'-P energy: -45.139 tors. eta vs tors. theta energy: -66.490 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: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -526.076851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.076851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.076851 (E_RNA) where: Base-Base interactions energy: -300.408 where: short stacking energy: -184.553 Base-Backbone interact. energy: -0.748 local terms energy: -224.920244 where: bonds (distance) C4'-P energy: -58.674 bonds (distance) P-C4' energy: -43.626 flat angles C4'-P-C4' energy: -53.652 flat angles P-C4'-P energy: -28.529 tors. eta vs tors. theta energy: -40.439 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: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1523.319666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.319666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.319666 (E_RNA) where: Base-Base interactions energy: -1092.512 where: short stacking energy: -460.267 Base-Backbone interact. energy: -1.509 local terms energy: -429.298769 where: bonds (distance) C4'-P energy: -78.271 bonds (distance) P-C4' energy: -85.160 flat angles C4'-P-C4' energy: -92.300 flat angles P-C4'-P energy: -49.557 tors. eta vs tors. theta energy: -124.011 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: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1531.567697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.567697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.567697 (E_RNA) where: Base-Base interactions energy: -1099.035 where: short stacking energy: -434.857 Base-Backbone interact. energy: 3.512 local terms energy: -436.044727 where: bonds (distance) C4'-P energy: -77.286 bonds (distance) P-C4' energy: -82.513 flat angles C4'-P-C4' energy: -88.948 flat angles P-C4'-P energy: -71.604 tors. eta vs tors. theta energy: -115.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1408.433472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.433472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.433472 (E_RNA) where: Base-Base interactions energy: -981.855 where: short stacking energy: -418.302 Base-Backbone interact. energy: -1.501 local terms energy: -425.077818 where: bonds (distance) C4'-P energy: -79.828 bonds (distance) P-C4' energy: -82.316 flat angles C4'-P-C4' energy: -95.434 flat angles P-C4'-P energy: -55.980 tors. eta vs tors. theta energy: -111.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1310.451025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.451025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.451025 (E_RNA) where: Base-Base interactions energy: -927.679 where: short stacking energy: -361.387 Base-Backbone interact. energy: -1.894 local terms energy: -380.878313 where: bonds (distance) C4'-P energy: -59.896 bonds (distance) P-C4' energy: -87.146 flat angles C4'-P-C4' energy: -89.159 flat angles P-C4'-P energy: -50.683 tors. eta vs tors. theta energy: -93.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1279.546947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.546947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.546947 (E_RNA) where: Base-Base interactions energy: -892.671 where: short stacking energy: -360.395 Base-Backbone interact. energy: -1.401 local terms energy: -385.474965 where: bonds (distance) C4'-P energy: -72.504 bonds (distance) P-C4' energy: -78.864 flat angles C4'-P-C4' energy: -84.292 flat angles P-C4'-P energy: -55.076 tors. eta vs tors. theta energy: -94.738 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: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1121.006638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.006638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.006638 (E_RNA) where: Base-Base interactions energy: -780.746 where: short stacking energy: -336.195 Base-Backbone interact. energy: 1.424 local terms energy: -341.684670 where: bonds (distance) C4'-P energy: -81.276 bonds (distance) P-C4' energy: -55.742 flat angles C4'-P-C4' energy: -64.158 flat angles P-C4'-P energy: -64.540 tors. eta vs tors. theta energy: -75.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1151.117801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.117801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.117801 (E_RNA) where: Base-Base interactions energy: -781.903 where: short stacking energy: -345.294 Base-Backbone interact. energy: -2.428 local terms energy: -366.786936 where: bonds (distance) C4'-P energy: -71.841 bonds (distance) P-C4' energy: -82.538 flat angles C4'-P-C4' energy: -76.124 flat angles P-C4'-P energy: -48.137 tors. eta vs tors. theta energy: -88.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -928.564544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.564544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.564544 (E_RNA) where: Base-Base interactions energy: -628.342 where: short stacking energy: -296.859 Base-Backbone interact. energy: 0.154 local terms energy: -300.376909 where: bonds (distance) C4'-P energy: -57.142 bonds (distance) P-C4' energy: -64.047 flat angles C4'-P-C4' energy: -72.874 flat angles P-C4'-P energy: -34.248 tors. eta vs tors. theta energy: -72.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -806.592077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.592077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.592077 (E_RNA) where: Base-Base interactions energy: -515.999 where: short stacking energy: -244.513 Base-Backbone interact. energy: -0.455 local terms energy: -290.137763 where: bonds (distance) C4'-P energy: -63.026 bonds (distance) P-C4' energy: -70.056 flat angles C4'-P-C4' energy: -69.204 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -37.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -592.286307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.286307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.286307 (E_RNA) where: Base-Base interactions energy: -355.132 where: short stacking energy: -170.292 Base-Backbone interact. energy: 1.865 local terms energy: -239.019084 where: bonds (distance) C4'-P energy: -44.963 bonds (distance) P-C4' energy: -75.981 flat angles C4'-P-C4' energy: -59.967 flat angles P-C4'-P energy: -39.647 tors. eta vs tors. theta energy: -18.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1552.467396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.467396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.467396 (E_RNA) where: Base-Base interactions energy: -1096.424 where: short stacking energy: -416.726 Base-Backbone interact. energy: -0.851 local terms energy: -455.191929 where: bonds (distance) C4'-P energy: -81.674 bonds (distance) P-C4' energy: -90.062 flat angles C4'-P-C4' energy: -97.630 flat angles P-C4'-P energy: -66.742 tors. eta vs tors. theta energy: -119.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1486.278200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.278200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.278200 (E_RNA) where: Base-Base interactions energy: -1040.808 where: short stacking energy: -429.450 Base-Backbone interact. energy: -3.321 local terms energy: -442.149506 where: bonds (distance) C4'-P energy: -74.048 bonds (distance) P-C4' energy: -81.740 flat angles C4'-P-C4' energy: -95.232 flat angles P-C4'-P energy: -63.362 tors. eta vs tors. theta energy: -127.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1378.300531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.300531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.300531 (E_RNA) where: Base-Base interactions energy: -972.230 where: short stacking energy: -419.660 Base-Backbone interact. energy: -0.549 local terms energy: -405.521872 where: bonds (distance) C4'-P energy: -78.255 bonds (distance) P-C4' energy: -76.046 flat angles C4'-P-C4' energy: -93.789 flat angles P-C4'-P energy: -51.214 tors. eta vs tors. theta energy: -106.218 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: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1351.583513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.583513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.583513 (E_RNA) where: Base-Base interactions energy: -941.729 where: short stacking energy: -396.153 Base-Backbone interact. energy: -2.775 local terms energy: -407.079418 where: bonds (distance) C4'-P energy: -74.766 bonds (distance) P-C4' energy: -76.925 flat angles C4'-P-C4' energy: -84.527 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -113.421 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: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1269.240894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.240894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.240894 (E_RNA) where: Base-Base interactions energy: -892.169 where: short stacking energy: -372.538 Base-Backbone interact. energy: 0.818 local terms energy: -377.889825 where: bonds (distance) C4'-P energy: -72.964 bonds (distance) P-C4' energy: -71.656 flat angles C4'-P-C4' energy: -84.327 flat angles P-C4'-P energy: -54.546 tors. eta vs tors. theta energy: -94.397 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: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1138.163790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.163790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.163790 (E_RNA) where: Base-Base interactions energy: -788.137 where: short stacking energy: -340.758 Base-Backbone interact. energy: -0.369 local terms energy: -349.657384 where: bonds (distance) C4'-P energy: -71.259 bonds (distance) P-C4' energy: -70.724 flat angles C4'-P-C4' energy: -78.088 flat angles P-C4'-P energy: -52.266 tors. eta vs tors. theta energy: -77.321 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: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1150.998265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.998265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.998265 (E_RNA) where: Base-Base interactions energy: -792.215 where: short stacking energy: -345.833 Base-Backbone interact. energy: -2.821 local terms energy: -355.961746 where: bonds (distance) C4'-P energy: -67.866 bonds (distance) P-C4' energy: -61.938 flat angles C4'-P-C4' energy: -70.035 flat angles P-C4'-P energy: -53.123 tors. eta vs tors. theta energy: -103.000 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: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -939.111115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.111115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.111115 (E_RNA) where: Base-Base interactions energy: -616.275 where: short stacking energy: -297.773 Base-Backbone interact. energy: -0.963 local terms energy: -321.872596 where: bonds (distance) C4'-P energy: -61.372 bonds (distance) P-C4' energy: -68.676 flat angles C4'-P-C4' energy: -80.818 flat angles P-C4'-P energy: -54.575 tors. eta vs tors. theta energy: -56.432 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: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -837.922816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.922816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.922816 (E_RNA) where: Base-Base interactions energy: -535.868 where: short stacking energy: -253.184 Base-Backbone interact. energy: -1.713 local terms energy: -300.341225 where: bonds (distance) C4'-P energy: -68.373 bonds (distance) P-C4' energy: -69.800 flat angles C4'-P-C4' energy: -72.745 flat angles P-C4'-P energy: -47.118 tors. eta vs tors. theta energy: -42.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -625.512466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.512466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.512466 (E_RNA) where: Base-Base interactions energy: -354.978 where: short stacking energy: -161.729 Base-Backbone interact. energy: 3.399 local terms energy: -273.933944 where: bonds (distance) C4'-P energy: -51.092 bonds (distance) P-C4' energy: -84.920 flat angles C4'-P-C4' energy: -72.799 flat angles P-C4'-P energy: -45.223 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: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1541.876539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.876539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.876539 (E_RNA) where: Base-Base interactions energy: -1087.340 where: short stacking energy: -424.351 Base-Backbone interact. energy: -3.242 local terms energy: -451.294005 where: bonds (distance) C4'-P energy: -87.392 bonds (distance) P-C4' energy: -91.963 flat angles C4'-P-C4' energy: -99.982 flat angles P-C4'-P energy: -54.942 tors. eta vs tors. theta energy: -117.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1466.831526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.831526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.831526 (E_RNA) where: Base-Base interactions energy: -1031.249 where: short stacking energy: -412.977 Base-Backbone interact. energy: -3.060 local terms energy: -432.522780 where: bonds (distance) C4'-P energy: -68.720 bonds (distance) P-C4' energy: -88.489 flat angles C4'-P-C4' energy: -101.826 flat angles P-C4'-P energy: -53.045 tors. eta vs tors. theta energy: -120.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1378.930526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.930526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.930526 (E_RNA) where: Base-Base interactions energy: -966.808 where: short stacking energy: -396.970 Base-Backbone interact. energy: -1.285 local terms energy: -410.837615 where: bonds (distance) C4'-P energy: -75.808 bonds (distance) P-C4' energy: -84.569 flat angles C4'-P-C4' energy: -83.772 flat angles P-C4'-P energy: -62.366 tors. eta vs tors. theta energy: -104.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1358.201334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.201334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.201334 (E_RNA) where: Base-Base interactions energy: -956.720 where: short stacking energy: -385.850 Base-Backbone interact. energy: -4.713 local terms energy: -396.768122 where: bonds (distance) C4'-P energy: -72.576 bonds (distance) P-C4' energy: -75.089 flat angles C4'-P-C4' energy: -86.468 flat angles P-C4'-P energy: -49.342 tors. eta vs tors. theta energy: -113.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1301.091006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.091006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.091006 (E_RNA) where: Base-Base interactions energy: -920.230 where: short stacking energy: -370.571 Base-Backbone interact. energy: -1.745 local terms energy: -379.116190 where: bonds (distance) C4'-P energy: -60.246 bonds (distance) P-C4' energy: -75.296 flat angles C4'-P-C4' energy: -92.151 flat angles P-C4'-P energy: -52.501 tors. eta vs tors. theta energy: -98.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1168.269955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.269955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.269955 (E_RNA) where: Base-Base interactions energy: -788.034 where: short stacking energy: -340.809 Base-Backbone interact. energy: -0.612 local terms energy: -379.624210 where: bonds (distance) C4'-P energy: -72.798 bonds (distance) P-C4' energy: -78.213 flat angles C4'-P-C4' energy: -75.623 flat angles P-C4'-P energy: -60.123 tors. eta vs tors. theta energy: -92.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1129.650581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.650581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.650581 (E_RNA) where: Base-Base interactions energy: -754.541 where: short stacking energy: -341.503 Base-Backbone interact. energy: 1.665 local terms energy: -376.774358 where: bonds (distance) C4'-P energy: -73.347 bonds (distance) P-C4' energy: -71.327 flat angles C4'-P-C4' energy: -84.551 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -89.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -939.888690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.888690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.888690 (E_RNA) where: Base-Base interactions energy: -617.584 where: short stacking energy: -291.678 Base-Backbone interact. energy: 2.807 local terms energy: -325.111498 where: bonds (distance) C4'-P energy: -63.609 bonds (distance) P-C4' energy: -72.923 flat angles C4'-P-C4' energy: -70.144 flat angles P-C4'-P energy: -50.569 tors. eta vs tors. theta energy: -67.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -852.201094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.201094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.201094 (E_RNA) where: Base-Base interactions energy: -541.854 where: short stacking energy: -221.858 Base-Backbone interact. energy: -0.465 local terms energy: -309.881348 where: bonds (distance) C4'-P energy: -68.102 bonds (distance) P-C4' energy: -69.940 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -49.266 tors. eta vs tors. theta energy: -48.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -622.089981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.089981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.089981 (E_RNA) where: Base-Base interactions energy: -384.853 where: short stacking energy: -190.996 Base-Backbone interact. energy: 5.696 local terms energy: -242.933004 where: bonds (distance) C4'-P energy: -57.910 bonds (distance) P-C4' energy: -71.091 flat angles C4'-P-C4' energy: -62.995 flat angles P-C4'-P energy: -27.055 tors. eta vs tors. theta energy: -23.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1513.968179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.968179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.968179 (E_RNA) where: Base-Base interactions energy: -1089.722 where: short stacking energy: -422.012 Base-Backbone interact. energy: -0.729 local terms energy: -423.516960 where: bonds (distance) C4'-P energy: -84.950 bonds (distance) P-C4' energy: -83.347 flat angles C4'-P-C4' energy: -92.070 flat angles P-C4'-P energy: -51.501 tors. eta vs tors. theta energy: -111.649 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: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1470.588768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.588768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.588768 (E_RNA) where: Base-Base interactions energy: -1042.232 where: short stacking energy: -434.017 Base-Backbone interact. energy: 4.083 local terms energy: -432.440084 where: bonds (distance) C4'-P energy: -81.977 bonds (distance) P-C4' energy: -79.918 flat angles C4'-P-C4' energy: -98.184 flat angles P-C4'-P energy: -55.027 tors. eta vs tors. theta energy: -117.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1403.276846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.276846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.276846 (E_RNA) where: Base-Base interactions energy: -983.864 where: short stacking energy: -420.340 Base-Backbone interact. energy: -4.146 local terms energy: -415.266653 where: bonds (distance) C4'-P energy: -81.483 bonds (distance) P-C4' energy: -84.645 flat angles C4'-P-C4' energy: -85.301 flat angles P-C4'-P energy: -59.292 tors. eta vs tors. theta energy: -104.546 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: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1352.965713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.965713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.965713 (E_RNA) where: Base-Base interactions energy: -949.586 where: short stacking energy: -405.850 Base-Backbone interact. energy: -0.452 local terms energy: -402.927136 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -79.103 flat angles C4'-P-C4' energy: -95.564 flat angles P-C4'-P energy: -55.489 tors. eta vs tors. theta energy: -101.804 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: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1264.838014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.838014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.838014 (E_RNA) where: Base-Base interactions energy: -889.283 where: short stacking energy: -358.068 Base-Backbone interact. energy: 0.496 local terms energy: -376.050311 where: bonds (distance) C4'-P energy: -79.234 bonds (distance) P-C4' energy: -75.314 flat angles C4'-P-C4' energy: -82.891 flat angles P-C4'-P energy: -48.274 tors. eta vs tors. theta energy: -90.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1198.209622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.209622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.209622 (E_RNA) where: Base-Base interactions energy: -800.656 where: short stacking energy: -374.056 Base-Backbone interact. energy: -0.194 local terms energy: -397.360268 where: bonds (distance) C4'-P energy: -77.039 bonds (distance) P-C4' energy: -69.188 flat angles C4'-P-C4' energy: -78.852 flat angles P-C4'-P energy: -63.085 tors. eta vs tors. theta energy: -109.196 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: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1096.827988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.827988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.827988 (E_RNA) where: Base-Base interactions energy: -744.697 where: short stacking energy: -317.267 Base-Backbone interact. energy: 3.318 local terms energy: -355.448609 where: bonds (distance) C4'-P energy: -67.861 bonds (distance) P-C4' energy: -76.608 flat angles C4'-P-C4' energy: -83.458 flat angles P-C4'-P energy: -50.154 tors. eta vs tors. theta energy: -77.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -927.508144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.508144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.508144 (E_RNA) where: Base-Base interactions energy: -608.481 where: short stacking energy: -296.187 Base-Backbone interact. energy: 0.997 local terms energy: -320.023368 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -61.371 flat angles C4'-P-C4' energy: -79.030 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -60.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -818.283114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.283114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.283114 (E_RNA) where: Base-Base interactions energy: -516.457 where: short stacking energy: -214.906 Base-Backbone interact. energy: -1.116 local terms energy: -300.709564 where: bonds (distance) C4'-P energy: -71.434 bonds (distance) P-C4' energy: -77.914 flat angles C4'-P-C4' energy: -64.729 flat angles P-C4'-P energy: -42.289 tors. eta vs tors. theta energy: -44.344 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: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -635.270538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.270538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.270538 (E_RNA) where: Base-Base interactions energy: -378.860 where: short stacking energy: -169.386 Base-Backbone interact. energy: -1.302 local terms energy: -255.108458 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -69.688 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -10.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1519.577440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.577440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.577440 (E_RNA) where: Base-Base interactions energy: -1067.376 where: short stacking energy: -406.090 Base-Backbone interact. energy: -3.487 local terms energy: -448.713842 where: bonds (distance) C4'-P energy: -84.622 bonds (distance) P-C4' energy: -94.936 flat angles C4'-P-C4' energy: -101.029 flat angles P-C4'-P energy: -53.767 tors. eta vs tors. theta energy: -114.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1515.869894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.869894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.869894 (E_RNA) where: Base-Base interactions energy: -1087.034 where: short stacking energy: -440.989 Base-Backbone interact. energy: 0.009 local terms energy: -428.845072 where: bonds (distance) C4'-P energy: -75.566 bonds (distance) P-C4' energy: -77.741 flat angles C4'-P-C4' energy: -88.825 flat angles P-C4'-P energy: -66.002 tors. eta vs tors. theta energy: -120.712 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: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1397.871617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.871617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.871617 (E_RNA) where: Base-Base interactions energy: -975.714 where: short stacking energy: -424.440 Base-Backbone interact. energy: 4.612 local terms energy: -426.769740 where: bonds (distance) C4'-P energy: -88.149 bonds (distance) P-C4' energy: -69.397 flat angles C4'-P-C4' energy: -87.720 flat angles P-C4'-P energy: -59.331 tors. eta vs tors. theta energy: -122.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1314.793598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.793598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.793598 (E_RNA) where: Base-Base interactions energy: -930.566 where: short stacking energy: -382.069 Base-Backbone interact. energy: -1.960 local terms energy: -382.268221 where: bonds (distance) C4'-P energy: -69.407 bonds (distance) P-C4' energy: -79.695 flat angles C4'-P-C4' energy: -77.866 flat angles P-C4'-P energy: -51.743 tors. eta vs tors. theta energy: -103.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1264.052395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.052395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.052395 (E_RNA) where: Base-Base interactions energy: -853.034 where: short stacking energy: -371.505 Base-Backbone interact. energy: -1.566 local terms energy: -409.452887 where: bonds (distance) C4'-P energy: -77.483 bonds (distance) P-C4' energy: -80.685 flat angles C4'-P-C4' energy: -95.516 flat angles P-C4'-P energy: -61.905 tors. eta vs tors. theta energy: -93.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1201.430808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.430808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.430808 (E_RNA) where: Base-Base interactions energy: -809.891 where: short stacking energy: -375.146 Base-Backbone interact. energy: -0.956 local terms energy: -390.583551 where: bonds (distance) C4'-P energy: -80.022 bonds (distance) P-C4' energy: -75.372 flat angles C4'-P-C4' energy: -68.906 flat angles P-C4'-P energy: -58.753 tors. eta vs tors. theta energy: -107.531 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: 8 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1125.453658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.453658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.453658 (E_RNA) where: Base-Base interactions energy: -749.862 where: short stacking energy: -341.374 Base-Backbone interact. energy: -0.813 local terms energy: -374.778714 where: bonds (distance) C4'-P energy: -62.573 bonds (distance) P-C4' energy: -70.946 flat angles C4'-P-C4' energy: -83.635 flat angles P-C4'-P energy: -58.175 tors. eta vs tors. theta energy: -99.450 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: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -909.789418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.789418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.789418 (E_RNA) where: Base-Base interactions energy: -577.471 where: short stacking energy: -289.938 Base-Backbone interact. energy: 1.438 local terms energy: -333.755728 where: bonds (distance) C4'-P energy: -76.981 bonds (distance) P-C4' energy: -72.192 flat angles C4'-P-C4' energy: -72.107 flat angles P-C4'-P energy: -40.487 tors. eta vs tors. theta energy: -71.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -851.800706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.800706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.800706 (E_RNA) where: Base-Base interactions energy: -574.563 where: short stacking energy: -248.172 Base-Backbone interact. energy: 1.017 local terms energy: -278.254656 where: bonds (distance) C4'-P energy: -51.057 bonds (distance) P-C4' energy: -75.798 flat angles C4'-P-C4' energy: -65.320 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -45.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -584.779557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.779557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.779557 (E_RNA) where: Base-Base interactions energy: -351.690 where: short stacking energy: -154.802 Base-Backbone interact. energy: -2.958 local terms energy: -230.130751 where: bonds (distance) C4'-P energy: -56.242 bonds (distance) P-C4' energy: -73.954 flat angles C4'-P-C4' energy: -54.769 flat angles P-C4'-P energy: -32.368 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1519.803392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.803392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.803392 (E_RNA) where: Base-Base interactions energy: -1087.750 where: short stacking energy: -438.040 Base-Backbone interact. energy: -2.758 local terms energy: -429.295151 where: bonds (distance) C4'-P energy: -85.939 bonds (distance) P-C4' energy: -81.270 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -57.766 tors. eta vs tors. theta energy: -115.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1510.822131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.822131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.822131 (E_RNA) where: Base-Base interactions energy: -1071.962 where: short stacking energy: -450.793 Base-Backbone interact. energy: -0.962 local terms energy: -437.897836 where: bonds (distance) C4'-P energy: -73.662 bonds (distance) P-C4' energy: -77.388 flat angles C4'-P-C4' energy: -99.068 flat angles P-C4'-P energy: -62.867 tors. eta vs tors. theta energy: -124.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1401.959398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.959398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.959398 (E_RNA) where: Base-Base interactions energy: -968.965 where: short stacking energy: -414.073 Base-Backbone interact. energy: -3.037 local terms energy: -429.958116 where: bonds (distance) C4'-P energy: -82.246 bonds (distance) P-C4' energy: -77.774 flat angles C4'-P-C4' energy: -92.641 flat angles P-C4'-P energy: -57.921 tors. eta vs tors. theta energy: -119.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1297.675962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.675962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.675962 (E_RNA) where: Base-Base interactions energy: -901.346 where: short stacking energy: -374.884 Base-Backbone interact. energy: -2.713 local terms energy: -393.617152 where: bonds (distance) C4'-P energy: -85.266 bonds (distance) P-C4' energy: -74.521 flat angles C4'-P-C4' energy: -80.022 flat angles P-C4'-P energy: -59.633 tors. eta vs tors. theta energy: -94.175 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: 3 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1314.852655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.852655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.852655 (E_RNA) where: Base-Base interactions energy: -927.762 where: short stacking energy: -398.049 Base-Backbone interact. energy: 5.102 local terms energy: -392.192475 where: bonds (distance) C4'-P energy: -73.353 bonds (distance) P-C4' energy: -74.618 flat angles C4'-P-C4' energy: -85.600 flat angles P-C4'-P energy: -60.114 tors. eta vs tors. theta energy: -98.508 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: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1174.457226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.457226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.457226 (E_RNA) where: Base-Base interactions energy: -807.554 where: short stacking energy: -332.093 Base-Backbone interact. energy: -1.729 local terms energy: -365.173596 where: bonds (distance) C4'-P energy: -71.064 bonds (distance) P-C4' energy: -77.778 flat angles C4'-P-C4' energy: -76.179 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -85.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1046.584395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.584395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.584395 (E_RNA) where: Base-Base interactions energy: -699.555 where: short stacking energy: -294.210 Base-Backbone interact. energy: 1.307 local terms energy: -348.336459 where: bonds (distance) C4'-P energy: -72.667 bonds (distance) P-C4' energy: -81.240 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -40.128 tors. eta vs tors. theta energy: -65.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -926.913578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.913578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.913578 (E_RNA) where: Base-Base interactions energy: -590.229 where: short stacking energy: -270.007 Base-Backbone interact. energy: -2.547 local terms energy: -334.137806 where: bonds (distance) C4'-P energy: -76.265 bonds (distance) P-C4' energy: -77.606 flat angles C4'-P-C4' energy: -64.008 flat angles P-C4'-P energy: -57.475 tors. eta vs tors. theta energy: -58.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -858.127831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.127831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.127831 (E_RNA) where: Base-Base interactions energy: -570.352 where: short stacking energy: -258.242 Base-Backbone interact. energy: -0.492 local terms energy: -287.283510 where: bonds (distance) C4'-P energy: -62.573 bonds (distance) P-C4' energy: -62.227 flat angles C4'-P-C4' energy: -59.381 flat angles P-C4'-P energy: -53.751 tors. eta vs tors. theta energy: -49.351 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: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -619.498896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.498896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.498896 (E_RNA) where: Base-Base interactions energy: -353.219 where: short stacking energy: -172.895 Base-Backbone interact. energy: -1.749 local terms energy: -264.531056 where: bonds (distance) C4'-P energy: -77.025 bonds (distance) P-C4' energy: -73.804 flat angles C4'-P-C4' energy: -58.091 flat angles P-C4'-P energy: -30.330 tors. eta vs tors. theta energy: -25.281 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: 233 Temperature: 0.900000 Total energy: -1515.613680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.613680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.613680 (E_RNA) where: Base-Base interactions energy: -1070.827 where: short stacking energy: -437.766 Base-Backbone interact. energy: -1.874 local terms energy: -442.912805 where: bonds (distance) C4'-P energy: -76.211 bonds (distance) P-C4' energy: -90.757 flat angles C4'-P-C4' energy: -95.457 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -120.158 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: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1520.733897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.733897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.733897 (E_RNA) where: Base-Base interactions energy: -1085.901 where: short stacking energy: -450.273 Base-Backbone interact. energy: -2.397 local terms energy: -432.436411 where: bonds (distance) C4'-P energy: -82.525 bonds (distance) P-C4' energy: -80.059 flat angles C4'-P-C4' energy: -92.456 flat angles P-C4'-P energy: -60.362 tors. eta vs tors. theta energy: -117.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1406.101327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.101327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.101327 (E_RNA) where: Base-Base interactions energy: -994.019 where: short stacking energy: -415.321 Base-Backbone interact. energy: -3.667 local terms energy: -408.414902 where: bonds (distance) C4'-P energy: -83.696 bonds (distance) P-C4' energy: -78.299 flat angles C4'-P-C4' energy: -81.967 flat angles P-C4'-P energy: -48.490 tors. eta vs tors. theta energy: -115.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1354.602823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.602823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.602823 (E_RNA) where: Base-Base interactions energy: -958.621 where: short stacking energy: -387.985 Base-Backbone interact. energy: -2.609 local terms energy: -393.372685 where: bonds (distance) C4'-P energy: -72.438 bonds (distance) P-C4' energy: -75.351 flat angles C4'-P-C4' energy: -74.350 flat angles P-C4'-P energy: -66.870 tors. eta vs tors. theta energy: -104.364 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: 6 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1271.374534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.374534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.374534 (E_RNA) where: Base-Base interactions energy: -859.728 where: short stacking energy: -360.343 Base-Backbone interact. energy: -2.506 local terms energy: -409.140029 where: bonds (distance) C4'-P energy: -90.146 bonds (distance) P-C4' energy: -78.675 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -55.009 tors. eta vs tors. theta energy: -93.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1169.745765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.745765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.745765 (E_RNA) where: Base-Base interactions energy: -807.288 where: short stacking energy: -355.774 Base-Backbone interact. energy: -0.305 local terms energy: -362.153277 where: bonds (distance) C4'-P energy: -65.436 bonds (distance) P-C4' energy: -79.196 flat angles C4'-P-C4' energy: -78.145 flat angles P-C4'-P energy: -54.280 tors. eta vs tors. theta energy: -85.096 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: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1066.690396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.690396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.690396 (E_RNA) where: Base-Base interactions energy: -686.115 where: short stacking energy: -305.808 Base-Backbone interact. energy: 0.169 local terms energy: -380.745249 where: bonds (distance) C4'-P energy: -84.977 bonds (distance) P-C4' energy: -92.468 flat angles C4'-P-C4' energy: -74.642 flat angles P-C4'-P energy: -50.872 tors. eta vs tors. theta energy: -77.787 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: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -940.131750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.131750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.131750 (E_RNA) where: Base-Base interactions energy: -606.866 where: short stacking energy: -303.078 Base-Backbone interact. energy: -0.260 local terms energy: -333.006141 where: bonds (distance) C4'-P energy: -63.239 bonds (distance) P-C4' energy: -75.287 flat angles C4'-P-C4' energy: -76.718 flat angles P-C4'-P energy: -50.992 tors. eta vs tors. theta energy: -66.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -854.855239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.855239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.855239 (E_RNA) where: Base-Base interactions energy: -559.911 where: short stacking energy: -241.233 Base-Backbone interact. energy: 1.606 local terms energy: -296.551120 where: bonds (distance) C4'-P energy: -75.210 bonds (distance) P-C4' energy: -81.144 flat angles C4'-P-C4' energy: -52.785 flat angles P-C4'-P energy: -48.818 tors. eta vs tors. theta energy: -38.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -623.938985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.938985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.938985 (E_RNA) where: Base-Base interactions energy: -382.030 where: short stacking energy: -164.137 Base-Backbone interact. energy: 0.146 local terms energy: -242.055654 where: bonds (distance) C4'-P energy: -72.520 bonds (distance) P-C4' energy: -63.567 flat angles C4'-P-C4' energy: -65.992 flat angles P-C4'-P energy: -28.516 tors. eta vs tors. theta energy: -11.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1522.975981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.975981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.975981 (E_RNA) where: Base-Base interactions energy: -1079.825 where: short stacking energy: -431.554 Base-Backbone interact. energy: -0.695 local terms energy: -442.456158 where: bonds (distance) C4'-P energy: -80.359 bonds (distance) P-C4' energy: -92.917 flat angles C4'-P-C4' energy: -91.894 flat angles P-C4'-P energy: -63.473 tors. eta vs tors. theta energy: -113.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1517.926041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.926041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.926041 (E_RNA) where: Base-Base interactions energy: -1076.217 where: short stacking energy: -455.580 Base-Backbone interact. energy: -3.641 local terms energy: -438.068276 where: bonds (distance) C4'-P energy: -75.631 bonds (distance) P-C4' energy: -78.214 flat angles C4'-P-C4' energy: -85.365 flat angles P-C4'-P energy: -71.215 tors. eta vs tors. theta energy: -127.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1432.006987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.006987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.006987 (E_RNA) where: Base-Base interactions energy: -1011.517 where: short stacking energy: -424.975 Base-Backbone interact. energy: -2.506 local terms energy: -417.984234 where: bonds (distance) C4'-P energy: -73.256 bonds (distance) P-C4' energy: -76.997 flat angles C4'-P-C4' energy: -97.235 flat angles P-C4'-P energy: -54.743 tors. eta vs tors. theta energy: -115.754 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: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1352.674273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.674273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.674273 (E_RNA) where: Base-Base interactions energy: -967.689 where: short stacking energy: -392.971 Base-Backbone interact. energy: -1.314 local terms energy: -383.671183 where: bonds (distance) C4'-P energy: -60.326 bonds (distance) P-C4' energy: -76.659 flat angles C4'-P-C4' energy: -78.211 flat angles P-C4'-P energy: -62.004 tors. eta vs tors. theta energy: -106.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1259.805183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.805183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.805183 (E_RNA) where: Base-Base interactions energy: -874.876 where: short stacking energy: -360.287 Base-Backbone interact. energy: -4.214 local terms energy: -380.715870 where: bonds (distance) C4'-P energy: -74.796 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -88.903 flat angles P-C4'-P energy: -48.882 tors. eta vs tors. theta energy: -98.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1161.626499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.626499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.626499 (E_RNA) where: Base-Base interactions energy: -806.027 where: short stacking energy: -362.593 Base-Backbone interact. energy: -2.210 local terms energy: -353.389697 where: bonds (distance) C4'-P energy: -73.332 bonds (distance) P-C4' energy: -65.830 flat angles C4'-P-C4' energy: -72.271 flat angles P-C4'-P energy: -49.305 tors. eta vs tors. theta energy: -92.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -998.363270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.363270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.363270 (E_RNA) where: Base-Base interactions energy: -653.659 where: short stacking energy: -310.975 Base-Backbone interact. energy: 1.650 local terms energy: -346.354322 where: bonds (distance) C4'-P energy: -64.843 bonds (distance) P-C4' energy: -74.311 flat angles C4'-P-C4' energy: -73.732 flat angles P-C4'-P energy: -50.351 tors. eta vs tors. theta energy: -83.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1013.377899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.377899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.377899 (E_RNA) where: Base-Base interactions energy: -682.047 where: short stacking energy: -302.191 Base-Backbone interact. energy: -0.787 local terms energy: -330.543832 where: bonds (distance) C4'-P energy: -64.898 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -87.287 flat angles P-C4'-P energy: -47.360 tors. eta vs tors. theta energy: -65.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -926.316020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.316020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.316020 (E_RNA) where: Base-Base interactions energy: -628.362 where: short stacking energy: -278.007 Base-Backbone interact. energy: -0.181 local terms energy: -297.772724 where: bonds (distance) C4'-P energy: -66.167 bonds (distance) P-C4' energy: -58.923 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -36.839 tors. eta vs tors. theta energy: -59.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -600.165142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.165142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.165142 (E_RNA) where: Base-Base interactions energy: -328.316 where: short stacking energy: -160.674 Base-Backbone interact. energy: -2.513 local terms energy: -269.335863 where: bonds (distance) C4'-P energy: -65.946 bonds (distance) P-C4' energy: -78.879 flat angles C4'-P-C4' energy: -68.746 flat angles P-C4'-P energy: -37.109 tors. eta vs tors. theta energy: -18.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1534.015314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.015314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.015314 (E_RNA) where: Base-Base interactions energy: -1088.393 where: short stacking energy: -409.042 Base-Backbone interact. energy: 0.936 local terms energy: -446.557529 where: bonds (distance) C4'-P energy: -85.443 bonds (distance) P-C4' energy: -88.451 flat angles C4'-P-C4' energy: -92.085 flat angles P-C4'-P energy: -68.546 tors. eta vs tors. theta energy: -112.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1509.217426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.217426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.217426 (E_RNA) where: Base-Base interactions energy: -1071.723 where: short stacking energy: -459.641 Base-Backbone interact. energy: -3.420 local terms energy: -434.074558 where: bonds (distance) C4'-P energy: -88.089 bonds (distance) P-C4' energy: -70.216 flat angles C4'-P-C4' energy: -83.409 flat angles P-C4'-P energy: -61.368 tors. eta vs tors. theta energy: -130.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1422.135366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.135366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.135366 (E_RNA) where: Base-Base interactions energy: -979.431 where: short stacking energy: -396.096 Base-Backbone interact. energy: -2.259 local terms energy: -440.444871 where: bonds (distance) C4'-P energy: -84.591 bonds (distance) P-C4' energy: -85.031 flat angles C4'-P-C4' energy: -95.882 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -122.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1368.059833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.059833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.059833 (E_RNA) where: Base-Base interactions energy: -954.532 where: short stacking energy: -391.988 Base-Backbone interact. energy: -1.371 local terms energy: -412.156367 where: bonds (distance) C4'-P energy: -79.576 bonds (distance) P-C4' energy: -78.076 flat angles C4'-P-C4' energy: -81.495 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -111.578 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: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1227.015719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.015719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.015719 (E_RNA) where: Base-Base interactions energy: -839.948 where: short stacking energy: -350.052 Base-Backbone interact. energy: 0.248 local terms energy: -387.315487 where: bonds (distance) C4'-P energy: -72.735 bonds (distance) P-C4' energy: -91.400 flat angles C4'-P-C4' energy: -75.648 flat angles P-C4'-P energy: -57.252 tors. eta vs tors. theta energy: -90.281 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: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1168.507147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.507147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.507147 (E_RNA) where: Base-Base interactions energy: -777.136 where: short stacking energy: -358.392 Base-Backbone interact. energy: 2.470 local terms energy: -393.840996 where: bonds (distance) C4'-P energy: -80.143 bonds (distance) P-C4' energy: -77.069 flat angles C4'-P-C4' energy: -86.462 flat angles P-C4'-P energy: -59.250 tors. eta vs tors. theta energy: -90.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -947.492686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.492686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.492686 (E_RNA) where: Base-Base interactions energy: -634.783 where: short stacking energy: -309.397 Base-Backbone interact. energy: -2.405 local terms energy: -310.304485 where: bonds (distance) C4'-P energy: -66.884 bonds (distance) P-C4' energy: -68.742 flat angles C4'-P-C4' energy: -71.520 flat angles P-C4'-P energy: -31.430 tors. eta vs tors. theta energy: -71.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1001.173769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.173769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.173769 (E_RNA) where: Base-Base interactions energy: -651.523 where: short stacking energy: -285.864 Base-Backbone interact. energy: -2.417 local terms energy: -347.234090 where: bonds (distance) C4'-P energy: -73.472 bonds (distance) P-C4' energy: -75.642 flat angles C4'-P-C4' energy: -89.202 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: -60.985 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: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -935.455624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.455624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.455624 (E_RNA) where: Base-Base interactions energy: -616.894 where: short stacking energy: -270.247 Base-Backbone interact. energy: 4.586 local terms energy: -323.147351 where: bonds (distance) C4'-P energy: -68.531 bonds (distance) P-C4' energy: -78.057 flat angles C4'-P-C4' energy: -68.545 flat angles P-C4'-P energy: -49.808 tors. eta vs tors. theta energy: -58.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -578.681853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.681853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.681853 (E_RNA) where: Base-Base interactions energy: -340.886 where: short stacking energy: -187.648 Base-Backbone interact. energy: 6.474 local terms energy: -244.269187 where: bonds (distance) C4'-P energy: -61.443 bonds (distance) P-C4' energy: -71.357 flat angles C4'-P-C4' energy: -65.504 flat angles P-C4'-P energy: -28.897 tors. eta vs tors. theta energy: -17.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1542.484810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.484810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.484810 (E_RNA) where: Base-Base interactions energy: -1111.467 where: short stacking energy: -429.480 Base-Backbone interact. energy: 2.215 local terms energy: -433.232962 where: bonds (distance) C4'-P energy: -87.623 bonds (distance) P-C4' energy: -76.181 flat angles C4'-P-C4' energy: -91.628 flat angles P-C4'-P energy: -60.465 tors. eta vs tors. theta energy: -117.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1506.027130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.027130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.027130 (E_RNA) where: Base-Base interactions energy: -1073.900 where: short stacking energy: -458.013 Base-Backbone interact. energy: -1.078 local terms energy: -431.049149 where: bonds (distance) C4'-P energy: -80.421 bonds (distance) P-C4' energy: -70.502 flat angles C4'-P-C4' energy: -92.952 flat angles P-C4'-P energy: -57.545 tors. eta vs tors. theta energy: -129.630 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: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1422.153483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.153483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.153483 (E_RNA) where: Base-Base interactions energy: -994.766 where: short stacking energy: -419.255 Base-Backbone interact. energy: -4.093 local terms energy: -423.294672 where: bonds (distance) C4'-P energy: -75.830 bonds (distance) P-C4' energy: -87.815 flat angles C4'-P-C4' energy: -84.442 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -123.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1344.985746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.985746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.985746 (E_RNA) where: Base-Base interactions energy: -935.270 where: short stacking energy: -393.992 Base-Backbone interact. energy: -2.602 local terms energy: -407.114216 where: bonds (distance) C4'-P energy: -87.413 bonds (distance) P-C4' energy: -73.084 flat angles C4'-P-C4' energy: -82.656 flat angles P-C4'-P energy: -57.772 tors. eta vs tors. theta energy: -106.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1199.331161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.331161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.331161 (E_RNA) where: Base-Base interactions energy: -811.476 where: short stacking energy: -343.989 Base-Backbone interact. energy: 0.605 local terms energy: -388.459902 where: bonds (distance) C4'-P energy: -84.666 bonds (distance) P-C4' energy: -78.551 flat angles C4'-P-C4' energy: -75.753 flat angles P-C4'-P energy: -57.717 tors. eta vs tors. theta energy: -91.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1141.006985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.006985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.006985 (E_RNA) where: Base-Base interactions energy: -778.256 where: short stacking energy: -343.130 Base-Backbone interact. energy: -2.336 local terms energy: -360.415576 where: bonds (distance) C4'-P energy: -66.101 bonds (distance) P-C4' energy: -72.731 flat angles C4'-P-C4' energy: -83.096 flat angles P-C4'-P energy: -59.374 tors. eta vs tors. theta energy: -79.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1045.604192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.604192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.604192 (E_RNA) where: Base-Base interactions energy: -701.939 where: short stacking energy: -319.921 Base-Backbone interact. energy: -2.219 local terms energy: -341.446450 where: bonds (distance) C4'-P energy: -77.032 bonds (distance) P-C4' energy: -71.001 flat angles C4'-P-C4' energy: -75.653 flat angles P-C4'-P energy: -41.427 tors. eta vs tors. theta energy: -76.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -892.344251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.344251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.344251 (E_RNA) where: Base-Base interactions energy: -563.595 where: short stacking energy: -272.208 Base-Backbone interact. energy: 1.306 local terms energy: -330.055107 where: bonds (distance) C4'-P energy: -80.767 bonds (distance) P-C4' energy: -69.777 flat angles C4'-P-C4' energy: -74.635 flat angles P-C4'-P energy: -49.264 tors. eta vs tors. theta energy: -55.612 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: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -938.187146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.187146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.187146 (E_RNA) where: Base-Base interactions energy: -639.802 where: short stacking energy: -275.732 Base-Backbone interact. energy: 0.318 local terms energy: -298.703906 where: bonds (distance) C4'-P energy: -45.537 bonds (distance) P-C4' energy: -73.908 flat angles C4'-P-C4' energy: -67.802 flat angles P-C4'-P energy: -51.042 tors. eta vs tors. theta energy: -60.415 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: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -586.114528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.114528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.114528 (E_RNA) where: Base-Base interactions energy: -337.646 where: short stacking energy: -160.424 Base-Backbone interact. energy: 4.000 local terms energy: -252.468543 where: bonds (distance) C4'-P energy: -83.700 bonds (distance) P-C4' energy: -64.675 flat angles C4'-P-C4' energy: -70.187 flat angles P-C4'-P energy: -30.648 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1554.860387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.860387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.860387 (E_RNA) where: Base-Base interactions energy: -1109.122 where: short stacking energy: -432.589 Base-Backbone interact. energy: -5.802 local terms energy: -439.936315 where: bonds (distance) C4'-P energy: -76.776 bonds (distance) P-C4' energy: -83.605 flat angles C4'-P-C4' energy: -101.676 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -116.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1473.571879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.571879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.571879 (E_RNA) where: Base-Base interactions energy: -1052.653 where: short stacking energy: -419.277 Base-Backbone interact. energy: -1.826 local terms energy: -419.092853 where: bonds (distance) C4'-P energy: -68.954 bonds (distance) P-C4' energy: -76.736 flat angles C4'-P-C4' energy: -88.041 flat angles P-C4'-P energy: -62.166 tors. eta vs tors. theta energy: -123.196 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: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1408.826178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.826178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.826178 (E_RNA) where: Base-Base interactions energy: -982.131 where: short stacking energy: -407.292 Base-Backbone interact. energy: -1.685 local terms energy: -425.010267 where: bonds (distance) C4'-P energy: -82.430 bonds (distance) P-C4' energy: -67.215 flat angles C4'-P-C4' energy: -94.777 flat angles P-C4'-P energy: -58.179 tors. eta vs tors. theta energy: -122.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1343.543244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.543244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.543244 (E_RNA) where: Base-Base interactions energy: -918.350 where: short stacking energy: -381.992 Base-Backbone interact. energy: -1.707 local terms energy: -423.486922 where: bonds (distance) C4'-P energy: -74.070 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -91.352 flat angles P-C4'-P energy: -61.489 tors. eta vs tors. theta energy: -111.125 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: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1232.562180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.562180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.562180 (E_RNA) where: Base-Base interactions energy: -852.563 where: short stacking energy: -343.463 Base-Backbone interact. energy: -0.679 local terms energy: -379.320224 where: bonds (distance) C4'-P energy: -78.069 bonds (distance) P-C4' energy: -86.487 flat angles C4'-P-C4' energy: -78.633 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: -89.137 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: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1171.258351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.258351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.258351 (E_RNA) where: Base-Base interactions energy: -796.553 where: short stacking energy: -344.392 Base-Backbone interact. energy: -1.657 local terms energy: -373.048693 where: bonds (distance) C4'-P energy: -83.304 bonds (distance) P-C4' energy: -74.947 flat angles C4'-P-C4' energy: -83.531 flat angles P-C4'-P energy: -45.174 tors. eta vs tors. theta energy: -86.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1045.951547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.951547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.951547 (E_RNA) where: Base-Base interactions energy: -693.605 where: short stacking energy: -315.314 Base-Backbone interact. energy: -0.408 local terms energy: -351.938677 where: bonds (distance) C4'-P energy: -62.345 bonds (distance) P-C4' energy: -71.225 flat angles C4'-P-C4' energy: -82.297 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: -72.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -967.286988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.286988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.286988 (E_RNA) where: Base-Base interactions energy: -630.732 where: short stacking energy: -291.741 Base-Backbone interact. energy: -0.327 local terms energy: -336.227736 where: bonds (distance) C4'-P energy: -75.122 bonds (distance) P-C4' energy: -53.697 flat angles C4'-P-C4' energy: -90.189 flat angles P-C4'-P energy: -47.703 tors. eta vs tors. theta energy: -69.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -901.636664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.636664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.636664 (E_RNA) where: Base-Base interactions energy: -571.561 where: short stacking energy: -265.784 Base-Backbone interact. energy: -1.378 local terms energy: -328.697233 where: bonds (distance) C4'-P energy: -80.599 bonds (distance) P-C4' energy: -72.410 flat angles C4'-P-C4' energy: -60.993 flat angles P-C4'-P energy: -42.151 tors. eta vs tors. theta energy: -72.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -592.937108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.937108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.937108 (E_RNA) where: Base-Base interactions energy: -319.765 where: short stacking energy: -160.726 Base-Backbone interact. energy: 1.759 local terms energy: -274.931089 where: bonds (distance) C4'-P energy: -75.630 bonds (distance) P-C4' energy: -64.732 flat angles C4'-P-C4' energy: -75.664 flat angles P-C4'-P energy: -48.832 tors. eta vs tors. theta energy: -10.073 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: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1522.687795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.687795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.687795 (E_RNA) where: Base-Base interactions energy: -1073.048 where: short stacking energy: -432.464 Base-Backbone interact. energy: -1.780 local terms energy: -447.859879 where: bonds (distance) C4'-P energy: -92.231 bonds (distance) P-C4' energy: -74.621 flat angles C4'-P-C4' energy: -91.688 flat angles P-C4'-P energy: -69.036 tors. eta vs tors. theta energy: -120.284 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: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1509.247864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.247864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.247864 (E_RNA) where: Base-Base interactions energy: -1075.560 where: short stacking energy: -425.861 Base-Backbone interact. energy: -1.771 local terms energy: -431.916509 where: bonds (distance) C4'-P energy: -75.467 bonds (distance) P-C4' energy: -94.444 flat angles C4'-P-C4' energy: -91.673 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -117.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1397.473948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.473948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.473948 (E_RNA) where: Base-Base interactions energy: -985.402 where: short stacking energy: -399.768 Base-Backbone interact. energy: -0.020 local terms energy: -412.051391 where: bonds (distance) C4'-P energy: -79.532 bonds (distance) P-C4' energy: -78.405 flat angles C4'-P-C4' energy: -90.399 flat angles P-C4'-P energy: -52.897 tors. eta vs tors. theta energy: -110.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1372.197047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.197047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.197047 (E_RNA) where: Base-Base interactions energy: -965.464 where: short stacking energy: -401.198 Base-Backbone interact. energy: -2.485 local terms energy: -404.248368 where: bonds (distance) C4'-P energy: -77.151 bonds (distance) P-C4' energy: -69.093 flat angles C4'-P-C4' energy: -91.674 flat angles P-C4'-P energy: -54.814 tors. eta vs tors. theta energy: -111.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1257.458584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.458584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.458584 (E_RNA) where: Base-Base interactions energy: -867.402 where: short stacking energy: -353.082 Base-Backbone interact. energy: -2.546 local terms energy: -387.510399 where: bonds (distance) C4'-P energy: -79.125 bonds (distance) P-C4' energy: -87.457 flat angles C4'-P-C4' energy: -85.618 flat angles P-C4'-P energy: -47.627 tors. eta vs tors. theta energy: -87.683 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: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1150.032054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.032054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.032054 (E_RNA) where: Base-Base interactions energy: -779.779 where: short stacking energy: -331.155 Base-Backbone interact. energy: -1.175 local terms energy: -369.078879 where: bonds (distance) C4'-P energy: -58.957 bonds (distance) P-C4' energy: -90.319 flat angles C4'-P-C4' energy: -76.321 flat angles P-C4'-P energy: -55.301 tors. eta vs tors. theta energy: -88.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1031.024990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.024990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.024990 (E_RNA) where: Base-Base interactions energy: -697.006 where: short stacking energy: -305.814 Base-Backbone interact. energy: -0.542 local terms energy: -333.476500 where: bonds (distance) C4'-P energy: -69.017 bonds (distance) P-C4' energy: -63.706 flat angles C4'-P-C4' energy: -72.121 flat angles P-C4'-P energy: -54.497 tors. eta vs tors. theta energy: -74.135 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: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -971.729058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.729058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.729058 (E_RNA) where: Base-Base interactions energy: -637.409 where: short stacking energy: -289.366 Base-Backbone interact. energy: -0.959 local terms energy: -333.361493 where: bonds (distance) C4'-P energy: -74.981 bonds (distance) P-C4' energy: -72.791 flat angles C4'-P-C4' energy: -80.999 flat angles P-C4'-P energy: -38.334 tors. eta vs tors. theta energy: -66.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -870.771481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.771481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.771481 (E_RNA) where: Base-Base interactions energy: -564.805 where: short stacking energy: -277.576 Base-Backbone interact. energy: -1.746 local terms energy: -304.220096 where: bonds (distance) C4'-P energy: -69.594 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -70.355 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -57.960 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: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -576.013726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.013726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.013726 (E_RNA) where: Base-Base interactions energy: -334.267 where: short stacking energy: -151.619 Base-Backbone interact. energy: -0.621 local terms energy: -241.125699 where: bonds (distance) C4'-P energy: -72.183 bonds (distance) P-C4' energy: -64.154 flat angles C4'-P-C4' energy: -67.983 flat angles P-C4'-P energy: -34.500 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1514.399691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.399691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.399691 (E_RNA) where: Base-Base interactions energy: -1050.651 where: short stacking energy: -419.990 Base-Backbone interact. energy: -1.699 local terms energy: -462.050262 where: bonds (distance) C4'-P energy: -85.354 bonds (distance) P-C4' energy: -95.401 flat angles C4'-P-C4' energy: -96.707 flat angles P-C4'-P energy: -60.681 tors. eta vs tors. theta energy: -123.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1506.784941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.784941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.784941 (E_RNA) where: Base-Base interactions energy: -1095.215 where: short stacking energy: -413.330 Base-Backbone interact. energy: -0.552 local terms energy: -411.017737 where: bonds (distance) C4'-P energy: -68.519 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -97.181 flat angles P-C4'-P energy: -49.390 tors. eta vs tors. theta energy: -113.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1413.167247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.167247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.167247 (E_RNA) where: Base-Base interactions energy: -974.827 where: short stacking energy: -395.963 Base-Backbone interact. energy: -2.098 local terms energy: -436.243097 where: bonds (distance) C4'-P energy: -84.991 bonds (distance) P-C4' energy: -86.361 flat angles C4'-P-C4' energy: -98.594 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -111.347 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: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1343.663392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.663392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.663392 (E_RNA) where: Base-Base interactions energy: -943.960 where: short stacking energy: -394.611 Base-Backbone interact. energy: 2.961 local terms energy: -402.664559 where: bonds (distance) C4'-P energy: -76.817 bonds (distance) P-C4' energy: -82.909 flat angles C4'-P-C4' energy: -76.452 flat angles P-C4'-P energy: -60.448 tors. eta vs tors. theta energy: -106.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1247.086052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.086052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.086052 (E_RNA) where: Base-Base interactions energy: -863.574 where: short stacking energy: -361.274 Base-Backbone interact. energy: -2.588 local terms energy: -380.923858 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -81.630 flat angles C4'-P-C4' energy: -87.594 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: -83.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1141.534118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.534118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.534118 (E_RNA) where: Base-Base interactions energy: -768.423 where: short stacking energy: -345.808 Base-Backbone interact. energy: -0.983 local terms energy: -372.127679 where: bonds (distance) C4'-P energy: -70.018 bonds (distance) P-C4' energy: -74.434 flat angles C4'-P-C4' energy: -81.013 flat angles P-C4'-P energy: -62.681 tors. eta vs tors. theta energy: -83.982 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: 7, replica: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1103.861317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.861317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.861317 (E_RNA) where: Base-Base interactions energy: -730.263 where: short stacking energy: -332.447 Base-Backbone interact. energy: -2.349 local terms energy: -371.249513 where: bonds (distance) C4'-P energy: -59.881 bonds (distance) P-C4' energy: -77.294 flat angles C4'-P-C4' energy: -88.466 flat angles P-C4'-P energy: -50.100 tors. eta vs tors. theta energy: -95.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -985.768057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.768057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.768057 (E_RNA) where: Base-Base interactions energy: -666.392 where: short stacking energy: -286.204 Base-Backbone interact. energy: -2.105 local terms energy: -317.271207 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -69.286 flat angles C4'-P-C4' energy: -79.054 flat angles P-C4'-P energy: -52.310 tors. eta vs tors. theta energy: -46.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -862.302317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.302317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.302317 (E_RNA) where: Base-Base interactions energy: -570.543 where: short stacking energy: -255.546 Base-Backbone interact. energy: 2.858 local terms energy: -294.617434 where: bonds (distance) C4'-P energy: -62.586 bonds (distance) P-C4' energy: -69.999 flat angles C4'-P-C4' energy: -73.276 flat angles P-C4'-P energy: -38.104 tors. eta vs tors. theta energy: -50.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -520.259896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.259896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.259896 (E_RNA) where: Base-Base interactions energy: -276.276 where: short stacking energy: -149.542 Base-Backbone interact. energy: -0.448 local terms energy: -243.535993 where: bonds (distance) C4'-P energy: -71.225 bonds (distance) P-C4' energy: -75.926 flat angles C4'-P-C4' energy: -55.571 flat angles P-C4'-P energy: -44.774 tors. eta vs tors. theta energy: 3.960 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: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1544.313311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.313311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.313311 (E_RNA) where: Base-Base interactions energy: -1108.675 where: short stacking energy: -427.612 Base-Backbone interact. energy: -1.202 local terms energy: -434.436199 where: bonds (distance) C4'-P energy: -81.421 bonds (distance) P-C4' energy: -84.966 flat angles C4'-P-C4' energy: -92.885 flat angles P-C4'-P energy: -56.773 tors. eta vs tors. theta energy: -118.391 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: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1489.868109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.868109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.868109 (E_RNA) where: Base-Base interactions energy: -1034.234 where: short stacking energy: -402.510 Base-Backbone interact. energy: -2.042 local terms energy: -453.592770 where: bonds (distance) C4'-P energy: -83.587 bonds (distance) P-C4' energy: -88.256 flat angles C4'-P-C4' energy: -92.515 flat angles P-C4'-P energy: -65.714 tors. eta vs tors. theta energy: -123.520 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: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1409.397029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.397029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.397029 (E_RNA) where: Base-Base interactions energy: -972.286 where: short stacking energy: -413.772 Base-Backbone interact. energy: -0.906 local terms energy: -436.204678 where: bonds (distance) C4'-P energy: -83.424 bonds (distance) P-C4' energy: -78.520 flat angles C4'-P-C4' energy: -96.136 flat angles P-C4'-P energy: -65.686 tors. eta vs tors. theta energy: -112.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1366.443205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.443205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.443205 (E_RNA) where: Base-Base interactions energy: -948.321 where: short stacking energy: -386.271 Base-Backbone interact. energy: -1.242 local terms energy: -416.879362 where: bonds (distance) C4'-P energy: -75.783 bonds (distance) P-C4' energy: -82.947 flat angles C4'-P-C4' energy: -83.009 flat angles P-C4'-P energy: -61.187 tors. eta vs tors. theta energy: -113.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1263.697526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.697526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.697526 (E_RNA) where: Base-Base interactions energy: -871.853 where: short stacking energy: -365.354 Base-Backbone interact. energy: -0.681 local terms energy: -391.163688 where: bonds (distance) C4'-P energy: -80.510 bonds (distance) P-C4' energy: -77.331 flat angles C4'-P-C4' energy: -85.625 flat angles P-C4'-P energy: -55.532 tors. eta vs tors. theta energy: -92.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1159.504650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.504650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.504650 (E_RNA) where: Base-Base interactions energy: -778.996 where: short stacking energy: -319.493 Base-Backbone interact. energy: 0.035 local terms energy: -380.544044 where: bonds (distance) C4'-P energy: -74.304 bonds (distance) P-C4' energy: -81.114 flat angles C4'-P-C4' energy: -82.208 flat angles P-C4'-P energy: -51.786 tors. eta vs tors. theta energy: -91.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1011.248222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.248222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.248222 (E_RNA) where: Base-Base interactions energy: -677.990 where: short stacking energy: -280.275 Base-Backbone interact. energy: -0.774 local terms energy: -332.483791 where: bonds (distance) C4'-P energy: -73.781 bonds (distance) P-C4' energy: -76.421 flat angles C4'-P-C4' energy: -73.998 flat angles P-C4'-P energy: -48.596 tors. eta vs tors. theta energy: -59.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1020.228206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.228206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.228206 (E_RNA) where: Base-Base interactions energy: -691.010 where: short stacking energy: -306.780 Base-Backbone interact. energy: -1.100 local terms energy: -328.117528 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -71.895 flat angles C4'-P-C4' energy: -72.619 flat angles P-C4'-P energy: -50.006 tors. eta vs tors. theta energy: -71.236 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: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -834.734892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.734892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.734892 (E_RNA) where: Base-Base interactions energy: -529.410 where: short stacking energy: -252.324 Base-Backbone interact. energy: -1.026 local terms energy: -304.298718 where: bonds (distance) C4'-P energy: -73.186 bonds (distance) P-C4' energy: -79.344 flat angles C4'-P-C4' energy: -73.155 flat angles P-C4'-P energy: -39.341 tors. eta vs tors. theta energy: -39.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -542.238548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.238548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.238548 (E_RNA) where: Base-Base interactions energy: -305.864 where: short stacking energy: -150.328 Base-Backbone interact. energy: -0.874 local terms energy: -235.500825 where: bonds (distance) C4'-P energy: -58.540 bonds (distance) P-C4' energy: -79.414 flat angles C4'-P-C4' energy: -61.258 flat angles P-C4'-P energy: -23.548 tors. eta vs tors. theta energy: -12.741 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: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1545.811983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.811983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.811983 (E_RNA) where: Base-Base interactions energy: -1098.320 where: short stacking energy: -429.412 Base-Backbone interact. energy: -1.495 local terms energy: -445.997266 where: bonds (distance) C4'-P energy: -93.497 bonds (distance) P-C4' energy: -85.142 flat angles C4'-P-C4' energy: -95.791 flat angles P-C4'-P energy: -55.269 tors. eta vs tors. theta energy: -116.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1501.929736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.929736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.929736 (E_RNA) where: Base-Base interactions energy: -1063.463 where: short stacking energy: -441.433 Base-Backbone interact. energy: -2.682 local terms energy: -435.784801 where: bonds (distance) C4'-P energy: -84.598 bonds (distance) P-C4' energy: -79.049 flat angles C4'-P-C4' energy: -89.208 flat angles P-C4'-P energy: -57.046 tors. eta vs tors. theta energy: -125.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1407.890998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.890998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.890998 (E_RNA) where: Base-Base interactions energy: -993.146 where: short stacking energy: -414.896 Base-Backbone interact. energy: 2.845 local terms energy: -417.590502 where: bonds (distance) C4'-P energy: -82.301 bonds (distance) P-C4' energy: -73.115 flat angles C4'-P-C4' energy: -97.493 flat angles P-C4'-P energy: -53.901 tors. eta vs tors. theta energy: -110.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1370.496411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.496411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.496411 (E_RNA) where: Base-Base interactions energy: -958.239 where: short stacking energy: -384.094 Base-Backbone interact. energy: -1.233 local terms energy: -411.023881 where: bonds (distance) C4'-P energy: -64.547 bonds (distance) P-C4' energy: -78.800 flat angles C4'-P-C4' energy: -95.042 flat angles P-C4'-P energy: -63.272 tors. eta vs tors. theta energy: -109.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1253.968451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.968451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.968451 (E_RNA) where: Base-Base interactions energy: -865.790 where: short stacking energy: -376.173 Base-Backbone interact. energy: -1.432 local terms energy: -386.746597 where: bonds (distance) C4'-P energy: -65.806 bonds (distance) P-C4' energy: -70.761 flat angles C4'-P-C4' energy: -94.040 flat angles P-C4'-P energy: -57.689 tors. eta vs tors. theta energy: -98.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1169.021779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.021779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.021779 (E_RNA) where: Base-Base interactions energy: -772.861 where: short stacking energy: -352.535 Base-Backbone interact. energy: 1.902 local terms energy: -398.062822 where: bonds (distance) C4'-P energy: -66.254 bonds (distance) P-C4' energy: -74.889 flat angles C4'-P-C4' energy: -95.406 flat angles P-C4'-P energy: -65.593 tors. eta vs tors. theta energy: -95.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1055.270953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.270953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.270953 (E_RNA) where: Base-Base interactions energy: -710.272 where: short stacking energy: -296.478 Base-Backbone interact. energy: -0.507 local terms energy: -344.492853 where: bonds (distance) C4'-P energy: -73.425 bonds (distance) P-C4' energy: -79.314 flat angles C4'-P-C4' energy: -78.083 flat angles P-C4'-P energy: -44.996 tors. eta vs tors. theta energy: -68.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1007.588674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.588674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.588674 (E_RNA) where: Base-Base interactions energy: -663.354 where: short stacking energy: -290.326 Base-Backbone interact. energy: 1.055 local terms energy: -345.289464 where: bonds (distance) C4'-P energy: -73.441 bonds (distance) P-C4' energy: -63.043 flat angles C4'-P-C4' energy: -79.974 flat angles P-C4'-P energy: -56.208 tors. eta vs tors. theta energy: -72.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -874.878228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.878228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.878228 (E_RNA) where: Base-Base interactions energy: -551.917 where: short stacking energy: -229.410 Base-Backbone interact. energy: 8.196 local terms energy: -331.157939 where: bonds (distance) C4'-P energy: -82.866 bonds (distance) P-C4' energy: -71.738 flat angles C4'-P-C4' energy: -73.902 flat angles P-C4'-P energy: -43.008 tors. eta vs tors. theta energy: -59.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -569.861375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.861375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.861375 (E_RNA) where: Base-Base interactions energy: -314.174 where: short stacking energy: -153.882 Base-Backbone interact. energy: -0.551 local terms energy: -255.136650 where: bonds (distance) C4'-P energy: -61.647 bonds (distance) P-C4' energy: -51.108 flat angles C4'-P-C4' energy: -66.635 flat angles P-C4'-P energy: -52.463 tors. eta vs tors. theta energy: -23.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1524.691934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.691934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.691934 (E_RNA) where: Base-Base interactions energy: -1072.286 where: short stacking energy: -421.988 Base-Backbone interact. energy: -4.427 local terms energy: -447.978830 where: bonds (distance) C4'-P energy: -87.391 bonds (distance) P-C4' energy: -89.653 flat angles C4'-P-C4' energy: -93.917 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: -115.725 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: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1481.199573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.199573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.199573 (E_RNA) where: Base-Base interactions energy: -1039.973 where: short stacking energy: -430.112 Base-Backbone interact. energy: -1.467 local terms energy: -439.760236 where: bonds (distance) C4'-P energy: -77.466 bonds (distance) P-C4' energy: -87.560 flat angles C4'-P-C4' energy: -93.916 flat angles P-C4'-P energy: -61.750 tors. eta vs tors. theta energy: -119.068 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: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1405.604792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.604792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.604792 (E_RNA) where: Base-Base interactions energy: -982.300 where: short stacking energy: -417.794 Base-Backbone interact. energy: -0.288 local terms energy: -423.016626 where: bonds (distance) C4'-P energy: -78.957 bonds (distance) P-C4' energy: -75.062 flat angles C4'-P-C4' energy: -86.078 flat angles P-C4'-P energy: -67.185 tors. eta vs tors. theta energy: -115.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1381.645764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.645764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.645764 (E_RNA) where: Base-Base interactions energy: -958.034 where: short stacking energy: -409.609 Base-Backbone interact. energy: 0.187 local terms energy: -423.798795 where: bonds (distance) C4'-P energy: -76.409 bonds (distance) P-C4' energy: -88.341 flat angles C4'-P-C4' energy: -85.257 flat angles P-C4'-P energy: -55.419 tors. eta vs tors. theta energy: -118.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1248.972916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.972916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.972916 (E_RNA) where: Base-Base interactions energy: -873.046 where: short stacking energy: -364.882 Base-Backbone interact. energy: -0.724 local terms energy: -375.203094 where: bonds (distance) C4'-P energy: -68.118 bonds (distance) P-C4' energy: -85.065 flat angles C4'-P-C4' energy: -86.440 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: -87.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1197.818921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.818921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.818921 (E_RNA) where: Base-Base interactions energy: -814.636 where: short stacking energy: -373.902 Base-Backbone interact. energy: -2.116 local terms energy: -381.066895 where: bonds (distance) C4'-P energy: -76.163 bonds (distance) P-C4' energy: -72.284 flat angles C4'-P-C4' energy: -77.912 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: -105.200 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: 242 Temperature: 1.200000 Total energy: -1064.794411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.794411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.794411 (E_RNA) where: Base-Base interactions energy: -710.554 where: short stacking energy: -292.363 Base-Backbone interact. energy: -1.612 local terms energy: -352.628323 where: bonds (distance) C4'-P energy: -83.442 bonds (distance) P-C4' energy: -74.459 flat angles C4'-P-C4' energy: -80.914 flat angles P-C4'-P energy: -49.406 tors. eta vs tors. theta energy: -64.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -998.048944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.048944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.048944 (E_RNA) where: Base-Base interactions energy: -667.811 where: short stacking energy: -296.758 Base-Backbone interact. energy: 2.980 local terms energy: -333.218095 where: bonds (distance) C4'-P energy: -67.360 bonds (distance) P-C4' energy: -78.154 flat angles C4'-P-C4' energy: -63.006 flat angles P-C4'-P energy: -48.619 tors. eta vs tors. theta energy: -76.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -895.369626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.369626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.369626 (E_RNA) where: Base-Base interactions energy: -575.878 where: short stacking energy: -269.262 Base-Backbone interact. energy: -0.604 local terms energy: -318.887782 where: bonds (distance) C4'-P energy: -62.811 bonds (distance) P-C4' energy: -68.976 flat angles C4'-P-C4' energy: -71.074 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: -60.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -566.076862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.076862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.076862 (E_RNA) where: Base-Base interactions energy: -325.111 where: short stacking energy: -171.002 Base-Backbone interact. energy: 0.244 local terms energy: -241.210403 where: bonds (distance) C4'-P energy: -67.757 bonds (distance) P-C4' energy: -66.379 flat angles C4'-P-C4' energy: -51.036 flat angles P-C4'-P energy: -38.079 tors. eta vs tors. theta energy: -17.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1525.941075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.941075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.941075 (E_RNA) where: Base-Base interactions energy: -1074.142 where: short stacking energy: -412.657 Base-Backbone interact. energy: 1.000 local terms energy: -452.799740 where: bonds (distance) C4'-P energy: -93.041 bonds (distance) P-C4' energy: -80.866 flat angles C4'-P-C4' energy: -96.955 flat angles P-C4'-P energy: -65.706 tors. eta vs tors. theta energy: -116.232 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: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1474.885524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.885524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.885524 (E_RNA) where: Base-Base interactions energy: -1043.519 where: short stacking energy: -429.743 Base-Backbone interact. energy: -2.749 local terms energy: -428.617757 where: bonds (distance) C4'-P energy: -78.821 bonds (distance) P-C4' energy: -79.130 flat angles C4'-P-C4' energy: -91.557 flat angles P-C4'-P energy: -57.248 tors. eta vs tors. theta energy: -121.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1371.010440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.010440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.010440 (E_RNA) where: Base-Base interactions energy: -969.141 where: short stacking energy: -407.252 Base-Backbone interact. energy: -0.269 local terms energy: -401.599608 where: bonds (distance) C4'-P energy: -67.228 bonds (distance) P-C4' energy: -75.854 flat angles C4'-P-C4' energy: -96.606 flat angles P-C4'-P energy: -56.163 tors. eta vs tors. theta energy: -105.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1359.147350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.147350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.147350 (E_RNA) where: Base-Base interactions energy: -936.849 where: short stacking energy: -396.744 Base-Backbone interact. energy: -1.412 local terms energy: -420.886645 where: bonds (distance) C4'-P energy: -77.262 bonds (distance) P-C4' energy: -80.247 flat angles C4'-P-C4' energy: -89.989 flat angles P-C4'-P energy: -56.745 tors. eta vs tors. theta energy: -116.644 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: 243 Temperature: 1.100000 Total energy: -1248.384901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.384901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.384901 (E_RNA) where: Base-Base interactions energy: -868.557 where: short stacking energy: -367.875 Base-Backbone interact. energy: 0.655 local terms energy: -380.482068 where: bonds (distance) C4'-P energy: -65.707 bonds (distance) P-C4' energy: -74.134 flat angles C4'-P-C4' energy: -87.232 flat angles P-C4'-P energy: -64.982 tors. eta vs tors. theta energy: -88.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1157.011818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.011818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.011818 (E_RNA) where: Base-Base interactions energy: -780.579 where: short stacking energy: -347.422 Base-Backbone interact. energy: -0.876 local terms energy: -375.556717 where: bonds (distance) C4'-P energy: -82.148 bonds (distance) P-C4' energy: -70.995 flat angles C4'-P-C4' energy: -79.817 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -90.793 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: 7, replica: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1086.163763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.163763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.163763 (E_RNA) where: Base-Base interactions energy: -727.301 where: short stacking energy: -316.130 Base-Backbone interact. energy: -1.631 local terms energy: -357.230824 where: bonds (distance) C4'-P energy: -79.062 bonds (distance) P-C4' energy: -69.335 flat angles C4'-P-C4' energy: -81.646 flat angles P-C4'-P energy: -51.845 tors. eta vs tors. theta energy: -75.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1066.957943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.957943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.957943 (E_RNA) where: Base-Base interactions energy: -727.043 where: short stacking energy: -319.331 Base-Backbone interact. energy: 2.371 local terms energy: -342.285685 where: bonds (distance) C4'-P energy: -75.729 bonds (distance) P-C4' energy: -65.915 flat angles C4'-P-C4' energy: -73.806 flat angles P-C4'-P energy: -51.940 tors. eta vs tors. theta energy: -74.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -888.320294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.320294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.320294 (E_RNA) where: Base-Base interactions energy: -554.754 where: short stacking energy: -264.183 Base-Backbone interact. energy: 0.349 local terms energy: -333.915030 where: bonds (distance) C4'-P energy: -59.378 bonds (distance) P-C4' energy: -74.613 flat angles C4'-P-C4' energy: -70.091 flat angles P-C4'-P energy: -61.410 tors. eta vs tors. theta energy: -68.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -568.779736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.779736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.779736 (E_RNA) where: Base-Base interactions energy: -337.827 where: short stacking energy: -166.888 Base-Backbone interact. energy: 4.960 local terms energy: -235.912693 where: bonds (distance) C4'-P energy: -58.403 bonds (distance) P-C4' energy: -73.201 flat angles C4'-P-C4' energy: -59.971 flat angles P-C4'-P energy: -36.605 tors. eta vs tors. theta energy: -7.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1540.567744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.567744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.567744 (E_RNA) where: Base-Base interactions energy: -1093.612 where: short stacking energy: -421.160 Base-Backbone interact. energy: 6.129 local terms energy: -453.084764 where: bonds (distance) C4'-P energy: -87.544 bonds (distance) P-C4' energy: -84.954 flat angles C4'-P-C4' energy: -91.415 flat angles P-C4'-P energy: -66.091 tors. eta vs tors. theta energy: -123.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1499.103847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.103847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.103847 (E_RNA) where: Base-Base interactions energy: -1062.984 where: short stacking energy: -432.748 Base-Backbone interact. energy: -3.063 local terms energy: -433.057270 where: bonds (distance) C4'-P energy: -66.368 bonds (distance) P-C4' energy: -80.958 flat angles C4'-P-C4' energy: -95.382 flat angles P-C4'-P energy: -65.284 tors. eta vs tors. theta energy: -125.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1434.647700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.647700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.647700 (E_RNA) where: Base-Base interactions energy: -990.058 where: short stacking energy: -431.501 Base-Backbone interact. energy: -0.843 local terms energy: -443.746912 where: bonds (distance) C4'-P energy: -75.482 bonds (distance) P-C4' energy: -83.329 flat angles C4'-P-C4' energy: -92.902 flat angles P-C4'-P energy: -63.017 tors. eta vs tors. theta energy: -129.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1359.164267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.164267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.164267 (E_RNA) where: Base-Base interactions energy: -937.963 where: short stacking energy: -367.114 Base-Backbone interact. energy: -1.973 local terms energy: -419.228152 where: bonds (distance) C4'-P energy: -84.744 bonds (distance) P-C4' energy: -83.500 flat angles C4'-P-C4' energy: -89.075 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -101.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1236.702316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.702316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.702316 (E_RNA) where: Base-Base interactions energy: -866.910 where: short stacking energy: -349.498 Base-Backbone interact. energy: -2.098 local terms energy: -367.693770 where: bonds (distance) C4'-P energy: -65.381 bonds (distance) P-C4' energy: -88.890 flat angles C4'-P-C4' energy: -64.093 flat angles P-C4'-P energy: -65.124 tors. eta vs tors. theta energy: -84.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1161.166026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.166026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.166026 (E_RNA) where: Base-Base interactions energy: -785.913 where: short stacking energy: -359.656 Base-Backbone interact. energy: -1.405 local terms energy: -373.848340 where: bonds (distance) C4'-P energy: -58.691 bonds (distance) P-C4' energy: -77.870 flat angles C4'-P-C4' energy: -87.674 flat angles P-C4'-P energy: -54.035 tors. eta vs tors. theta energy: -95.578 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: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1065.855048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.855048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.855048 (E_RNA) where: Base-Base interactions energy: -715.362 where: short stacking energy: -312.197 Base-Backbone interact. energy: -0.228 local terms energy: -350.265373 where: bonds (distance) C4'-P energy: -65.691 bonds (distance) P-C4' energy: -73.638 flat angles C4'-P-C4' energy: -85.992 flat angles P-C4'-P energy: -51.154 tors. eta vs tors. theta energy: -73.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -997.063685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.063685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.063685 (E_RNA) where: Base-Base interactions energy: -677.044 where: short stacking energy: -302.918 Base-Backbone interact. energy: -0.095 local terms energy: -319.924489 where: bonds (distance) C4'-P energy: -71.717 bonds (distance) P-C4' energy: -58.487 flat angles C4'-P-C4' energy: -74.177 flat angles P-C4'-P energy: -45.167 tors. eta vs tors. theta energy: -70.376 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: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -970.174426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.174426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.174426 (E_RNA) where: Base-Base interactions energy: -645.556 where: short stacking energy: -290.714 Base-Backbone interact. energy: 0.618 local terms energy: -325.236212 where: bonds (distance) C4'-P energy: -66.102 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -79.503 flat angles P-C4'-P energy: -49.670 tors. eta vs tors. theta energy: -55.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -545.906988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.906988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.906988 (E_RNA) where: Base-Base interactions energy: -291.197 where: short stacking energy: -148.182 Base-Backbone interact. energy: -1.208 local terms energy: -253.501491 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -80.960 flat angles C4'-P-C4' energy: -40.306 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -18.808 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: 245 Temperature: 0.900000 Total energy: -1538.805710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.805710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.805710 (E_RNA) where: Base-Base interactions energy: -1075.648 where: short stacking energy: -436.195 Base-Backbone interact. energy: 0.457 local terms energy: -463.614677 where: bonds (distance) C4'-P energy: -91.943 bonds (distance) P-C4' energy: -93.860 flat angles C4'-P-C4' energy: -92.844 flat angles P-C4'-P energy: -62.841 tors. eta vs tors. theta energy: -122.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1433.642203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.642203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.642203 (E_RNA) where: Base-Base interactions energy: -986.931 where: short stacking energy: -426.890 Base-Backbone interact. energy: -3.916 local terms energy: -442.795013 where: bonds (distance) C4'-P energy: -80.273 bonds (distance) P-C4' energy: -81.793 flat angles C4'-P-C4' energy: -92.569 flat angles P-C4'-P energy: -60.150 tors. eta vs tors. theta energy: -128.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1463.537600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.537600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.537600 (E_RNA) where: Base-Base interactions energy: -1035.300 where: short stacking energy: -429.520 Base-Backbone interact. energy: -1.731 local terms energy: -426.506376 where: bonds (distance) C4'-P energy: -74.256 bonds (distance) P-C4' energy: -84.960 flat angles C4'-P-C4' energy: -95.583 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -119.765 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: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1348.505306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.505306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.505306 (E_RNA) where: Base-Base interactions energy: -956.314 where: short stacking energy: -406.932 Base-Backbone interact. energy: -2.199 local terms energy: -389.991995 where: bonds (distance) C4'-P energy: -66.184 bonds (distance) P-C4' energy: -76.144 flat angles C4'-P-C4' energy: -75.536 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: -112.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1240.502518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.502518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.502518 (E_RNA) where: Base-Base interactions energy: -856.117 where: short stacking energy: -373.185 Base-Backbone interact. energy: -2.037 local terms energy: -382.349268 where: bonds (distance) C4'-P energy: -77.756 bonds (distance) P-C4' energy: -76.399 flat angles C4'-P-C4' energy: -77.224 flat angles P-C4'-P energy: -56.075 tors. eta vs tors. theta energy: -94.895 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: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1125.703471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.703471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.703471 (E_RNA) where: Base-Base interactions energy: -766.254 where: short stacking energy: -351.475 Base-Backbone interact. energy: 1.344 local terms energy: -360.794314 where: bonds (distance) C4'-P energy: -67.140 bonds (distance) P-C4' energy: -67.711 flat angles C4'-P-C4' energy: -90.991 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: -94.069 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: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1154.770284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.770284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.770284 (E_RNA) where: Base-Base interactions energy: -777.460 where: short stacking energy: -361.290 Base-Backbone interact. energy: -1.180 local terms energy: -376.130715 where: bonds (distance) C4'-P energy: -75.940 bonds (distance) P-C4' energy: -77.872 flat angles C4'-P-C4' energy: -72.871 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -101.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -994.145441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.145441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.145441 (E_RNA) where: Base-Base interactions energy: -638.478 where: short stacking energy: -319.140 Base-Backbone interact. energy: -1.065 local terms energy: -354.602619 where: bonds (distance) C4'-P energy: -62.502 bonds (distance) P-C4' energy: -77.243 flat angles C4'-P-C4' energy: -90.171 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -78.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -829.130129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.130129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.130129 (E_RNA) where: Base-Base interactions energy: -550.282 where: short stacking energy: -241.205 Base-Backbone interact. energy: -1.973 local terms energy: -276.875237 where: bonds (distance) C4'-P energy: -62.477 bonds (distance) P-C4' energy: -65.414 flat angles C4'-P-C4' energy: -64.231 flat angles P-C4'-P energy: -44.011 tors. eta vs tors. theta energy: -40.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -568.772035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.772035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.772035 (E_RNA) where: Base-Base interactions energy: -299.891 where: short stacking energy: -177.592 Base-Backbone interact. energy: 2.290 local terms energy: -271.171708 where: bonds (distance) C4'-P energy: -61.341 bonds (distance) P-C4' energy: -63.746 flat angles C4'-P-C4' energy: -74.415 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -20.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1523.162314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.162314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.162314 (E_RNA) where: Base-Base interactions energy: -1084.848 where: short stacking energy: -433.307 Base-Backbone interact. energy: -1.824 local terms energy: -436.490662 where: bonds (distance) C4'-P energy: -85.909 bonds (distance) P-C4' energy: -88.811 flat angles C4'-P-C4' energy: -86.213 flat angles P-C4'-P energy: -59.661 tors. eta vs tors. theta energy: -115.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1436.161148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.161148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.161148 (E_RNA) where: Base-Base interactions energy: -997.943 where: short stacking energy: -427.506 Base-Backbone interact. energy: -2.367 local terms energy: -435.851841 where: bonds (distance) C4'-P energy: -85.018 bonds (distance) P-C4' energy: -80.508 flat angles C4'-P-C4' energy: -88.820 flat angles P-C4'-P energy: -59.443 tors. eta vs tors. theta energy: -122.063 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: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1461.020547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.020547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.020547 (E_RNA) where: Base-Base interactions energy: -1029.579 where: short stacking energy: -427.940 Base-Backbone interact. energy: 0.331 local terms energy: -431.772687 where: bonds (distance) C4'-P energy: -76.535 bonds (distance) P-C4' energy: -74.143 flat angles C4'-P-C4' energy: -93.544 flat angles P-C4'-P energy: -67.009 tors. eta vs tors. theta energy: -120.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1328.589706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.589706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.589706 (E_RNA) where: Base-Base interactions energy: -935.936 where: short stacking energy: -401.474 Base-Backbone interact. energy: -1.416 local terms energy: -391.237990 where: bonds (distance) C4'-P energy: -71.099 bonds (distance) P-C4' energy: -58.251 flat angles C4'-P-C4' energy: -97.221 flat angles P-C4'-P energy: -61.230 tors. eta vs tors. theta energy: -103.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1232.241825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.241825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.241825 (E_RNA) where: Base-Base interactions energy: -850.352 where: short stacking energy: -368.844 Base-Backbone interact. energy: 1.495 local terms energy: -383.385447 where: bonds (distance) C4'-P energy: -81.383 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -84.634 flat angles P-C4'-P energy: -52.890 tors. eta vs tors. theta energy: -89.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1125.366327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.366327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.366327 (E_RNA) where: Base-Base interactions energy: -738.348 where: short stacking energy: -321.952 Base-Backbone interact. energy: -1.272 local terms energy: -385.746160 where: bonds (distance) C4'-P energy: -73.184 bonds (distance) P-C4' energy: -86.126 flat angles C4'-P-C4' energy: -87.711 flat angles P-C4'-P energy: -59.034 tors. eta vs tors. theta energy: -79.692 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: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1158.149079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.149079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.149079 (E_RNA) where: Base-Base interactions energy: -780.734 where: short stacking energy: -348.310 Base-Backbone interact. energy: -1.335 local terms energy: -376.079962 where: bonds (distance) C4'-P energy: -75.688 bonds (distance) P-C4' energy: -89.900 flat angles C4'-P-C4' energy: -76.386 flat angles P-C4'-P energy: -37.097 tors. eta vs tors. theta energy: -97.009 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: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -974.697127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.697127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.697127 (E_RNA) where: Base-Base interactions energy: -655.281 where: short stacking energy: -279.798 Base-Backbone interact. energy: -0.968 local terms energy: -318.447939 where: bonds (distance) C4'-P energy: -60.356 bonds (distance) P-C4' energy: -65.516 flat angles C4'-P-C4' energy: -74.866 flat angles P-C4'-P energy: -50.575 tors. eta vs tors. theta energy: -67.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -792.017497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.017497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.017497 (E_RNA) where: Base-Base interactions energy: -506.292 where: short stacking energy: -218.410 Base-Backbone interact. energy: 0.265 local terms energy: -285.991291 where: bonds (distance) C4'-P energy: -65.233 bonds (distance) P-C4' energy: -66.420 flat angles C4'-P-C4' energy: -63.709 flat angles P-C4'-P energy: -45.035 tors. eta vs tors. theta energy: -45.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -532.883023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.883023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.883023 (E_RNA) where: Base-Base interactions energy: -292.685 where: short stacking energy: -160.928 Base-Backbone interact. energy: 0.130 local terms energy: -240.328784 where: bonds (distance) C4'-P energy: -71.441 bonds (distance) P-C4' energy: -72.982 flat angles C4'-P-C4' energy: -52.295 flat angles P-C4'-P energy: -41.125 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1521.493563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.493563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.493563 (E_RNA) where: Base-Base interactions energy: -1074.651 where: short stacking energy: -441.739 Base-Backbone interact. energy: -2.085 local terms energy: -444.757285 where: bonds (distance) C4'-P energy: -78.797 bonds (distance) P-C4' energy: -75.878 flat angles C4'-P-C4' energy: -95.622 flat angles P-C4'-P energy: -68.375 tors. eta vs tors. theta energy: -126.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1463.062353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.062353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.062353 (E_RNA) where: Base-Base interactions energy: -1046.619 where: short stacking energy: -435.368 Base-Backbone interact. energy: -1.805 local terms energy: -414.637760 where: bonds (distance) C4'-P energy: -76.073 bonds (distance) P-C4' energy: -81.488 flat angles C4'-P-C4' energy: -89.432 flat angles P-C4'-P energy: -47.538 tors. eta vs tors. theta energy: -120.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1396.197771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.197771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.197771 (E_RNA) where: Base-Base interactions energy: -969.732 where: short stacking energy: -413.827 Base-Backbone interact. energy: -1.493 local terms energy: -424.973660 where: bonds (distance) C4'-P energy: -85.569 bonds (distance) P-C4' energy: -77.170 flat angles C4'-P-C4' energy: -89.814 flat angles P-C4'-P energy: -54.741 tors. eta vs tors. theta energy: -117.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1332.708095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.708095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.708095 (E_RNA) where: Base-Base interactions energy: -919.129 where: short stacking energy: -399.905 Base-Backbone interact. energy: -1.110 local terms energy: -412.469561 where: bonds (distance) C4'-P energy: -78.016 bonds (distance) P-C4' energy: -83.774 flat angles C4'-P-C4' energy: -92.401 flat angles P-C4'-P energy: -50.542 tors. eta vs tors. theta energy: -107.736 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: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1235.786847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.786847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.786847 (E_RNA) where: Base-Base interactions energy: -858.436 where: short stacking energy: -348.469 Base-Backbone interact. energy: 3.792 local terms energy: -381.143350 where: bonds (distance) C4'-P energy: -70.785 bonds (distance) P-C4' energy: -88.178 flat angles C4'-P-C4' energy: -75.352 flat angles P-C4'-P energy: -53.956 tors. eta vs tors. theta energy: -92.873 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: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1209.663370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.663370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.663370 (E_RNA) where: Base-Base interactions energy: -828.029 where: short stacking energy: -341.315 Base-Backbone interact. energy: -1.230 local terms energy: -380.404184 where: bonds (distance) C4'-P energy: -76.973 bonds (distance) P-C4' energy: -73.213 flat angles C4'-P-C4' energy: -77.824 flat angles P-C4'-P energy: -56.297 tors. eta vs tors. theta energy: -96.098 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: 247 Temperature: 1.200000 Total energy: -1038.034424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.034424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.034424 (E_RNA) where: Base-Base interactions energy: -695.261 where: short stacking energy: -311.955 Base-Backbone interact. energy: -0.573 local terms energy: -342.200508 where: bonds (distance) C4'-P energy: -59.747 bonds (distance) P-C4' energy: -71.840 flat angles C4'-P-C4' energy: -87.210 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: -67.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1020.090494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.090494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.090494 (E_RNA) where: Base-Base interactions energy: -706.145 where: short stacking energy: -316.942 Base-Backbone interact. energy: -1.102 local terms energy: -312.843667 where: bonds (distance) C4'-P energy: -59.065 bonds (distance) P-C4' energy: -68.063 flat angles C4'-P-C4' energy: -70.664 flat angles P-C4'-P energy: -43.220 tors. eta vs tors. theta energy: -71.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -777.192869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.192869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.192869 (E_RNA) where: Base-Base interactions energy: -497.909 where: short stacking energy: -231.062 Base-Backbone interact. energy: 0.304 local terms energy: -279.587620 where: bonds (distance) C4'-P energy: -64.795 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -65.339 flat angles P-C4'-P energy: -42.477 tors. eta vs tors. theta energy: -44.789 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: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -532.174080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.174080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.174080 (E_RNA) where: Base-Base interactions energy: -263.109 where: short stacking energy: -163.187 Base-Backbone interact. energy: -0.981 local terms energy: -268.084169 where: bonds (distance) C4'-P energy: -66.967 bonds (distance) P-C4' energy: -87.015 flat angles C4'-P-C4' energy: -60.735 flat angles P-C4'-P energy: -44.096 tors. eta vs tors. theta energy: -9.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1536.084478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.084478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.084478 (E_RNA) where: Base-Base interactions energy: -1083.888 where: short stacking energy: -441.767 Base-Backbone interact. energy: -2.064 local terms energy: -450.132214 where: bonds (distance) C4'-P energy: -80.424 bonds (distance) P-C4' energy: -92.233 flat angles C4'-P-C4' energy: -99.210 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -128.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1455.587290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.587290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.587290 (E_RNA) where: Base-Base interactions energy: -1031.478 where: short stacking energy: -426.891 Base-Backbone interact. energy: -3.174 local terms energy: -420.934886 where: bonds (distance) C4'-P energy: -79.165 bonds (distance) P-C4' energy: -78.379 flat angles C4'-P-C4' energy: -88.675 flat angles P-C4'-P energy: -54.033 tors. eta vs tors. theta energy: -120.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1426.870460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.870460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.870460 (E_RNA) where: Base-Base interactions energy: -1006.778 where: short stacking energy: -445.203 Base-Backbone interact. energy: -0.821 local terms energy: -419.271279 where: bonds (distance) C4'-P energy: -82.901 bonds (distance) P-C4' energy: -70.531 flat angles C4'-P-C4' energy: -90.590 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -121.610 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: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1348.020891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.020891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.020891 (E_RNA) where: Base-Base interactions energy: -932.337 where: short stacking energy: -382.188 Base-Backbone interact. energy: 0.684 local terms energy: -416.368193 where: bonds (distance) C4'-P energy: -82.603 bonds (distance) P-C4' energy: -77.674 flat angles C4'-P-C4' energy: -94.674 flat angles P-C4'-P energy: -59.102 tors. eta vs tors. theta energy: -102.314 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: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1243.495375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.495375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.495375 (E_RNA) where: Base-Base interactions energy: -867.376 where: short stacking energy: -367.895 Base-Backbone interact. energy: -0.090 local terms energy: -376.029468 where: bonds (distance) C4'-P energy: -77.014 bonds (distance) P-C4' energy: -75.988 flat angles C4'-P-C4' energy: -85.008 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: -87.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1236.068943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.068943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.068943 (E_RNA) where: Base-Base interactions energy: -856.090 where: short stacking energy: -368.671 Base-Backbone interact. energy: -0.924 local terms energy: -379.055811 where: bonds (distance) C4'-P energy: -72.967 bonds (distance) P-C4' energy: -73.421 flat angles C4'-P-C4' energy: -80.724 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -98.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1058.296778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.296778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.296778 (E_RNA) where: Base-Base interactions energy: -728.629 where: short stacking energy: -307.667 Base-Backbone interact. energy: 0.594 local terms energy: -330.261218 where: bonds (distance) C4'-P energy: -66.022 bonds (distance) P-C4' energy: -65.309 flat angles C4'-P-C4' energy: -84.373 flat angles P-C4'-P energy: -45.642 tors. eta vs tors. theta energy: -68.915 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: 248 Temperature: 1.250000 Total energy: -982.279010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.279010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.279010 (E_RNA) where: Base-Base interactions energy: -667.894 where: short stacking energy: -291.021 Base-Backbone interact. energy: -1.402 local terms energy: -312.983425 where: bonds (distance) C4'-P energy: -60.770 bonds (distance) P-C4' energy: -74.751 flat angles C4'-P-C4' energy: -75.408 flat angles P-C4'-P energy: -43.144 tors. eta vs tors. theta energy: -58.912 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: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -777.048195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.048195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.048195 (E_RNA) where: Base-Base interactions energy: -478.477 where: short stacking energy: -232.038 Base-Backbone interact. energy: -0.997 local terms energy: -297.573847 where: bonds (distance) C4'-P energy: -53.830 bonds (distance) P-C4' energy: -82.021 flat angles C4'-P-C4' energy: -76.459 flat angles P-C4'-P energy: -36.867 tors. eta vs tors. theta energy: -48.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -513.255402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.255402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.255402 (E_RNA) where: Base-Base interactions energy: -273.956 where: short stacking energy: -136.535 Base-Backbone interact. energy: -1.705 local terms energy: -237.594216 where: bonds (distance) C4'-P energy: -55.438 bonds (distance) P-C4' energy: -86.092 flat angles C4'-P-C4' energy: -62.523 flat angles P-C4'-P energy: -23.504 tors. eta vs tors. theta energy: -10.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1542.246048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.246048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.246048 (E_RNA) where: Base-Base interactions energy: -1079.075 where: short stacking energy: -425.372 Base-Backbone interact. energy: 0.098 local terms energy: -463.269326 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -91.731 flat angles C4'-P-C4' energy: -90.574 flat angles P-C4'-P energy: -67.743 tors. eta vs tors. theta energy: -124.623 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: 2, replica: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1427.676828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.676828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.676828 (E_RNA) where: Base-Base interactions energy: -995.763 where: short stacking energy: -394.496 Base-Backbone interact. energy: 0.536 local terms energy: -432.449923 where: bonds (distance) C4'-P energy: -75.794 bonds (distance) P-C4' energy: -88.969 flat angles C4'-P-C4' energy: -94.903 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: -113.483 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: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1433.213933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.213933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.213933 (E_RNA) where: Base-Base interactions energy: -988.284 where: short stacking energy: -402.445 Base-Backbone interact. energy: -2.584 local terms energy: -442.345555 where: bonds (distance) C4'-P energy: -83.972 bonds (distance) P-C4' energy: -88.024 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -66.657 tors. eta vs tors. theta energy: -116.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1340.150372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.150372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.150372 (E_RNA) where: Base-Base interactions energy: -940.467 where: short stacking energy: -394.901 Base-Backbone interact. energy: -2.461 local terms energy: -397.222941 where: bonds (distance) C4'-P energy: -75.708 bonds (distance) P-C4' energy: -67.793 flat angles C4'-P-C4' energy: -90.746 flat angles P-C4'-P energy: -62.571 tors. eta vs tors. theta energy: -100.405 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: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1217.837096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.837096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.837096 (E_RNA) where: Base-Base interactions energy: -850.839 where: short stacking energy: -350.689 Base-Backbone interact. energy: -2.434 local terms energy: -364.563834 where: bonds (distance) C4'-P energy: -75.266 bonds (distance) P-C4' energy: -76.665 flat angles C4'-P-C4' energy: -82.945 flat angles P-C4'-P energy: -58.677 tors. eta vs tors. theta energy: -71.012 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: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1191.774816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.774816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.774816 (E_RNA) where: Base-Base interactions energy: -818.059 where: short stacking energy: -350.152 Base-Backbone interact. energy: 2.262 local terms energy: -375.977371 where: bonds (distance) C4'-P energy: -91.116 bonds (distance) P-C4' energy: -71.280 flat angles C4'-P-C4' energy: -69.200 flat angles P-C4'-P energy: -43.561 tors. eta vs tors. theta energy: -100.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1054.884857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.884857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.884857 (E_RNA) where: Base-Base interactions energy: -692.458 where: short stacking energy: -318.092 Base-Backbone interact. energy: -2.040 local terms energy: -360.386811 where: bonds (distance) C4'-P energy: -76.373 bonds (distance) P-C4' energy: -77.119 flat angles C4'-P-C4' energy: -75.477 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -76.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -989.921310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.921310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.921310 (E_RNA) where: Base-Base interactions energy: -659.567 where: short stacking energy: -297.022 Base-Backbone interact. energy: -0.877 local terms energy: -329.477653 where: bonds (distance) C4'-P energy: -72.283 bonds (distance) P-C4' energy: -78.063 flat angles C4'-P-C4' energy: -72.918 flat angles P-C4'-P energy: -37.609 tors. eta vs tors. theta energy: -68.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -802.486376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.486376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.486376 (E_RNA) where: Base-Base interactions energy: -503.831 where: short stacking energy: -252.878 Base-Backbone interact. energy: -0.936 local terms energy: -297.719626 where: bonds (distance) C4'-P energy: -65.351 bonds (distance) P-C4' energy: -72.021 flat angles C4'-P-C4' energy: -72.942 flat angles P-C4'-P energy: -38.821 tors. eta vs tors. theta energy: -48.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -570.379059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.379059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.379059 (E_RNA) where: Base-Base interactions energy: -319.660 where: short stacking energy: -155.304 Base-Backbone interact. energy: -1.294 local terms energy: -249.424668 where: bonds (distance) C4'-P energy: -68.524 bonds (distance) P-C4' energy: -67.426 flat angles C4'-P-C4' energy: -51.490 flat angles P-C4'-P energy: -52.814 tors. eta vs tors. theta energy: -9.170 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: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1545.486594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.486594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.486594 (E_RNA) where: Base-Base interactions energy: -1094.253 where: short stacking energy: -419.085 Base-Backbone interact. energy: -0.199 local terms energy: -451.034312 where: bonds (distance) C4'-P energy: -78.765 bonds (distance) P-C4' energy: -86.191 flat angles C4'-P-C4' energy: -97.821 flat angles P-C4'-P energy: -67.723 tors. eta vs tors. theta energy: -120.535 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: 2, replica: 10 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1451.662477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.662477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.662477 (E_RNA) where: Base-Base interactions energy: -1038.300 where: short stacking energy: -423.702 Base-Backbone interact. energy: -1.119 local terms energy: -412.243412 where: bonds (distance) C4'-P energy: -76.141 bonds (distance) P-C4' energy: -75.372 flat angles C4'-P-C4' energy: -92.864 flat angles P-C4'-P energy: -51.022 tors. eta vs tors. theta energy: -116.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1397.278447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.278447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.278447 (E_RNA) where: Base-Base interactions energy: -963.384 where: short stacking energy: -405.153 Base-Backbone interact. energy: -2.842 local terms energy: -431.052039 where: bonds (distance) C4'-P energy: -92.676 bonds (distance) P-C4' energy: -72.044 flat angles C4'-P-C4' energy: -88.770 flat angles P-C4'-P energy: -58.080 tors. eta vs tors. theta energy: -119.482 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: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1334.346147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.346147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.346147 (E_RNA) where: Base-Base interactions energy: -932.386 where: short stacking energy: -386.754 Base-Backbone interact. energy: -1.902 local terms energy: -400.057344 where: bonds (distance) C4'-P energy: -84.344 bonds (distance) P-C4' energy: -71.227 flat angles C4'-P-C4' energy: -88.843 flat angles P-C4'-P energy: -50.104 tors. eta vs tors. theta energy: -105.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1227.153027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.153027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.153027 (E_RNA) where: Base-Base interactions energy: -845.324 where: short stacking energy: -353.060 Base-Backbone interact. energy: -0.833 local terms energy: -380.995736 where: bonds (distance) C4'-P energy: -77.495 bonds (distance) P-C4' energy: -77.520 flat angles C4'-P-C4' energy: -82.150 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -94.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1208.500040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.500040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.500040 (E_RNA) where: Base-Base interactions energy: -808.123 where: short stacking energy: -342.453 Base-Backbone interact. energy: -1.580 local terms energy: -398.796399 where: bonds (distance) C4'-P energy: -92.662 bonds (distance) P-C4' energy: -71.285 flat angles C4'-P-C4' energy: -83.386 flat angles P-C4'-P energy: -52.878 tors. eta vs tors. theta energy: -98.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1066.919204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.919204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.919204 (E_RNA) where: Base-Base interactions energy: -712.414 where: short stacking energy: -310.190 Base-Backbone interact. energy: -2.644 local terms energy: -351.861213 where: bonds (distance) C4'-P energy: -61.700 bonds (distance) P-C4' energy: -86.380 flat angles C4'-P-C4' energy: -77.176 flat angles P-C4'-P energy: -44.165 tors. eta vs tors. theta energy: -82.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -992.320241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.320241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.320241 (E_RNA) where: Base-Base interactions energy: -675.625 where: short stacking energy: -297.752 Base-Backbone interact. energy: 2.176 local terms energy: -318.871403 where: bonds (distance) C4'-P energy: -60.041 bonds (distance) P-C4' energy: -52.009 flat angles C4'-P-C4' energy: -77.317 flat angles P-C4'-P energy: -53.670 tors. eta vs tors. theta energy: -75.835 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: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -790.147278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.147278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.147278 (E_RNA) where: Base-Base interactions energy: -495.960 where: short stacking energy: -233.355 Base-Backbone interact. energy: 0.516 local terms energy: -294.703230 where: bonds (distance) C4'-P energy: -66.255 bonds (distance) P-C4' energy: -61.739 flat angles C4'-P-C4' energy: -69.858 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -48.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -544.334131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.334131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.334131 (E_RNA) where: Base-Base interactions energy: -299.884 where: short stacking energy: -151.169 Base-Backbone interact. energy: 4.578 local terms energy: -249.028387 where: bonds (distance) C4'-P energy: -56.201 bonds (distance) P-C4' energy: -75.686 flat angles C4'-P-C4' energy: -59.842 flat angles P-C4'-P energy: -41.711 tors. eta vs tors. theta energy: -15.589 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: 251 Temperature: 0.900000 Total energy: -1549.456806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.456806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.456806 (E_RNA) where: Base-Base interactions energy: -1096.876 where: short stacking energy: -443.756 Base-Backbone interact. energy: -0.778 local terms energy: -451.802644 where: bonds (distance) C4'-P energy: -81.988 bonds (distance) P-C4' energy: -91.576 flat angles C4'-P-C4' energy: -98.837 flat angles P-C4'-P energy: -63.457 tors. eta vs tors. theta energy: -115.944 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: 251 Temperature: 0.950000 Total energy: -1475.565107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.565107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.565107 (E_RNA) where: Base-Base interactions energy: -1047.056 where: short stacking energy: -429.831 Base-Backbone interact. energy: -1.744 local terms energy: -426.765981 where: bonds (distance) C4'-P energy: -78.699 bonds (distance) P-C4' energy: -85.401 flat angles C4'-P-C4' energy: -91.355 flat angles P-C4'-P energy: -56.302 tors. eta vs tors. theta energy: -115.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1414.152498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.152498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.152498 (E_RNA) where: Base-Base interactions energy: -998.317 where: short stacking energy: -434.042 Base-Backbone interact. energy: 0.208 local terms energy: -416.043689 where: bonds (distance) C4'-P energy: -65.693 bonds (distance) P-C4' energy: -73.255 flat angles C4'-P-C4' energy: -102.310 flat angles P-C4'-P energy: -54.517 tors. eta vs tors. theta energy: -120.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1276.376340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.376340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.376340 (E_RNA) where: Base-Base interactions energy: -865.687 where: short stacking energy: -376.975 Base-Backbone interact. energy: -1.302 local terms energy: -409.386819 where: bonds (distance) C4'-P energy: -75.187 bonds (distance) P-C4' energy: -91.878 flat angles C4'-P-C4' energy: -78.570 flat angles P-C4'-P energy: -61.640 tors. eta vs tors. theta energy: -102.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1304.962946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.962946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.962946 (E_RNA) where: Base-Base interactions energy: -912.362 where: short stacking energy: -399.375 Base-Backbone interact. energy: 1.389 local terms energy: -393.990017 where: bonds (distance) C4'-P energy: -72.501 bonds (distance) P-C4' energy: -75.004 flat angles C4'-P-C4' energy: -87.556 flat angles P-C4'-P energy: -63.330 tors. eta vs tors. theta energy: -95.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1249.674918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.674918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.674918 (E_RNA) where: Base-Base interactions energy: -841.773 where: short stacking energy: -350.200 Base-Backbone interact. energy: -1.952 local terms energy: -405.950355 where: bonds (distance) C4'-P energy: -82.420 bonds (distance) P-C4' energy: -89.087 flat angles C4'-P-C4' energy: -91.659 flat angles P-C4'-P energy: -52.648 tors. eta vs tors. theta energy: -90.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1046.205607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.205607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.205607 (E_RNA) where: Base-Base interactions energy: -723.534 where: short stacking energy: -315.420 Base-Backbone interact. energy: 2.826 local terms energy: -325.497421 where: bonds (distance) C4'-P energy: -58.895 bonds (distance) P-C4' energy: -78.277 flat angles C4'-P-C4' energy: -84.245 flat angles P-C4'-P energy: -41.657 tors. eta vs tors. theta energy: -62.424 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: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1014.296679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.296679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.296679 (E_RNA) where: Base-Base interactions energy: -674.173 where: short stacking energy: -298.955 Base-Backbone interact. energy: 1.583 local terms energy: -341.707239 where: bonds (distance) C4'-P energy: -47.550 bonds (distance) P-C4' energy: -75.479 flat angles C4'-P-C4' energy: -84.101 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -77.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -787.687965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.687965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.687965 (E_RNA) where: Base-Base interactions energy: -492.391 where: short stacking energy: -258.437 Base-Backbone interact. energy: -1.794 local terms energy: -293.502602 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -73.265 flat angles C4'-P-C4' energy: -63.984 flat angles P-C4'-P energy: -40.348 tors. eta vs tors. theta energy: -58.729 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: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -567.635313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.635313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.635313 (E_RNA) where: Base-Base interactions energy: -312.520 where: short stacking energy: -154.552 Base-Backbone interact. energy: -1.510 local terms energy: -253.605338 where: bonds (distance) C4'-P energy: -57.320 bonds (distance) P-C4' energy: -70.930 flat angles C4'-P-C4' energy: -71.164 flat angles P-C4'-P energy: -31.425 tors. eta vs tors. theta energy: -22.766 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: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1532.035477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.035477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.035477 (E_RNA) where: Base-Base interactions energy: -1082.011 where: short stacking energy: -433.735 Base-Backbone interact. energy: 4.554 local terms energy: -454.578841 where: bonds (distance) C4'-P energy: -86.407 bonds (distance) P-C4' energy: -92.703 flat angles C4'-P-C4' energy: -98.747 flat angles P-C4'-P energy: -55.429 tors. eta vs tors. theta energy: -121.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1496.767940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.767940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.767940 (E_RNA) where: Base-Base interactions energy: -1051.360 where: short stacking energy: -416.476 Base-Backbone interact. energy: -3.708 local terms energy: -441.700238 where: bonds (distance) C4'-P energy: -77.652 bonds (distance) P-C4' energy: -94.984 flat angles C4'-P-C4' energy: -97.108 flat angles P-C4'-P energy: -52.451 tors. eta vs tors. theta energy: -119.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1412.897136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.897136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.897136 (E_RNA) where: Base-Base interactions energy: -985.708 where: short stacking energy: -422.704 Base-Backbone interact. energy: 1.702 local terms energy: -428.891069 where: bonds (distance) C4'-P energy: -77.944 bonds (distance) P-C4' energy: -74.600 flat angles C4'-P-C4' energy: -96.130 flat angles P-C4'-P energy: -65.342 tors. eta vs tors. theta energy: -114.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1312.710740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.710740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.710740 (E_RNA) where: Base-Base interactions energy: -920.143 where: short stacking energy: -390.594 Base-Backbone interact. energy: 1.385 local terms energy: -396.064692 where: bonds (distance) C4'-P energy: -69.815 bonds (distance) P-C4' energy: -81.569 flat angles C4'-P-C4' energy: -87.452 flat angles P-C4'-P energy: -55.528 tors. eta vs tors. theta energy: -101.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.112 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1312.707295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.707295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.707295 (E_RNA) where: Base-Base interactions energy: -903.017 where: short stacking energy: -377.624 Base-Backbone interact. energy: -1.432 local terms energy: -408.257463 where: bonds (distance) C4'-P energy: -89.894 bonds (distance) P-C4' energy: -74.701 flat angles C4'-P-C4' energy: -74.294 flat angles P-C4'-P energy: -62.042 tors. eta vs tors. theta energy: -107.327 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: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1219.098633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.098633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.098633 (E_RNA) where: Base-Base interactions energy: -838.806 where: short stacking energy: -347.376 Base-Backbone interact. energy: 1.318 local terms energy: -381.610841 where: bonds (distance) C4'-P energy: -78.233 bonds (distance) P-C4' energy: -76.780 flat angles C4'-P-C4' energy: -86.221 flat angles P-C4'-P energy: -53.808 tors. eta vs tors. theta energy: -86.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1108.337061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.337061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.337061 (E_RNA) where: Base-Base interactions energy: -765.144 where: short stacking energy: -340.314 Base-Backbone interact. energy: -1.413 local terms energy: -341.780054 where: bonds (distance) C4'-P energy: -54.212 bonds (distance) P-C4' energy: -66.818 flat angles C4'-P-C4' energy: -78.891 flat angles P-C4'-P energy: -54.270 tors. eta vs tors. theta energy: -87.589 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: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1009.204347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.204347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.204347 (E_RNA) where: Base-Base interactions energy: -676.430 where: short stacking energy: -296.660 Base-Backbone interact. energy: -0.176 local terms energy: -332.597862 where: bonds (distance) C4'-P energy: -77.641 bonds (distance) P-C4' energy: -71.708 flat angles C4'-P-C4' energy: -69.884 flat angles P-C4'-P energy: -46.621 tors. eta vs tors. theta energy: -66.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -816.243699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.243699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.243699 (E_RNA) where: Base-Base interactions energy: -507.992 where: short stacking energy: -235.726 Base-Backbone interact. energy: -0.250 local terms energy: -308.001553 where: bonds (distance) C4'-P energy: -74.079 bonds (distance) P-C4' energy: -75.414 flat angles C4'-P-C4' energy: -64.507 flat angles P-C4'-P energy: -46.984 tors. eta vs tors. theta energy: -47.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -560.657903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.657903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.657903 (E_RNA) where: Base-Base interactions energy: -328.100 where: short stacking energy: -159.860 Base-Backbone interact. energy: 2.710 local terms energy: -235.267583 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -66.146 flat angles C4'-P-C4' energy: -69.685 flat angles P-C4'-P energy: -27.584 tors. eta vs tors. theta energy: -12.237 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: 1, replica: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1559.196780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.196780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.196780 (E_RNA) where: Base-Base interactions energy: -1106.985 where: short stacking energy: -437.186 Base-Backbone interact. energy: 4.837 local terms energy: -457.048897 where: bonds (distance) C4'-P energy: -79.462 bonds (distance) P-C4' energy: -95.520 flat angles C4'-P-C4' energy: -96.266 flat angles P-C4'-P energy: -60.769 tors. eta vs tors. theta energy: -125.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1476.683284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.683284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.683284 (E_RNA) where: Base-Base interactions energy: -1041.648 where: short stacking energy: -432.871 Base-Backbone interact. energy: -2.311 local terms energy: -432.724474 where: bonds (distance) C4'-P energy: -81.840 bonds (distance) P-C4' energy: -88.488 flat angles C4'-P-C4' energy: -81.824 flat angles P-C4'-P energy: -67.986 tors. eta vs tors. theta energy: -112.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1399.924332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.924332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.924332 (E_RNA) where: Base-Base interactions energy: -959.317 where: short stacking energy: -427.303 Base-Backbone interact. energy: -0.914 local terms energy: -439.693621 where: bonds (distance) C4'-P energy: -74.431 bonds (distance) P-C4' energy: -88.482 flat angles C4'-P-C4' energy: -87.419 flat angles P-C4'-P energy: -64.031 tors. eta vs tors. theta energy: -125.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1356.764295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.764295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.764295 (E_RNA) where: Base-Base interactions energy: -941.508 where: short stacking energy: -401.064 Base-Backbone interact. energy: -0.294 local terms energy: -414.961760 where: bonds (distance) C4'-P energy: -82.537 bonds (distance) P-C4' energy: -78.822 flat angles C4'-P-C4' energy: -87.803 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -117.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1330.457817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.457817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.457817 (E_RNA) where: Base-Base interactions energy: -928.224 where: short stacking energy: -384.613 Base-Backbone interact. energy: -0.947 local terms energy: -401.286645 where: bonds (distance) C4'-P energy: -74.895 bonds (distance) P-C4' energy: -89.721 flat angles C4'-P-C4' energy: -92.561 flat angles P-C4'-P energy: -54.768 tors. eta vs tors. theta energy: -89.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1164.474203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.474203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.474203 (E_RNA) where: Base-Base interactions energy: -799.844 where: short stacking energy: -336.963 Base-Backbone interact. energy: -1.350 local terms energy: -364.703732 where: bonds (distance) C4'-P energy: -75.341 bonds (distance) P-C4' energy: -69.023 flat angles C4'-P-C4' energy: -81.740 flat angles P-C4'-P energy: -56.277 tors. eta vs tors. theta energy: -82.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.423 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1087.732026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.732026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.732026 (E_RNA) where: Base-Base interactions energy: -738.977 where: short stacking energy: -332.859 Base-Backbone interact. energy: -0.267 local terms energy: -348.488412 where: bonds (distance) C4'-P energy: -61.798 bonds (distance) P-C4' energy: -74.135 flat angles C4'-P-C4' energy: -84.194 flat angles P-C4'-P energy: -50.778 tors. eta vs tors. theta energy: -77.584 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: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -940.409370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.409370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.409370 (E_RNA) where: Base-Base interactions energy: -619.063 where: short stacking energy: -292.261 Base-Backbone interact. energy: -1.795 local terms energy: -319.550877 where: bonds (distance) C4'-P energy: -77.551 bonds (distance) P-C4' energy: -51.338 flat angles C4'-P-C4' energy: -77.803 flat angles P-C4'-P energy: -50.595 tors. eta vs tors. theta energy: -62.264 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: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -857.289408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.289408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.289408 (E_RNA) where: Base-Base interactions energy: -539.149 where: short stacking energy: -244.791 Base-Backbone interact. energy: -2.169 local terms energy: -315.970944 where: bonds (distance) C4'-P energy: -71.606 bonds (distance) P-C4' energy: -82.853 flat angles C4'-P-C4' energy: -65.139 flat angles P-C4'-P energy: -45.031 tors. eta vs tors. theta energy: -51.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -513.898111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.898111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.898111 (E_RNA) where: Base-Base interactions energy: -276.539 where: short stacking energy: -142.029 Base-Backbone interact. energy: 2.096 local terms energy: -239.455260 where: bonds (distance) C4'-P energy: -71.266 bonds (distance) P-C4' energy: -61.673 flat angles C4'-P-C4' energy: -55.024 flat angles P-C4'-P energy: -43.911 tors. eta vs tors. theta energy: -7.581 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: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1548.450074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.450074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.450074 (E_RNA) where: Base-Base interactions energy: -1092.729 where: short stacking energy: -425.608 Base-Backbone interact. energy: -0.476 local terms energy: -455.244907 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -83.319 flat angles C4'-P-C4' energy: -90.689 flat angles P-C4'-P energy: -69.528 tors. eta vs tors. theta energy: -122.736 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: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1482.079806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.079806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.079806 (E_RNA) where: Base-Base interactions energy: -1077.593 where: short stacking energy: -432.911 Base-Backbone interact. energy: -2.618 local terms energy: -401.868978 where: bonds (distance) C4'-P energy: -69.174 bonds (distance) P-C4' energy: -79.586 flat angles C4'-P-C4' energy: -83.012 flat angles P-C4'-P energy: -58.502 tors. eta vs tors. theta energy: -111.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1404.558818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.558818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.558818 (E_RNA) where: Base-Base interactions energy: -962.804 where: short stacking energy: -413.453 Base-Backbone interact. energy: -2.335 local terms energy: -439.420375 where: bonds (distance) C4'-P energy: -83.344 bonds (distance) P-C4' energy: -78.546 flat angles C4'-P-C4' energy: -91.601 flat angles P-C4'-P energy: -65.553 tors. eta vs tors. theta energy: -120.376 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: 4, replica: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1374.880958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.880958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.880958 (E_RNA) where: Base-Base interactions energy: -984.231 where: short stacking energy: -417.651 Base-Backbone interact. energy: 0.269 local terms energy: -390.918791 where: bonds (distance) C4'-P energy: -70.265 bonds (distance) P-C4' energy: -64.649 flat angles C4'-P-C4' energy: -85.791 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -108.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1266.413994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.413994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.413994 (E_RNA) where: Base-Base interactions energy: -886.460 where: short stacking energy: -367.712 Base-Backbone interact. energy: 1.158 local terms energy: -381.111720 where: bonds (distance) C4'-P energy: -74.708 bonds (distance) P-C4' energy: -84.821 flat angles C4'-P-C4' energy: -75.024 flat angles P-C4'-P energy: -57.937 tors. eta vs tors. theta energy: -88.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1191.032413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.032413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.032413 (E_RNA) where: Base-Base interactions energy: -819.536 where: short stacking energy: -336.593 Base-Backbone interact. energy: 0.377 local terms energy: -371.873545 where: bonds (distance) C4'-P energy: -71.079 bonds (distance) P-C4' energy: -75.959 flat angles C4'-P-C4' energy: -91.714 flat angles P-C4'-P energy: -48.005 tors. eta vs tors. theta energy: -85.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1066.317296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.317296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.317296 (E_RNA) where: Base-Base interactions energy: -738.816 where: short stacking energy: -332.364 Base-Backbone interact. energy: 1.390 local terms energy: -328.891940 where: bonds (distance) C4'-P energy: -68.685 bonds (distance) P-C4' energy: -60.334 flat angles C4'-P-C4' energy: -85.827 flat angles P-C4'-P energy: -41.220 tors. eta vs tors. theta energy: -72.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -936.015188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.015188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.015188 (E_RNA) where: Base-Base interactions energy: -611.799 where: short stacking energy: -274.050 Base-Backbone interact. energy: -1.692 local terms energy: -322.524369 where: bonds (distance) C4'-P energy: -70.206 bonds (distance) P-C4' energy: -76.869 flat angles C4'-P-C4' energy: -64.948 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: -57.507 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: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -838.711687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.711687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.711687 (E_RNA) where: Base-Base interactions energy: -521.819 where: short stacking energy: -254.779 Base-Backbone interact. energy: -1.306 local terms energy: -315.586997 where: bonds (distance) C4'-P energy: -86.935 bonds (distance) P-C4' energy: -70.489 flat angles C4'-P-C4' energy: -60.927 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -56.573 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: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -528.937816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.937816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.937816 (E_RNA) where: Base-Base interactions energy: -273.318 where: short stacking energy: -154.005 Base-Backbone interact. energy: 4.169 local terms energy: -259.788786 where: bonds (distance) C4'-P energy: -61.933 bonds (distance) P-C4' energy: -75.431 flat angles C4'-P-C4' energy: -77.188 flat angles P-C4'-P energy: -32.488 tors. eta vs tors. theta energy: -12.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1535.084888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.084888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.084888 (E_RNA) where: Base-Base interactions energy: -1087.503 where: short stacking energy: -428.170 Base-Backbone interact. energy: 0.874 local terms energy: -448.455533 where: bonds (distance) C4'-P energy: -78.747 bonds (distance) P-C4' energy: -95.169 flat angles C4'-P-C4' energy: -99.386 flat angles P-C4'-P energy: -53.773 tors. eta vs tors. theta energy: -121.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1445.624365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.624365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.624365 (E_RNA) where: Base-Base interactions energy: -1016.251 where: short stacking energy: -442.302 Base-Backbone interact. energy: -1.911 local terms energy: -427.461896 where: bonds (distance) C4'-P energy: -79.163 bonds (distance) P-C4' energy: -75.360 flat angles C4'-P-C4' energy: -90.889 flat angles P-C4'-P energy: -61.357 tors. eta vs tors. theta energy: -120.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1448.946863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.946863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.946863 (E_RNA) where: Base-Base interactions energy: -1019.876 where: short stacking energy: -421.234 Base-Backbone interact. energy: 0.734 local terms energy: -429.804583 where: bonds (distance) C4'-P energy: -73.780 bonds (distance) P-C4' energy: -88.028 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -60.613 tors. eta vs tors. theta energy: -111.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1349.933447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.933447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.933447 (E_RNA) where: Base-Base interactions energy: -958.489 where: short stacking energy: -402.938 Base-Backbone interact. energy: -4.103 local terms energy: -387.341483 where: bonds (distance) C4'-P energy: -64.146 bonds (distance) P-C4' energy: -78.434 flat angles C4'-P-C4' energy: -81.885 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: -97.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1272.498818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.498818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.498818 (E_RNA) where: Base-Base interactions energy: -893.473 where: short stacking energy: -371.520 Base-Backbone interact. energy: 1.495 local terms energy: -380.520968 where: bonds (distance) C4'-P energy: -78.021 bonds (distance) P-C4' energy: -68.822 flat angles C4'-P-C4' energy: -90.071 flat angles P-C4'-P energy: -59.919 tors. eta vs tors. theta energy: -83.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1167.606370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.606370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.606370 (E_RNA) where: Base-Base interactions energy: -797.917 where: short stacking energy: -350.096 Base-Backbone interact. energy: -0.431 local terms energy: -369.258579 where: bonds (distance) C4'-P energy: -82.489 bonds (distance) P-C4' energy: -73.722 flat angles C4'-P-C4' energy: -73.778 flat angles P-C4'-P energy: -50.066 tors. eta vs tors. theta energy: -89.203 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: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1096.959885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.959885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.959885 (E_RNA) where: Base-Base interactions energy: -771.162 where: short stacking energy: -307.874 Base-Backbone interact. energy: -0.623 local terms energy: -325.175153 where: bonds (distance) C4'-P energy: -50.714 bonds (distance) P-C4' energy: -72.463 flat angles C4'-P-C4' energy: -71.487 flat angles P-C4'-P energy: -45.474 tors. eta vs tors. theta energy: -85.038 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: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -923.794343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.794343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.794343 (E_RNA) where: Base-Base interactions energy: -620.480 where: short stacking energy: -272.868 Base-Backbone interact. energy: 0.318 local terms energy: -303.632027 where: bonds (distance) C4'-P energy: -63.289 bonds (distance) P-C4' energy: -72.500 flat angles C4'-P-C4' energy: -72.567 flat angles P-C4'-P energy: -40.854 tors. eta vs tors. theta energy: -54.422 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: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -839.892509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.892509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.892509 (E_RNA) where: Base-Base interactions energy: -569.589 where: short stacking energy: -263.147 Base-Backbone interact. energy: -0.813 local terms energy: -269.489789 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -61.737 flat angles C4'-P-C4' energy: -57.265 flat angles P-C4'-P energy: -30.477 tors. eta vs tors. theta energy: -54.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -555.278900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.278900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.278900 (E_RNA) where: Base-Base interactions energy: -297.113 where: short stacking energy: -164.916 Base-Backbone interact. energy: 0.075 local terms energy: -258.241246 where: bonds (distance) C4'-P energy: -68.767 bonds (distance) P-C4' energy: -74.834 flat angles C4'-P-C4' energy: -68.728 flat angles P-C4'-P energy: -28.214 tors. eta vs tors. theta energy: -17.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1562.990367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.990367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.990367 (E_RNA) where: Base-Base interactions energy: -1111.058 where: short stacking energy: -439.606 Base-Backbone interact. energy: 0.373 local terms energy: -452.305668 where: bonds (distance) C4'-P energy: -87.360 bonds (distance) P-C4' energy: -90.375 flat angles C4'-P-C4' energy: -86.993 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: -127.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1444.360505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.360505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.360505 (E_RNA) where: Base-Base interactions energy: -990.992 where: short stacking energy: -428.120 Base-Backbone interact. energy: -1.603 local terms energy: -451.765552 where: bonds (distance) C4'-P energy: -90.136 bonds (distance) P-C4' energy: -81.728 flat angles C4'-P-C4' energy: -100.285 flat angles P-C4'-P energy: -65.633 tors. eta vs tors. theta energy: -113.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1414.049692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.049692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.049692 (E_RNA) where: Base-Base interactions energy: -991.639 where: short stacking energy: -400.077 Base-Backbone interact. energy: -0.368 local terms energy: -422.042758 where: bonds (distance) C4'-P energy: -81.734 bonds (distance) P-C4' energy: -97.067 flat angles C4'-P-C4' energy: -86.916 flat angles P-C4'-P energy: -53.749 tors. eta vs tors. theta energy: -102.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1347.625956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.625956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.625956 (E_RNA) where: Base-Base interactions energy: -949.019 where: short stacking energy: -407.930 Base-Backbone interact. energy: -0.962 local terms energy: -397.644660 where: bonds (distance) C4'-P energy: -71.373 bonds (distance) P-C4' energy: -71.923 flat angles C4'-P-C4' energy: -87.124 flat angles P-C4'-P energy: -61.098 tors. eta vs tors. theta energy: -106.126 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: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1277.246797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.246797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.246797 (E_RNA) where: Base-Base interactions energy: -889.790 where: short stacking energy: -372.354 Base-Backbone interact. energy: -2.457 local terms energy: -384.999389 where: bonds (distance) C4'-P energy: -83.111 bonds (distance) P-C4' energy: -73.483 flat angles C4'-P-C4' energy: -77.388 flat angles P-C4'-P energy: -55.946 tors. eta vs tors. theta energy: -95.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1167.112483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.112483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.112483 (E_RNA) where: Base-Base interactions energy: -802.161 where: short stacking energy: -349.919 Base-Backbone interact. energy: -2.323 local terms energy: -362.628109 where: bonds (distance) C4'-P energy: -64.072 bonds (distance) P-C4' energy: -69.158 flat angles C4'-P-C4' energy: -84.800 flat angles P-C4'-P energy: -59.913 tors. eta vs tors. theta energy: -84.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1152.399837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.399837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.399837 (E_RNA) where: Base-Base interactions energy: -817.177 where: short stacking energy: -351.038 Base-Backbone interact. energy: -1.741 local terms energy: -333.481606 where: bonds (distance) C4'-P energy: -64.151 bonds (distance) P-C4' energy: -68.656 flat angles C4'-P-C4' energy: -68.431 flat angles P-C4'-P energy: -52.762 tors. eta vs tors. theta energy: -79.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -899.015678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.015678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.015678 (E_RNA) where: Base-Base interactions energy: -577.397 where: short stacking energy: -257.807 Base-Backbone interact. energy: -0.160 local terms energy: -321.459314 where: bonds (distance) C4'-P energy: -70.408 bonds (distance) P-C4' energy: -67.887 flat angles C4'-P-C4' energy: -81.778 flat angles P-C4'-P energy: -59.638 tors. eta vs tors. theta energy: -41.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -846.536628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.536628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.536628 (E_RNA) where: Base-Base interactions energy: -554.416 where: short stacking energy: -255.655 Base-Backbone interact. energy: 1.759 local terms energy: -293.880033 where: bonds (distance) C4'-P energy: -51.351 bonds (distance) P-C4' energy: -78.587 flat angles C4'-P-C4' energy: -66.343 flat angles P-C4'-P energy: -47.582 tors. eta vs tors. theta energy: -50.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -531.643428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.643428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.643428 (E_RNA) where: Base-Base interactions energy: -278.044 where: short stacking energy: -151.313 Base-Backbone interact. energy: -1.132 local terms energy: -252.466824 where: bonds (distance) C4'-P energy: -65.046 bonds (distance) P-C4' energy: -70.276 flat angles C4'-P-C4' energy: -70.119 flat angles P-C4'-P energy: -56.254 tors. eta vs tors. theta energy: 9.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1548.578141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.578141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.578141 (E_RNA) where: Base-Base interactions energy: -1084.913 where: short stacking energy: -461.293 Base-Backbone interact. energy: -2.257 local terms energy: -461.408712 where: bonds (distance) C4'-P energy: -87.881 bonds (distance) P-C4' energy: -90.176 flat angles C4'-P-C4' energy: -96.112 flat angles P-C4'-P energy: -58.303 tors. eta vs tors. theta energy: -128.938 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: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1465.392165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.392165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.392165 (E_RNA) where: Base-Base interactions energy: -1012.613 where: short stacking energy: -453.516 Base-Backbone interact. energy: -0.679 local terms energy: -452.099418 where: bonds (distance) C4'-P energy: -87.737 bonds (distance) P-C4' energy: -92.077 flat angles C4'-P-C4' energy: -91.365 flat angles P-C4'-P energy: -53.395 tors. eta vs tors. theta energy: -127.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1429.729737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.729737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.729737 (E_RNA) where: Base-Base interactions energy: -1006.984 where: short stacking energy: -411.169 Base-Backbone interact. energy: -2.476 local terms energy: -420.269850 where: bonds (distance) C4'-P energy: -76.183 bonds (distance) P-C4' energy: -76.392 flat angles C4'-P-C4' energy: -96.218 flat angles P-C4'-P energy: -46.188 tors. eta vs tors. theta energy: -125.289 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: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1326.708689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.708689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.708689 (E_RNA) where: Base-Base interactions energy: -913.563 where: short stacking energy: -385.187 Base-Backbone interact. energy: 3.243 local terms energy: -416.388383 where: bonds (distance) C4'-P energy: -81.633 bonds (distance) P-C4' energy: -86.834 flat angles C4'-P-C4' energy: -86.867 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: -111.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1282.720455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.720455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.720455 (E_RNA) where: Base-Base interactions energy: -903.863 where: short stacking energy: -383.675 Base-Backbone interact. energy: -3.016 local terms energy: -375.841532 where: bonds (distance) C4'-P energy: -65.329 bonds (distance) P-C4' energy: -69.683 flat angles C4'-P-C4' energy: -81.581 flat angles P-C4'-P energy: -62.455 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: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1176.519755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.519755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.519755 (E_RNA) where: Base-Base interactions energy: -803.100 where: short stacking energy: -331.928 Base-Backbone interact. energy: -0.477 local terms energy: -372.942473 where: bonds (distance) C4'-P energy: -72.730 bonds (distance) P-C4' energy: -72.337 flat angles C4'-P-C4' energy: -86.112 flat angles P-C4'-P energy: -55.938 tors. eta vs tors. theta energy: -85.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1172.637291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.637291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.637291 (E_RNA) where: Base-Base interactions energy: -817.627 where: short stacking energy: -328.272 Base-Backbone interact. energy: -0.531 local terms energy: -354.479368 where: bonds (distance) C4'-P energy: -69.005 bonds (distance) P-C4' energy: -69.533 flat angles C4'-P-C4' energy: -78.682 flat angles P-C4'-P energy: -55.000 tors. eta vs tors. theta energy: -82.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -940.185088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.185088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.185088 (E_RNA) where: Base-Base interactions energy: -623.328 where: short stacking energy: -260.580 Base-Backbone interact. energy: -0.900 local terms energy: -315.957589 where: bonds (distance) C4'-P energy: -63.476 bonds (distance) P-C4' energy: -83.103 flat angles C4'-P-C4' energy: -64.186 flat angles P-C4'-P energy: -55.320 tors. eta vs tors. theta energy: -49.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -884.147129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.147129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.147129 (E_RNA) where: Base-Base interactions energy: -573.407 where: short stacking energy: -288.990 Base-Backbone interact. energy: -0.285 local terms energy: -310.455259 where: bonds (distance) C4'-P energy: -65.757 bonds (distance) P-C4' energy: -71.833 flat angles C4'-P-C4' energy: -67.250 flat angles P-C4'-P energy: -44.804 tors. eta vs tors. theta energy: -60.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -539.810898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.810898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.810898 (E_RNA) where: Base-Base interactions energy: -282.077 where: short stacking energy: -157.562 Base-Backbone interact. energy: -1.089 local terms energy: -256.644156 where: bonds (distance) C4'-P energy: -61.668 bonds (distance) P-C4' energy: -70.893 flat angles C4'-P-C4' energy: -64.347 flat angles P-C4'-P energy: -46.017 tors. eta vs tors. theta energy: -13.720 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: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1552.903193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.903193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.903193 (E_RNA) where: Base-Base interactions energy: -1125.096 where: short stacking energy: -451.882 Base-Backbone interact. energy: -2.759 local terms energy: -425.048090 where: bonds (distance) C4'-P energy: -73.419 bonds (distance) P-C4' energy: -76.907 flat angles C4'-P-C4' energy: -93.758 flat angles P-C4'-P energy: -60.280 tors. eta vs tors. theta energy: -120.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1458.753700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.753700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.753700 (E_RNA) where: Base-Base interactions energy: -1023.385 where: short stacking energy: -466.956 Base-Backbone interact. energy: -2.781 local terms energy: -432.588062 where: bonds (distance) C4'-P energy: -79.630 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -99.475 flat angles P-C4'-P energy: -61.822 tors. eta vs tors. theta energy: -127.100 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: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1437.620563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.620563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.620563 (E_RNA) where: Base-Base interactions energy: -1014.780 where: short stacking energy: -408.064 Base-Backbone interact. energy: 3.882 local terms energy: -426.722708 where: bonds (distance) C4'-P energy: -75.079 bonds (distance) P-C4' energy: -83.524 flat angles C4'-P-C4' energy: -93.535 flat angles P-C4'-P energy: -62.875 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: 258 Temperature: 1.050000 Total energy: -1315.923605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.923605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.923605 (E_RNA) where: Base-Base interactions energy: -911.032 where: short stacking energy: -368.457 Base-Backbone interact. energy: 0.473 local terms energy: -405.364672 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -82.254 flat angles C4'-P-C4' energy: -87.206 flat angles P-C4'-P energy: -50.413 tors. eta vs tors. theta energy: -94.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1278.116189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.116189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.116189 (E_RNA) where: Base-Base interactions energy: -884.485 where: short stacking energy: -380.956 Base-Backbone interact. energy: -1.474 local terms energy: -392.156693 where: bonds (distance) C4'-P energy: -68.583 bonds (distance) P-C4' energy: -81.234 flat angles C4'-P-C4' energy: -82.209 flat angles P-C4'-P energy: -56.596 tors. eta vs tors. theta energy: -103.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1191.869412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.869412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.869412 (E_RNA) where: Base-Base interactions energy: -807.860 where: short stacking energy: -364.628 Base-Backbone interact. energy: 1.836 local terms energy: -385.844942 where: bonds (distance) C4'-P energy: -71.195 bonds (distance) P-C4' energy: -81.812 flat angles C4'-P-C4' energy: -82.749 flat angles P-C4'-P energy: -51.541 tors. eta vs tors. theta energy: -98.548 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: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1204.277729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.277729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.277729 (E_RNA) where: Base-Base interactions energy: -839.485 where: short stacking energy: -362.279 Base-Backbone interact. energy: -1.111 local terms energy: -363.681745 where: bonds (distance) C4'-P energy: -61.401 bonds (distance) P-C4' energy: -68.480 flat angles C4'-P-C4' energy: -84.028 flat angles P-C4'-P energy: -52.500 tors. eta vs tors. theta energy: -97.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -957.051606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.051606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.051606 (E_RNA) where: Base-Base interactions energy: -625.605 where: short stacking energy: -251.492 Base-Backbone interact. energy: 0.053 local terms energy: -331.498939 where: bonds (distance) C4'-P energy: -71.684 bonds (distance) P-C4' energy: -86.628 flat angles C4'-P-C4' energy: -66.586 flat angles P-C4'-P energy: -53.604 tors. eta vs tors. theta energy: -52.997 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: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -893.496607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.496607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.496607 (E_RNA) where: Base-Base interactions energy: -568.929 where: short stacking energy: -281.712 Base-Backbone interact. energy: -0.203 local terms energy: -324.364798 where: bonds (distance) C4'-P energy: -75.144 bonds (distance) P-C4' energy: -77.093 flat angles C4'-P-C4' energy: -82.572 flat angles P-C4'-P energy: -34.001 tors. eta vs tors. theta energy: -55.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -511.479186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.479186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.479186 (E_RNA) where: Base-Base interactions energy: -267.491 where: short stacking energy: -146.475 Base-Backbone interact. energy: 2.725 local terms energy: -246.712874 where: bonds (distance) C4'-P energy: -69.951 bonds (distance) P-C4' energy: -73.431 flat angles C4'-P-C4' energy: -61.203 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -1.423 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: 259 Temperature: 0.900000 Total energy: -1559.923428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.923428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.923428 (E_RNA) where: Base-Base interactions energy: -1096.814 where: short stacking energy: -442.405 Base-Backbone interact. energy: -2.917 local terms energy: -460.193058 where: bonds (distance) C4'-P energy: -90.459 bonds (distance) P-C4' energy: -78.154 flat angles C4'-P-C4' energy: -96.275 flat angles P-C4'-P energy: -66.266 tors. eta vs tors. theta energy: -129.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1473.388814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.388814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.388814 (E_RNA) where: Base-Base interactions energy: -1045.422 where: short stacking energy: -457.342 Base-Backbone interact. energy: 3.175 local terms energy: -431.141770 where: bonds (distance) C4'-P energy: -75.910 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -95.723 flat angles P-C4'-P energy: -57.209 tors. eta vs tors. theta energy: -123.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1420.289589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.289589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.289589 (E_RNA) where: Base-Base interactions energy: -1005.118 where: short stacking energy: -423.446 Base-Backbone interact. energy: -1.234 local terms energy: -413.937220 where: bonds (distance) C4'-P energy: -69.956 bonds (distance) P-C4' energy: -76.341 flat angles C4'-P-C4' energy: -93.326 flat angles P-C4'-P energy: -54.588 tors. eta vs tors. theta energy: -119.726 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: 259 Temperature: 1.050000 Total energy: -1327.860119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.860119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.860119 (E_RNA) where: Base-Base interactions energy: -921.728 where: short stacking energy: -395.036 Base-Backbone interact. energy: -2.716 local terms energy: -403.416744 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -80.780 flat angles C4'-P-C4' energy: -93.173 flat angles P-C4'-P energy: -60.114 tors. eta vs tors. theta energy: -112.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1271.651789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.651789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.651789 (E_RNA) where: Base-Base interactions energy: -865.341 where: short stacking energy: -374.050 Base-Backbone interact. energy: 3.993 local terms energy: -410.303202 where: bonds (distance) C4'-P energy: -68.669 bonds (distance) P-C4' energy: -90.377 flat angles C4'-P-C4' energy: -90.781 flat angles P-C4'-P energy: -56.641 tors. eta vs tors. theta energy: -103.836 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: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1161.647220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.647220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.647220 (E_RNA) where: Base-Base interactions energy: -791.686 where: short stacking energy: -347.316 Base-Backbone interact. energy: 0.961 local terms energy: -370.922408 where: bonds (distance) C4'-P energy: -64.012 bonds (distance) P-C4' energy: -82.738 flat angles C4'-P-C4' energy: -84.767 flat angles P-C4'-P energy: -47.372 tors. eta vs tors. theta energy: -92.034 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: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1195.907414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.907414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.907414 (E_RNA) where: Base-Base interactions energy: -823.434 where: short stacking energy: -339.722 Base-Backbone interact. energy: -0.594 local terms energy: -371.878827 where: bonds (distance) C4'-P energy: -69.686 bonds (distance) P-C4' energy: -55.564 flat angles C4'-P-C4' energy: -91.414 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -96.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -906.812900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.812900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.812900 (E_RNA) where: Base-Base interactions energy: -575.968 where: short stacking energy: -285.343 Base-Backbone interact. energy: -0.973 local terms energy: -329.872398 where: bonds (distance) C4'-P energy: -65.503 bonds (distance) P-C4' energy: -89.321 flat angles C4'-P-C4' energy: -71.028 flat angles P-C4'-P energy: -43.233 tors. eta vs tors. theta energy: -60.788 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: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -895.236564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.236564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.236564 (E_RNA) where: Base-Base interactions energy: -571.156 where: short stacking energy: -250.843 Base-Backbone interact. energy: -2.249 local terms energy: -321.831072 where: bonds (distance) C4'-P energy: -75.710 bonds (distance) P-C4' energy: -82.277 flat angles C4'-P-C4' energy: -76.922 flat angles P-C4'-P energy: -44.853 tors. eta vs tors. theta energy: -42.069 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: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -534.304238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.304238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.304238 (E_RNA) where: Base-Base interactions energy: -281.246 where: short stacking energy: -159.380 Base-Backbone interact. energy: -2.134 local terms energy: -250.924908 where: bonds (distance) C4'-P energy: -80.966 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -61.234 flat angles P-C4'-P energy: -28.976 tors. eta vs tors. theta energy: -16.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1563.196221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.196221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.196221 (E_RNA) where: Base-Base interactions energy: -1116.047 where: short stacking energy: -426.255 Base-Backbone interact. energy: -2.886 local terms energy: -444.262948 where: bonds (distance) C4'-P energy: -83.110 bonds (distance) P-C4' energy: -80.036 flat angles C4'-P-C4' energy: -103.764 flat angles P-C4'-P energy: -50.369 tors. eta vs tors. theta energy: -126.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1461.483030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.483030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.483030 (E_RNA) where: Base-Base interactions energy: -1013.405 where: short stacking energy: -443.860 Base-Backbone interact. energy: 0.020 local terms energy: -448.097599 where: bonds (distance) C4'-P energy: -90.770 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -96.147 flat angles P-C4'-P energy: -53.175 tors. eta vs tors. theta energy: -121.684 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: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1454.399473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.399473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.399473 (E_RNA) where: Base-Base interactions energy: -1030.149 where: short stacking energy: -410.243 Base-Backbone interact. energy: 3.350 local terms energy: -427.600519 where: bonds (distance) C4'-P energy: -70.548 bonds (distance) P-C4' energy: -83.423 flat angles C4'-P-C4' energy: -97.643 flat angles P-C4'-P energy: -58.580 tors. eta vs tors. theta energy: -117.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1336.501614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.501614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.501614 (E_RNA) where: Base-Base interactions energy: -916.448 where: short stacking energy: -379.876 Base-Backbone interact. energy: -0.286 local terms energy: -419.767031 where: bonds (distance) C4'-P energy: -80.073 bonds (distance) P-C4' energy: -85.187 flat angles C4'-P-C4' energy: -93.380 flat angles P-C4'-P energy: -53.240 tors. eta vs tors. theta energy: -107.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1307.482565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.482565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.482565 (E_RNA) where: Base-Base interactions energy: -896.450 where: short stacking energy: -389.809 Base-Backbone interact. energy: -2.216 local terms energy: -408.816479 where: bonds (distance) C4'-P energy: -78.961 bonds (distance) P-C4' energy: -78.475 flat angles C4'-P-C4' energy: -90.336 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -113.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1148.077674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.077674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.077674 (E_RNA) where: Base-Base interactions energy: -788.999 where: short stacking energy: -314.699 Base-Backbone interact. energy: -0.974 local terms energy: -358.104895 where: bonds (distance) C4'-P energy: -66.526 bonds (distance) P-C4' energy: -68.614 flat angles C4'-P-C4' energy: -84.877 flat angles P-C4'-P energy: -51.383 tors. eta vs tors. theta energy: -86.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1188.766326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.766326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.766326 (E_RNA) where: Base-Base interactions energy: -826.468 where: short stacking energy: -355.647 Base-Backbone interact. energy: -0.959 local terms energy: -361.339505 where: bonds (distance) C4'-P energy: -59.700 bonds (distance) P-C4' energy: -78.736 flat angles C4'-P-C4' energy: -90.497 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: -83.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -942.040915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.040915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.040915 (E_RNA) where: Base-Base interactions energy: -648.999 where: short stacking energy: -295.479 Base-Backbone interact. energy: 0.408 local terms energy: -293.450379 where: bonds (distance) C4'-P energy: -63.540 bonds (distance) P-C4' energy: -66.117 flat angles C4'-P-C4' energy: -71.692 flat angles P-C4'-P energy: -37.063 tors. eta vs tors. theta energy: -55.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -854.621628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.621628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.621628 (E_RNA) where: Base-Base interactions energy: -556.273 where: short stacking energy: -262.160 Base-Backbone interact. energy: 2.847 local terms energy: -301.195468 where: bonds (distance) C4'-P energy: -57.988 bonds (distance) P-C4' energy: -73.241 flat angles C4'-P-C4' energy: -75.675 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -48.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -559.206135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.206135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.206135 (E_RNA) where: Base-Base interactions energy: -314.828 where: short stacking energy: -151.278 Base-Backbone interact. energy: -2.281 local terms energy: -242.097079 where: bonds (distance) C4'-P energy: -78.382 bonds (distance) P-C4' energy: -87.452 flat angles C4'-P-C4' energy: -48.383 flat angles P-C4'-P energy: -24.390 tors. eta vs tors. theta energy: -3.490 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: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1541.112692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.112692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.112692 (E_RNA) where: Base-Base interactions energy: -1085.027 where: short stacking energy: -425.892 Base-Backbone interact. energy: -0.733 local terms energy: -455.352513 where: bonds (distance) C4'-P energy: -82.655 bonds (distance) P-C4' energy: -80.002 flat angles C4'-P-C4' energy: -91.645 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -128.768 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: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1471.979334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.979334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.979334 (E_RNA) where: Base-Base interactions energy: -1024.941 where: short stacking energy: -433.354 Base-Backbone interact. energy: 1.363 local terms energy: -448.400812 where: bonds (distance) C4'-P energy: -82.375 bonds (distance) P-C4' energy: -88.953 flat angles C4'-P-C4' energy: -94.774 flat angles P-C4'-P energy: -62.085 tors. eta vs tors. theta energy: -120.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1419.613470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.613470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.613470 (E_RNA) where: Base-Base interactions energy: -988.772 where: short stacking energy: -423.602 Base-Backbone interact. energy: -2.709 local terms energy: -428.132663 where: bonds (distance) C4'-P energy: -86.716 bonds (distance) P-C4' energy: -84.167 flat angles C4'-P-C4' energy: -76.247 flat angles P-C4'-P energy: -55.770 tors. eta vs tors. theta energy: -125.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1349.810391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.810391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.810391 (E_RNA) where: Base-Base interactions energy: -923.531 where: short stacking energy: -393.675 Base-Backbone interact. energy: -2.465 local terms energy: -423.814472 where: bonds (distance) C4'-P energy: -80.007 bonds (distance) P-C4' energy: -79.310 flat angles C4'-P-C4' energy: -88.584 flat angles P-C4'-P energy: -65.943 tors. eta vs tors. theta energy: -109.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1306.829822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.829822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.829822 (E_RNA) where: Base-Base interactions energy: -908.098 where: short stacking energy: -384.272 Base-Backbone interact. energy: 0.676 local terms energy: -399.407646 where: bonds (distance) C4'-P energy: -64.284 bonds (distance) P-C4' energy: -89.740 flat angles C4'-P-C4' energy: -80.166 flat angles P-C4'-P energy: -58.068 tors. eta vs tors. theta energy: -107.150 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: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1205.584479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.584479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.584479 (E_RNA) where: Base-Base interactions energy: -836.606 where: short stacking energy: -351.272 Base-Backbone interact. energy: -2.758 local terms energy: -366.220576 where: bonds (distance) C4'-P energy: -72.978 bonds (distance) P-C4' energy: -79.382 flat angles C4'-P-C4' energy: -81.569 flat angles P-C4'-P energy: -46.682 tors. eta vs tors. theta energy: -85.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1149.343997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.343997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.343997 (E_RNA) where: Base-Base interactions energy: -782.214 where: short stacking energy: -343.018 Base-Backbone interact. energy: 1.122 local terms energy: -368.251389 where: bonds (distance) C4'-P energy: -78.320 bonds (distance) P-C4' energy: -70.917 flat angles C4'-P-C4' energy: -80.367 flat angles P-C4'-P energy: -54.219 tors. eta vs tors. theta energy: -84.428 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: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -946.671949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.671949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.671949 (E_RNA) where: Base-Base interactions energy: -645.657 where: short stacking energy: -285.685 Base-Backbone interact. energy: 1.343 local terms energy: -302.358034 where: bonds (distance) C4'-P energy: -66.370 bonds (distance) P-C4' energy: -76.291 flat angles C4'-P-C4' energy: -54.806 flat angles P-C4'-P energy: -42.842 tors. eta vs tors. theta energy: -62.049 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: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -838.472113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.472113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.472113 (E_RNA) where: Base-Base interactions energy: -536.866 where: short stacking energy: -237.344 Base-Backbone interact. energy: -1.475 local terms energy: -300.130997 where: bonds (distance) C4'-P energy: -61.844 bonds (distance) P-C4' energy: -67.547 flat angles C4'-P-C4' energy: -71.522 flat angles P-C4'-P energy: -53.969 tors. eta vs tors. theta energy: -45.249 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: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -627.099334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.099334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.099334 (E_RNA) where: Base-Base interactions energy: -350.182 where: short stacking energy: -163.817 Base-Backbone interact. energy: -2.287 local terms energy: -274.630066 where: bonds (distance) C4'-P energy: -71.987 bonds (distance) P-C4' energy: -80.511 flat angles C4'-P-C4' energy: -75.216 flat angles P-C4'-P energy: -33.315 tors. eta vs tors. theta energy: -13.602 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: 1, replica: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1549.185590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.185590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.185590 (E_RNA) where: Base-Base interactions energy: -1092.493 where: short stacking energy: -443.768 Base-Backbone interact. energy: 0.820 local terms energy: -457.511701 where: bonds (distance) C4'-P energy: -76.882 bonds (distance) P-C4' energy: -89.028 flat angles C4'-P-C4' energy: -103.363 flat angles P-C4'-P energy: -63.952 tors. eta vs tors. theta energy: -124.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1477.176535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.176535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.176535 (E_RNA) where: Base-Base interactions energy: -1041.029 where: short stacking energy: -424.697 Base-Backbone interact. energy: -0.032 local terms energy: -436.115363 where: bonds (distance) C4'-P energy: -83.721 bonds (distance) P-C4' energy: -87.760 flat angles C4'-P-C4' energy: -90.584 flat angles P-C4'-P energy: -52.123 tors. eta vs tors. theta energy: -121.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1438.165721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.165721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.165721 (E_RNA) where: Base-Base interactions energy: -989.338 where: short stacking energy: -436.441 Base-Backbone interact. energy: -3.587 local terms energy: -445.241361 where: bonds (distance) C4'-P energy: -77.994 bonds (distance) P-C4' energy: -92.414 flat angles C4'-P-C4' energy: -87.331 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -123.207 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: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1355.759211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.759211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.759211 (E_RNA) where: Base-Base interactions energy: -940.381 where: short stacking energy: -397.863 Base-Backbone interact. energy: -2.906 local terms energy: -412.471837 where: bonds (distance) C4'-P energy: -89.323 bonds (distance) P-C4' energy: -73.683 flat angles C4'-P-C4' energy: -92.594 flat angles P-C4'-P energy: -53.824 tors. eta vs tors. theta energy: -103.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1294.394048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.394048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.394048 (E_RNA) where: Base-Base interactions energy: -908.410 where: short stacking energy: -381.502 Base-Backbone interact. energy: -0.462 local terms energy: -385.521841 where: bonds (distance) C4'-P energy: -64.650 bonds (distance) P-C4' energy: -71.691 flat angles C4'-P-C4' energy: -84.872 flat angles P-C4'-P energy: -52.870 tors. eta vs tors. theta energy: -111.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1241.709300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.709300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.709300 (E_RNA) where: Base-Base interactions energy: -850.588 where: short stacking energy: -380.354 Base-Backbone interact. energy: 9.823 local terms energy: -400.944574 where: bonds (distance) C4'-P energy: -79.747 bonds (distance) P-C4' energy: -86.505 flat angles C4'-P-C4' energy: -73.665 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -101.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1152.512142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.512142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.512142 (E_RNA) where: Base-Base interactions energy: -812.875 where: short stacking energy: -352.238 Base-Backbone interact. energy: -1.768 local terms energy: -337.868583 where: bonds (distance) C4'-P energy: -63.579 bonds (distance) P-C4' energy: -74.531 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -33.118 tors. eta vs tors. theta energy: -88.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -997.448765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.448765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.448765 (E_RNA) where: Base-Base interactions energy: -651.481 where: short stacking energy: -284.529 Base-Backbone interact. energy: -1.423 local terms energy: -344.545362 where: bonds (distance) C4'-P energy: -67.082 bonds (distance) P-C4' energy: -84.104 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -53.270 tors. eta vs tors. theta energy: -66.837 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: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -935.641160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.641160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.641160 (E_RNA) where: Base-Base interactions energy: -619.620 where: short stacking energy: -270.717 Base-Backbone interact. energy: 1.292 local terms energy: -317.313378 where: bonds (distance) C4'-P energy: -75.552 bonds (distance) P-C4' energy: -77.852 flat angles C4'-P-C4' energy: -70.032 flat angles P-C4'-P energy: -31.579 tors. eta vs tors. theta energy: -62.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -589.581790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.581790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.581790 (E_RNA) where: Base-Base interactions energy: -341.604 where: short stacking energy: -173.245 Base-Backbone interact. energy: -2.059 local terms energy: -245.918531 where: bonds (distance) C4'-P energy: -56.990 bonds (distance) P-C4' energy: -65.642 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -32.720 tors. eta vs tors. theta energy: -18.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1546.427119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.427119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.427119 (E_RNA) where: Base-Base interactions energy: -1085.824 where: short stacking energy: -437.839 Base-Backbone interact. energy: -0.338 local terms energy: -460.264554 where: bonds (distance) C4'-P energy: -85.425 bonds (distance) P-C4' energy: -90.309 flat angles C4'-P-C4' energy: -98.857 flat angles P-C4'-P energy: -59.155 tors. eta vs tors. theta energy: -126.519 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: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1484.799426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.799426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.799426 (E_RNA) where: Base-Base interactions energy: -1064.843 where: short stacking energy: -423.218 Base-Backbone interact. energy: -0.804 local terms energy: -419.152480 where: bonds (distance) C4'-P energy: -74.914 bonds (distance) P-C4' energy: -79.362 flat angles C4'-P-C4' energy: -95.793 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -120.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1415.570009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.570009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.570009 (E_RNA) where: Base-Base interactions energy: -996.993 where: short stacking energy: -429.720 Base-Backbone interact. energy: -2.357 local terms energy: -416.219136 where: bonds (distance) C4'-P energy: -73.040 bonds (distance) P-C4' energy: -84.502 flat angles C4'-P-C4' energy: -91.056 flat angles P-C4'-P energy: -51.458 tors. eta vs tors. theta energy: -116.163 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: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1375.036685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.036685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.036685 (E_RNA) where: Base-Base interactions energy: -969.727 where: short stacking energy: -410.286 Base-Backbone interact. energy: -1.032 local terms energy: -404.278652 where: bonds (distance) C4'-P energy: -72.907 bonds (distance) P-C4' energy: -71.188 flat angles C4'-P-C4' energy: -90.909 flat angles P-C4'-P energy: -60.625 tors. eta vs tors. theta energy: -108.649 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: 3 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1286.579562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.579562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.579562 (E_RNA) where: Base-Base interactions energy: -891.868 where: short stacking energy: -360.473 Base-Backbone interact. energy: -0.268 local terms energy: -394.443935 where: bonds (distance) C4'-P energy: -71.778 bonds (distance) P-C4' energy: -87.152 flat angles C4'-P-C4' energy: -88.014 flat angles P-C4'-P energy: -55.761 tors. eta vs tors. theta energy: -91.739 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: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1267.260547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.260547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.260547 (E_RNA) where: Base-Base interactions energy: -871.614 where: short stacking energy: -370.207 Base-Backbone interact. energy: -2.146 local terms energy: -393.501228 where: bonds (distance) C4'-P energy: -63.854 bonds (distance) P-C4' energy: -80.270 flat angles C4'-P-C4' energy: -83.400 flat angles P-C4'-P energy: -55.082 tors. eta vs tors. theta energy: -110.895 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: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1136.168714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.168714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.168714 (E_RNA) where: Base-Base interactions energy: -789.162 where: short stacking energy: -375.342 Base-Backbone interact. energy: -1.782 local terms energy: -345.224571 where: bonds (distance) C4'-P energy: -60.584 bonds (distance) P-C4' energy: -75.982 flat angles C4'-P-C4' energy: -71.759 flat angles P-C4'-P energy: -42.196 tors. eta vs tors. theta energy: -94.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -985.481640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.481640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.481640 (E_RNA) where: Base-Base interactions energy: -646.582 where: short stacking energy: -261.126 Base-Backbone interact. energy: -3.462 local terms energy: -335.438330 where: bonds (distance) C4'-P energy: -75.724 bonds (distance) P-C4' energy: -83.774 flat angles C4'-P-C4' energy: -70.947 flat angles P-C4'-P energy: -48.521 tors. eta vs tors. theta energy: -56.473 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: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -888.136827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.136827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.136827 (E_RNA) where: Base-Base interactions energy: -566.083 where: short stacking energy: -258.062 Base-Backbone interact. energy: -0.450 local terms energy: -321.603057 where: bonds (distance) C4'-P energy: -68.865 bonds (distance) P-C4' energy: -64.796 flat angles C4'-P-C4' energy: -79.198 flat angles P-C4'-P energy: -52.524 tors. eta vs tors. theta energy: -56.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -567.596691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.596691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.596691 (E_RNA) where: Base-Base interactions energy: -312.430 where: short stacking energy: -172.006 Base-Backbone interact. energy: -2.403 local terms energy: -252.764451 where: bonds (distance) C4'-P energy: -60.150 bonds (distance) P-C4' energy: -69.786 flat angles C4'-P-C4' energy: -67.276 flat angles P-C4'-P energy: -31.819 tors. eta vs tors. theta energy: -23.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1547.803465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.803465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.803465 (E_RNA) where: Base-Base interactions energy: -1085.089 where: short stacking energy: -417.525 Base-Backbone interact. energy: 1.279 local terms energy: -463.993175 where: bonds (distance) C4'-P energy: -79.992 bonds (distance) P-C4' energy: -86.915 flat angles C4'-P-C4' energy: -101.287 flat angles P-C4'-P energy: -69.217 tors. eta vs tors. theta energy: -126.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1460.909298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.909298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.909298 (E_RNA) where: Base-Base interactions energy: -1022.452 where: short stacking energy: -420.633 Base-Backbone interact. energy: -2.610 local terms energy: -435.847907 where: bonds (distance) C4'-P energy: -80.579 bonds (distance) P-C4' energy: -89.935 flat angles C4'-P-C4' energy: -85.730 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -116.896 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: 4 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1405.117629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.117629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.117629 (E_RNA) where: Base-Base interactions energy: -977.940 where: short stacking energy: -410.509 Base-Backbone interact. energy: -1.908 local terms energy: -425.269283 where: bonds (distance) C4'-P energy: -74.693 bonds (distance) P-C4' energy: -80.995 flat angles C4'-P-C4' energy: -95.358 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -114.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1380.728191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.728191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.728191 (E_RNA) where: Base-Base interactions energy: -945.706 where: short stacking energy: -428.375 Base-Backbone interact. energy: 0.921 local terms energy: -435.943593 where: bonds (distance) C4'-P energy: -84.253 bonds (distance) P-C4' energy: -91.675 flat angles C4'-P-C4' energy: -94.985 flat angles P-C4'-P energy: -53.935 tors. eta vs tors. theta energy: -111.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1314.125436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.125436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.125436 (E_RNA) where: Base-Base interactions energy: -908.404 where: short stacking energy: -376.912 Base-Backbone interact. energy: -0.822 local terms energy: -404.899321 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -80.116 flat angles C4'-P-C4' energy: -95.621 flat angles P-C4'-P energy: -61.146 tors. eta vs tors. theta energy: -103.154 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: 264 Temperature: 1.150000 Total energy: -1258.076744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.076744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.076744 (E_RNA) where: Base-Base interactions energy: -871.845 where: short stacking energy: -389.306 Base-Backbone interact. energy: -0.745 local terms energy: -385.485984 where: bonds (distance) C4'-P energy: -66.210 bonds (distance) P-C4' energy: -79.300 flat angles C4'-P-C4' energy: -90.019 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -95.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1126.480794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.480794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.480794 (E_RNA) where: Base-Base interactions energy: -761.373 where: short stacking energy: -329.718 Base-Backbone interact. energy: -2.369 local terms energy: -362.738422 where: bonds (distance) C4'-P energy: -77.443 bonds (distance) P-C4' energy: -63.594 flat angles C4'-P-C4' energy: -83.045 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: -86.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -941.701552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.701552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.701552 (E_RNA) where: Base-Base interactions energy: -634.279 where: short stacking energy: -294.539 Base-Backbone interact. energy: -0.860 local terms energy: -306.562067 where: bonds (distance) C4'-P energy: -59.623 bonds (distance) P-C4' energy: -71.974 flat angles C4'-P-C4' energy: -72.634 flat angles P-C4'-P energy: -40.003 tors. eta vs tors. theta energy: -62.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -878.197543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.197543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.197543 (E_RNA) where: Base-Base interactions energy: -589.064 where: short stacking energy: -271.224 Base-Backbone interact. energy: -2.412 local terms energy: -286.722055 where: bonds (distance) C4'-P energy: -76.990 bonds (distance) P-C4' energy: -58.866 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -35.610 tors. eta vs tors. theta energy: -43.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -523.524010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.524010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.524010 (E_RNA) where: Base-Base interactions energy: -277.642 where: short stacking energy: -157.351 Base-Backbone interact. energy: -0.496 local terms energy: -245.385854 where: bonds (distance) C4'-P energy: -65.815 bonds (distance) P-C4' energy: -68.611 flat angles C4'-P-C4' energy: -70.145 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1545.770044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.770044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.770044 (E_RNA) where: Base-Base interactions energy: -1082.975 where: short stacking energy: -443.541 Base-Backbone interact. energy: -1.578 local terms energy: -461.216927 where: bonds (distance) C4'-P energy: -80.513 bonds (distance) P-C4' energy: -98.696 flat angles C4'-P-C4' energy: -96.810 flat angles P-C4'-P energy: -63.211 tors. eta vs tors. theta energy: -121.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1419.750511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.750511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.750511 (E_RNA) where: Base-Base interactions energy: -1002.589 where: short stacking energy: -430.099 Base-Backbone interact. energy: -1.763 local terms energy: -415.398272 where: bonds (distance) C4'-P energy: -77.505 bonds (distance) P-C4' energy: -86.303 flat angles C4'-P-C4' energy: -95.653 flat angles P-C4'-P energy: -49.999 tors. eta vs tors. theta energy: -105.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1350.637348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.637348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.637348 (E_RNA) where: Base-Base interactions energy: -930.717 where: short stacking energy: -397.432 Base-Backbone interact. energy: -1.396 local terms energy: -418.524291 where: bonds (distance) C4'-P energy: -77.634 bonds (distance) P-C4' energy: -84.395 flat angles C4'-P-C4' energy: -91.739 flat angles P-C4'-P energy: -58.342 tors. eta vs tors. theta energy: -106.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1372.111485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.111485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.111485 (E_RNA) where: Base-Base interactions energy: -960.258 where: short stacking energy: -401.814 Base-Backbone interact. energy: 4.703 local terms energy: -416.556682 where: bonds (distance) C4'-P energy: -78.341 bonds (distance) P-C4' energy: -77.260 flat angles C4'-P-C4' energy: -86.576 flat angles P-C4'-P energy: -57.653 tors. eta vs tors. theta energy: -116.727 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: 3 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1311.646902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.646902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.646902 (E_RNA) where: Base-Base interactions energy: -912.241 where: short stacking energy: -378.204 Base-Backbone interact. energy: 0.204 local terms energy: -399.609619 where: bonds (distance) C4'-P energy: -61.404 bonds (distance) P-C4' energy: -79.353 flat angles C4'-P-C4' energy: -90.440 flat angles P-C4'-P energy: -63.202 tors. eta vs tors. theta energy: -105.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1246.122257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.122257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.122257 (E_RNA) where: Base-Base interactions energy: -883.084 where: short stacking energy: -373.360 Base-Backbone interact. energy: -1.343 local terms energy: -361.695115 where: bonds (distance) C4'-P energy: -50.665 bonds (distance) P-C4' energy: -78.597 flat angles C4'-P-C4' energy: -86.187 flat angles P-C4'-P energy: -54.955 tors. eta vs tors. theta energy: -91.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1104.982102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.982102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.982102 (E_RNA) where: Base-Base interactions energy: -749.522 where: short stacking energy: -324.258 Base-Backbone interact. energy: 0.266 local terms energy: -355.727009 where: bonds (distance) C4'-P energy: -75.945 bonds (distance) P-C4' energy: -70.812 flat angles C4'-P-C4' energy: -84.304 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -79.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1035.195971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.195971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.195971 (E_RNA) where: Base-Base interactions energy: -716.474 where: short stacking energy: -309.441 Base-Backbone interact. energy: -1.695 local terms energy: -317.026994 where: bonds (distance) C4'-P energy: -56.189 bonds (distance) P-C4' energy: -71.803 flat angles C4'-P-C4' energy: -83.486 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -67.733 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: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -853.243974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.243974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.243974 (E_RNA) where: Base-Base interactions energy: -538.084 where: short stacking energy: -251.829 Base-Backbone interact. energy: 1.428 local terms energy: -316.587730 where: bonds (distance) C4'-P energy: -72.431 bonds (distance) P-C4' energy: -63.443 flat angles C4'-P-C4' energy: -70.198 flat angles P-C4'-P energy: -53.647 tors. eta vs tors. theta energy: -56.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -516.839870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.839870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.839870 (E_RNA) where: Base-Base interactions energy: -289.141 where: short stacking energy: -175.342 Base-Backbone interact. energy: -2.905 local terms energy: -224.794050 where: bonds (distance) C4'-P energy: -58.740 bonds (distance) P-C4' energy: -53.893 flat angles C4'-P-C4' energy: -66.712 flat angles P-C4'-P energy: -36.053 tors. eta vs tors. theta energy: -9.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1553.926739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.926739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.926739 (E_RNA) where: Base-Base interactions energy: -1122.805 where: short stacking energy: -437.888 Base-Backbone interact. energy: 0.816 local terms energy: -431.937905 where: bonds (distance) C4'-P energy: -80.615 bonds (distance) P-C4' energy: -88.195 flat angles C4'-P-C4' energy: -86.962 flat angles P-C4'-P energy: -53.787 tors. eta vs tors. theta energy: -122.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1438.500335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.500335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.500335 (E_RNA) where: Base-Base interactions energy: -1017.231 where: short stacking energy: -429.144 Base-Backbone interact. energy: 1.099 local terms energy: -422.368329 where: bonds (distance) C4'-P energy: -75.000 bonds (distance) P-C4' energy: -82.214 flat angles C4'-P-C4' energy: -87.450 flat angles P-C4'-P energy: -62.787 tors. eta vs tors. theta energy: -114.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1398.703134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.703134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.703134 (E_RNA) where: Base-Base interactions energy: -984.339 where: short stacking energy: -422.370 Base-Backbone interact. energy: -3.390 local terms energy: -410.973818 where: bonds (distance) C4'-P energy: -74.951 bonds (distance) P-C4' energy: -74.809 flat angles C4'-P-C4' energy: -85.739 flat angles P-C4'-P energy: -58.437 tors. eta vs tors. theta energy: -117.038 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: 266 Temperature: 1.050000 Total energy: -1308.733586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.733586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.733586 (E_RNA) where: Base-Base interactions energy: -903.754 where: short stacking energy: -376.789 Base-Backbone interact. energy: -1.465 local terms energy: -403.513973 where: bonds (distance) C4'-P energy: -77.431 bonds (distance) P-C4' energy: -73.786 flat angles C4'-P-C4' energy: -90.816 flat angles P-C4'-P energy: -61.681 tors. eta vs tors. theta energy: -99.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1319.217277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.217277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.217277 (E_RNA) where: Base-Base interactions energy: -927.349 where: short stacking energy: -403.103 Base-Backbone interact. energy: -2.998 local terms energy: -388.870846 where: bonds (distance) C4'-P energy: -66.456 bonds (distance) P-C4' energy: -66.355 flat angles C4'-P-C4' energy: -83.401 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -110.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1332.403347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.403347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.403347 (E_RNA) where: Base-Base interactions energy: -916.935 where: short stacking energy: -373.096 Base-Backbone interact. energy: -2.895 local terms energy: -412.573302 where: bonds (distance) C4'-P energy: -71.660 bonds (distance) P-C4' energy: -88.685 flat angles C4'-P-C4' energy: -95.782 flat angles P-C4'-P energy: -54.639 tors. eta vs tors. theta energy: -101.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1127.908409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.908409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.908409 (E_RNA) where: Base-Base interactions energy: -783.727 where: short stacking energy: -315.071 Base-Backbone interact. energy: -2.424 local terms energy: -341.758066 where: bonds (distance) C4'-P energy: -66.137 bonds (distance) P-C4' energy: -71.628 flat angles C4'-P-C4' energy: -85.293 flat angles P-C4'-P energy: -40.454 tors. eta vs tors. theta energy: -78.246 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: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1059.542394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.542394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.542394 (E_RNA) where: Base-Base interactions energy: -730.387 where: short stacking energy: -322.616 Base-Backbone interact. energy: -0.829 local terms energy: -328.326470 where: bonds (distance) C4'-P energy: -56.856 bonds (distance) P-C4' energy: -74.094 flat angles C4'-P-C4' energy: -82.481 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: -71.536 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: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -839.004284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.004284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.004284 (E_RNA) where: Base-Base interactions energy: -524.824 where: short stacking energy: -256.910 Base-Backbone interact. energy: -0.375 local terms energy: -313.804558 where: bonds (distance) C4'-P energy: -57.460 bonds (distance) P-C4' energy: -69.631 flat angles C4'-P-C4' energy: -77.787 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -60.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -534.997546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.997546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.997546 (E_RNA) where: Base-Base interactions energy: -279.738 where: short stacking energy: -147.428 Base-Backbone interact. energy: -1.969 local terms energy: -253.290900 where: bonds (distance) C4'-P energy: -76.775 bonds (distance) P-C4' energy: -68.309 flat angles C4'-P-C4' energy: -63.912 flat angles P-C4'-P energy: -35.080 tors. eta vs tors. theta energy: -9.214 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: 7 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1537.406154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.406154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.406154 (E_RNA) where: Base-Base interactions energy: -1099.603 where: short stacking energy: -441.093 Base-Backbone interact. energy: 1.664 local terms energy: -439.467828 where: bonds (distance) C4'-P energy: -88.793 bonds (distance) P-C4' energy: -76.623 flat angles C4'-P-C4' energy: -92.537 flat angles P-C4'-P energy: -55.661 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: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1475.991936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.991936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.991936 (E_RNA) where: Base-Base interactions energy: -1034.184 where: short stacking energy: -439.763 Base-Backbone interact. energy: -3.565 local terms energy: -438.243646 where: bonds (distance) C4'-P energy: -84.415 bonds (distance) P-C4' energy: -79.938 flat angles C4'-P-C4' energy: -93.383 flat angles P-C4'-P energy: -61.367 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: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1411.488859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.488859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.488859 (E_RNA) where: Base-Base interactions energy: -988.408 where: short stacking energy: -414.731 Base-Backbone interact. energy: -1.115 local terms energy: -421.965742 where: bonds (distance) C4'-P energy: -71.306 bonds (distance) P-C4' energy: -77.213 flat angles C4'-P-C4' energy: -92.077 flat angles P-C4'-P energy: -65.192 tors. eta vs tors. theta energy: -116.177 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: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1334.635387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.635387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.635387 (E_RNA) where: Base-Base interactions energy: -946.352 where: short stacking energy: -407.986 Base-Backbone interact. energy: -0.135 local terms energy: -388.148477 where: bonds (distance) C4'-P energy: -71.136 bonds (distance) P-C4' energy: -76.862 flat angles C4'-P-C4' energy: -85.831 flat angles P-C4'-P energy: -51.212 tors. eta vs tors. theta energy: -103.107 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: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1311.287802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.287802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.287802 (E_RNA) where: Base-Base interactions energy: -914.968 where: short stacking energy: -406.021 Base-Backbone interact. energy: -0.685 local terms energy: -395.635715 where: bonds (distance) C4'-P energy: -69.195 bonds (distance) P-C4' energy: -65.163 flat angles C4'-P-C4' energy: -85.884 flat angles P-C4'-P energy: -60.114 tors. eta vs tors. theta energy: -115.280 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: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1288.327787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.327787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.327787 (E_RNA) where: Base-Base interactions energy: -895.439 where: short stacking energy: -383.038 Base-Backbone interact. energy: -1.254 local terms energy: -391.634255 where: bonds (distance) C4'-P energy: -72.661 bonds (distance) P-C4' energy: -79.591 flat angles C4'-P-C4' energy: -88.850 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -96.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1136.150493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.150493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.150493 (E_RNA) where: Base-Base interactions energy: -793.166 where: short stacking energy: -314.088 Base-Backbone interact. energy: 0.201 local terms energy: -343.184699 where: bonds (distance) C4'-P energy: -65.574 bonds (distance) P-C4' energy: -77.108 flat angles C4'-P-C4' energy: -82.347 flat angles P-C4'-P energy: -52.391 tors. eta vs tors. theta energy: -65.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1061.576849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.576849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.576849 (E_RNA) where: Base-Base interactions energy: -743.934 where: short stacking energy: -322.808 Base-Backbone interact. energy: -2.809 local terms energy: -314.834040 where: bonds (distance) C4'-P energy: -59.366 bonds (distance) P-C4' energy: -62.891 flat angles C4'-P-C4' energy: -68.191 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -80.338 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: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -845.821413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.821413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.821413 (E_RNA) where: Base-Base interactions energy: -562.211 where: short stacking energy: -263.069 Base-Backbone interact. energy: -3.137 local terms energy: -280.473120 where: bonds (distance) C4'-P energy: -68.048 bonds (distance) P-C4' energy: -66.771 flat angles C4'-P-C4' energy: -65.358 flat angles P-C4'-P energy: -34.007 tors. eta vs tors. theta energy: -46.289 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: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -549.970499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.970499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.970499 (E_RNA) where: Base-Base interactions energy: -299.989 where: short stacking energy: -148.727 Base-Backbone interact. energy: -1.617 local terms energy: -248.364250 where: bonds (distance) C4'-P energy: -52.892 bonds (distance) P-C4' energy: -76.496 flat angles C4'-P-C4' energy: -59.012 flat angles P-C4'-P energy: -57.359 tors. eta vs tors. theta energy: -2.604 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: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1481.666472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.666472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.666472 (E_RNA) where: Base-Base interactions energy: -1048.073 where: short stacking energy: -429.996 Base-Backbone interact. energy: -1.702 local terms energy: -431.891842 where: bonds (distance) C4'-P energy: -83.543 bonds (distance) P-C4' energy: -75.740 flat angles C4'-P-C4' energy: -94.155 flat angles P-C4'-P energy: -60.978 tors. eta vs tors. theta energy: -117.476 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: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1514.843868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.843868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.843868 (E_RNA) where: Base-Base interactions energy: -1074.759 where: short stacking energy: -424.536 Base-Backbone interact. energy: -1.772 local terms energy: -438.313257 where: bonds (distance) C4'-P energy: -76.746 bonds (distance) P-C4' energy: -81.738 flat angles C4'-P-C4' energy: -96.095 flat angles P-C4'-P energy: -62.607 tors. eta vs tors. theta energy: -121.127 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: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1456.554482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.554482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.554482 (E_RNA) where: Base-Base interactions energy: -1030.021 where: short stacking energy: -446.771 Base-Backbone interact. energy: -1.901 local terms energy: -424.631978 where: bonds (distance) C4'-P energy: -80.366 bonds (distance) P-C4' energy: -72.789 flat angles C4'-P-C4' energy: -92.890 flat angles P-C4'-P energy: -54.887 tors. eta vs tors. theta energy: -123.701 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: 268 Temperature: 1.050000 Total energy: -1339.839693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.839693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.839693 (E_RNA) where: Base-Base interactions energy: -923.725 where: short stacking energy: -401.094 Base-Backbone interact. energy: -1.765 local terms energy: -414.350357 where: bonds (distance) C4'-P energy: -73.744 bonds (distance) P-C4' energy: -85.253 flat angles C4'-P-C4' energy: -94.700 flat angles P-C4'-P energy: -55.034 tors. eta vs tors. theta energy: -105.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1312.014917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.014917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.014917 (E_RNA) where: Base-Base interactions energy: -894.353 where: short stacking energy: -399.917 Base-Backbone interact. energy: 0.439 local terms energy: -418.100777 where: bonds (distance) C4'-P energy: -59.647 bonds (distance) P-C4' energy: -81.673 flat angles C4'-P-C4' energy: -85.080 flat angles P-C4'-P energy: -70.948 tors. eta vs tors. theta energy: -120.753 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: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1269.307073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.307073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.307073 (E_RNA) where: Base-Base interactions energy: -882.081 where: short stacking energy: -379.377 Base-Backbone interact. energy: 0.947 local terms energy: -388.172874 where: bonds (distance) C4'-P energy: -75.468 bonds (distance) P-C4' energy: -80.300 flat angles C4'-P-C4' energy: -85.739 flat angles P-C4'-P energy: -56.642 tors. eta vs tors. theta energy: -90.024 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: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1102.768041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.768041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.768041 (E_RNA) where: Base-Base interactions energy: -767.758 where: short stacking energy: -325.502 Base-Backbone interact. energy: -0.368 local terms energy: -334.641358 where: bonds (distance) C4'-P energy: -61.111 bonds (distance) P-C4' energy: -69.224 flat angles C4'-P-C4' energy: -74.018 flat angles P-C4'-P energy: -52.813 tors. eta vs tors. theta energy: -77.475 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: 268 Temperature: 1.250000 Total energy: -1066.361829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.361829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.361829 (E_RNA) where: Base-Base interactions energy: -737.246 where: short stacking energy: -323.677 Base-Backbone interact. energy: 0.121 local terms energy: -329.236650 where: bonds (distance) C4'-P energy: -73.807 bonds (distance) P-C4' energy: -68.088 flat angles C4'-P-C4' energy: -68.723 flat angles P-C4'-P energy: -45.303 tors. eta vs tors. theta energy: -73.315 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: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -806.167885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.167885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.167885 (E_RNA) where: Base-Base interactions energy: -510.490 where: short stacking energy: -230.036 Base-Backbone interact. energy: 1.255 local terms energy: -296.932822 where: bonds (distance) C4'-P energy: -69.296 bonds (distance) P-C4' energy: -80.951 flat angles C4'-P-C4' energy: -66.053 flat angles P-C4'-P energy: -39.637 tors. eta vs tors. theta energy: -40.995 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: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -559.799908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.799908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.799908 (E_RNA) where: Base-Base interactions energy: -317.562 where: short stacking energy: -150.311 Base-Backbone interact. energy: 3.059 local terms energy: -245.296601 where: bonds (distance) C4'-P energy: -66.642 bonds (distance) P-C4' energy: -73.518 flat angles C4'-P-C4' energy: -55.366 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -6.187 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: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1501.658485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.658485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.658485 (E_RNA) where: Base-Base interactions energy: -1052.599 where: short stacking energy: -426.051 Base-Backbone interact. energy: -2.630 local terms energy: -446.429156 where: bonds (distance) C4'-P energy: -80.804 bonds (distance) P-C4' energy: -88.318 flat angles C4'-P-C4' energy: -93.997 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -117.485 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: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1509.252182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.252182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.252182 (E_RNA) where: Base-Base interactions energy: -1075.274 where: short stacking energy: -409.544 Base-Backbone interact. energy: -1.228 local terms energy: -432.749771 where: bonds (distance) C4'-P energy: -82.207 bonds (distance) P-C4' energy: -74.104 flat angles C4'-P-C4' energy: -97.086 flat angles P-C4'-P energy: -58.576 tors. eta vs tors. theta energy: -120.777 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: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1418.061752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.061752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.061752 (E_RNA) where: Base-Base interactions energy: -994.483 where: short stacking energy: -421.604 Base-Backbone interact. energy: -1.566 local terms energy: -422.013120 where: bonds (distance) C4'-P energy: -69.644 bonds (distance) P-C4' energy: -92.314 flat angles C4'-P-C4' energy: -92.372 flat angles P-C4'-P energy: -56.398 tors. eta vs tors. theta energy: -111.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1314.096735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.096735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.096735 (E_RNA) where: Base-Base interactions energy: -891.809 where: short stacking energy: -396.165 Base-Backbone interact. energy: -0.695 local terms energy: -421.592719 where: bonds (distance) C4'-P energy: -77.881 bonds (distance) P-C4' energy: -79.128 flat angles C4'-P-C4' energy: -86.933 flat angles P-C4'-P energy: -58.280 tors. eta vs tors. theta energy: -119.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1267.829344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.829344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.829344 (E_RNA) where: Base-Base interactions energy: -862.269 where: short stacking energy: -370.288 Base-Backbone interact. energy: -2.289 local terms energy: -403.271136 where: bonds (distance) C4'-P energy: -77.548 bonds (distance) P-C4' energy: -74.531 flat angles C4'-P-C4' energy: -93.049 flat angles P-C4'-P energy: -63.284 tors. eta vs tors. theta energy: -94.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1238.384236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.384236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.384236 (E_RNA) where: Base-Base interactions energy: -846.789 where: short stacking energy: -344.987 Base-Backbone interact. energy: 3.353 local terms energy: -394.948450 where: bonds (distance) C4'-P energy: -61.695 bonds (distance) P-C4' energy: -84.519 flat angles C4'-P-C4' energy: -87.339 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -102.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1086.088304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.088304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.088304 (E_RNA) where: Base-Base interactions energy: -722.985 where: short stacking energy: -298.005 Base-Backbone interact. energy: -1.897 local terms energy: -361.205841 where: bonds (distance) C4'-P energy: -70.323 bonds (distance) P-C4' energy: -79.496 flat angles C4'-P-C4' energy: -90.431 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -75.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1028.452454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.452454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.452454 (E_RNA) where: Base-Base interactions energy: -674.511 where: short stacking energy: -294.571 Base-Backbone interact. energy: 0.139 local terms energy: -354.080730 where: bonds (distance) C4'-P energy: -64.999 bonds (distance) P-C4' energy: -90.257 flat angles C4'-P-C4' energy: -78.409 flat angles P-C4'-P energy: -48.319 tors. eta vs tors. theta energy: -72.097 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: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -842.097066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.097066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.097066 (E_RNA) where: Base-Base interactions energy: -545.805 where: short stacking energy: -275.849 Base-Backbone interact. energy: 2.232 local terms energy: -298.524607 where: bonds (distance) C4'-P energy: -51.828 bonds (distance) P-C4' energy: -82.197 flat angles C4'-P-C4' energy: -70.187 flat angles P-C4'-P energy: -38.003 tors. eta vs tors. theta energy: -56.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -580.177654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.177654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.177654 (E_RNA) where: Base-Base interactions energy: -341.352 where: short stacking energy: -165.670 Base-Backbone interact. energy: -1.225 local terms energy: -237.600746 where: bonds (distance) C4'-P energy: -65.109 bonds (distance) P-C4' energy: -67.797 flat angles C4'-P-C4' energy: -58.004 flat angles P-C4'-P energy: -30.343 tors. eta vs tors. theta energy: -16.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1509.202756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.202756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.202756 (E_RNA) where: Base-Base interactions energy: -1065.903 where: short stacking energy: -435.521 Base-Backbone interact. energy: -1.094 local terms energy: -442.206251 where: bonds (distance) C4'-P energy: -84.766 bonds (distance) P-C4' energy: -90.539 flat angles C4'-P-C4' energy: -84.716 flat angles P-C4'-P energy: -60.349 tors. eta vs tors. theta energy: -121.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1541.776464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.776464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.776464 (E_RNA) where: Base-Base interactions energy: -1089.532 where: short stacking energy: -441.028 Base-Backbone interact. energy: -1.823 local terms energy: -450.420860 where: bonds (distance) C4'-P energy: -79.193 bonds (distance) P-C4' energy: -84.397 flat angles C4'-P-C4' energy: -98.757 flat angles P-C4'-P energy: -58.599 tors. eta vs tors. theta energy: -129.475 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: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1416.170472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.170472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.170472 (E_RNA) where: Base-Base interactions energy: -980.033 where: short stacking energy: -428.701 Base-Backbone interact. energy: -1.934 local terms energy: -434.203402 where: bonds (distance) C4'-P energy: -82.420 bonds (distance) P-C4' energy: -72.850 flat angles C4'-P-C4' energy: -85.742 flat angles P-C4'-P energy: -70.289 tors. eta vs tors. theta energy: -122.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1331.932848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.932848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.932848 (E_RNA) where: Base-Base interactions energy: -929.207 where: short stacking energy: -413.805 Base-Backbone interact. energy: -1.918 local terms energy: -400.807720 where: bonds (distance) C4'-P energy: -70.751 bonds (distance) P-C4' energy: -74.640 flat angles C4'-P-C4' energy: -88.735 flat angles P-C4'-P energy: -55.697 tors. eta vs tors. theta energy: -110.984 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: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1283.643804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.643804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.643804 (E_RNA) where: Base-Base interactions energy: -878.600 where: short stacking energy: -390.495 Base-Backbone interact. energy: -1.111 local terms energy: -403.933031 where: bonds (distance) C4'-P energy: -76.780 bonds (distance) P-C4' energy: -79.382 flat angles C4'-P-C4' energy: -94.554 flat angles P-C4'-P energy: -50.784 tors. eta vs tors. theta energy: -102.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1255.554759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.554759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.554759 (E_RNA) where: Base-Base interactions energy: -878.521 where: short stacking energy: -381.153 Base-Backbone interact. energy: 0.577 local terms energy: -377.611262 where: bonds (distance) C4'-P energy: -69.447 bonds (distance) P-C4' energy: -72.602 flat angles C4'-P-C4' energy: -88.348 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -95.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1096.882056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.882056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.882056 (E_RNA) where: Base-Base interactions energy: -748.255 where: short stacking energy: -326.941 Base-Backbone interact. energy: 3.923 local terms energy: -352.549814 where: bonds (distance) C4'-P energy: -65.869 bonds (distance) P-C4' energy: -84.656 flat angles C4'-P-C4' energy: -81.905 flat angles P-C4'-P energy: -39.777 tors. eta vs tors. theta energy: -80.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1090.076345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.076345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.076345 (E_RNA) where: Base-Base interactions energy: -772.089 where: short stacking energy: -319.061 Base-Backbone interact. energy: 0.616 local terms energy: -318.603433 where: bonds (distance) C4'-P energy: -44.285 bonds (distance) P-C4' energy: -58.443 flat angles C4'-P-C4' energy: -90.122 flat angles P-C4'-P energy: -53.046 tors. eta vs tors. theta energy: -72.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -914.028633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.028633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.028633 (E_RNA) where: Base-Base interactions energy: -597.039 where: short stacking energy: -292.600 Base-Backbone interact. energy: -1.323 local terms energy: -315.666702 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -81.861 flat angles C4'-P-C4' energy: -71.382 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -56.138 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: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -537.727842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.727842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.727842 (E_RNA) where: Base-Base interactions energy: -307.289 where: short stacking energy: -183.643 Base-Backbone interact. energy: 4.813 local terms energy: -235.252683 where: bonds (distance) C4'-P energy: -48.726 bonds (distance) P-C4' energy: -71.559 flat angles C4'-P-C4' energy: -73.155 flat angles P-C4'-P energy: -34.707 tors. eta vs tors. theta energy: -7.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1486.942026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.942026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.942026 (E_RNA) where: Base-Base interactions energy: -1041.004 where: short stacking energy: -425.811 Base-Backbone interact. energy: -0.979 local terms energy: -444.958514 where: bonds (distance) C4'-P energy: -81.561 bonds (distance) P-C4' energy: -87.175 flat angles C4'-P-C4' energy: -98.681 flat angles P-C4'-P energy: -66.452 tors. eta vs tors. theta energy: -111.090 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: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1505.765463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.765463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.765463 (E_RNA) where: Base-Base interactions energy: -1072.482 where: short stacking energy: -435.773 Base-Backbone interact. energy: 0.505 local terms energy: -433.788006 where: bonds (distance) C4'-P energy: -77.444 bonds (distance) P-C4' energy: -83.882 flat angles C4'-P-C4' energy: -99.249 flat angles P-C4'-P energy: -50.709 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: 3, replica: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1408.776096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.776096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.776096 (E_RNA) where: Base-Base interactions energy: -973.015 where: short stacking energy: -413.292 Base-Backbone interact. energy: -2.383 local terms energy: -433.378083 where: bonds (distance) C4'-P energy: -79.645 bonds (distance) P-C4' energy: -87.517 flat angles C4'-P-C4' energy: -89.694 flat angles P-C4'-P energy: -62.218 tors. eta vs tors. theta energy: -114.304 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: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1326.068455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.068455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.068455 (E_RNA) where: Base-Base interactions energy: -907.965 where: short stacking energy: -387.223 Base-Backbone interact. energy: 0.583 local terms energy: -418.686468 where: bonds (distance) C4'-P energy: -66.350 bonds (distance) P-C4' energy: -91.853 flat angles C4'-P-C4' energy: -90.995 flat angles P-C4'-P energy: -58.167 tors. eta vs tors. theta energy: -111.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1262.348628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.348628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.348628 (E_RNA) where: Base-Base interactions energy: -876.883 where: short stacking energy: -387.682 Base-Backbone interact. energy: -3.892 local terms energy: -381.574120 where: bonds (distance) C4'-P energy: -70.327 bonds (distance) P-C4' energy: -73.938 flat angles C4'-P-C4' energy: -81.304 flat angles P-C4'-P energy: -57.939 tors. eta vs tors. theta energy: -98.066 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: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1218.826289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.826289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.826289 (E_RNA) where: Base-Base interactions energy: -846.503 where: short stacking energy: -359.819 Base-Backbone interact. energy: -1.390 local terms energy: -370.934121 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -63.649 flat angles C4'-P-C4' energy: -85.259 flat angles P-C4'-P energy: -51.749 tors. eta vs tors. theta energy: -93.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1094.992580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.992580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.992580 (E_RNA) where: Base-Base interactions energy: -747.249 where: short stacking energy: -338.290 Base-Backbone interact. energy: -2.329 local terms energy: -345.415318 where: bonds (distance) C4'-P energy: -70.889 bonds (distance) P-C4' energy: -65.404 flat angles C4'-P-C4' energy: -83.091 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -80.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1090.397483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.397483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.397483 (E_RNA) where: Base-Base interactions energy: -739.182 where: short stacking energy: -319.552 Base-Backbone interact. energy: -2.555 local terms energy: -348.660228 where: bonds (distance) C4'-P energy: -67.078 bonds (distance) P-C4' energy: -69.796 flat angles C4'-P-C4' energy: -74.945 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: -78.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -932.571262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.571262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.571262 (E_RNA) where: Base-Base interactions energy: -604.969 where: short stacking energy: -286.085 Base-Backbone interact. energy: 1.859 local terms energy: -329.461378 where: bonds (distance) C4'-P energy: -69.113 bonds (distance) P-C4' energy: -61.165 flat angles C4'-P-C4' energy: -85.779 flat angles P-C4'-P energy: -50.941 tors. eta vs tors. theta energy: -62.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -538.567587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.567587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.567587 (E_RNA) where: Base-Base interactions energy: -320.305 where: short stacking energy: -153.668 Base-Backbone interact. energy: -1.211 local terms energy: -217.050921 where: bonds (distance) C4'-P energy: -67.834 bonds (distance) P-C4' energy: -66.930 flat angles C4'-P-C4' energy: -59.411 flat angles P-C4'-P energy: -23.564 tors. eta vs tors. theta energy: 0.688 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: 7 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1550.039274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.039274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.039274 (E_RNA) where: Base-Base interactions energy: -1096.190 where: short stacking energy: -428.436 Base-Backbone interact. energy: -2.932 local terms energy: -450.918179 where: bonds (distance) C4'-P energy: -84.082 bonds (distance) P-C4' energy: -83.863 flat angles C4'-P-C4' energy: -97.772 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: -127.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1471.533839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.533839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.533839 (E_RNA) where: Base-Base interactions energy: -1040.636 where: short stacking energy: -431.408 Base-Backbone interact. energy: 0.574 local terms energy: -431.471145 where: bonds (distance) C4'-P energy: -86.825 bonds (distance) P-C4' energy: -83.819 flat angles C4'-P-C4' energy: -88.761 flat angles P-C4'-P energy: -58.969 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: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1392.494843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.494843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.494843 (E_RNA) where: Base-Base interactions energy: -972.116 where: short stacking energy: -405.865 Base-Backbone interact. energy: -3.670 local terms energy: -416.709139 where: bonds (distance) C4'-P energy: -74.854 bonds (distance) P-C4' energy: -78.244 flat angles C4'-P-C4' energy: -86.859 flat angles P-C4'-P energy: -62.539 tors. eta vs tors. theta energy: -114.213 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: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1355.806102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.806102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.806102 (E_RNA) where: Base-Base interactions energy: -910.227 where: short stacking energy: -400.532 Base-Backbone interact. energy: -2.758 local terms energy: -442.820562 where: bonds (distance) C4'-P energy: -85.365 bonds (distance) P-C4' energy: -84.990 flat angles C4'-P-C4' energy: -88.958 flat angles P-C4'-P energy: -69.304 tors. eta vs tors. theta energy: -114.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1310.994405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.994405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.994405 (E_RNA) where: Base-Base interactions energy: -909.591 where: short stacking energy: -374.301 Base-Backbone interact. energy: -3.933 local terms energy: -398.884744 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -81.765 flat angles C4'-P-C4' energy: -83.471 flat angles P-C4'-P energy: -58.571 tors. eta vs tors. theta energy: -99.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.414 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1240.075518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.075518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.075518 (E_RNA) where: Base-Base interactions energy: -865.421 where: short stacking energy: -377.120 Base-Backbone interact. energy: -0.473 local terms energy: -374.181649 where: bonds (distance) C4'-P energy: -65.429 bonds (distance) P-C4' energy: -65.089 flat angles C4'-P-C4' energy: -81.737 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -104.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1151.948309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.948309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.948309 (E_RNA) where: Base-Base interactions energy: -812.076 where: short stacking energy: -324.845 Base-Backbone interact. energy: 0.367 local terms energy: -340.239175 where: bonds (distance) C4'-P energy: -77.118 bonds (distance) P-C4' energy: -63.178 flat angles C4'-P-C4' energy: -74.900 flat angles P-C4'-P energy: -51.578 tors. eta vs tors. theta energy: -73.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1088.746363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.746363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.746363 (E_RNA) where: Base-Base interactions energy: -730.910 where: short stacking energy: -307.115 Base-Backbone interact. energy: -2.431 local terms energy: -355.405701 where: bonds (distance) C4'-P energy: -66.987 bonds (distance) P-C4' energy: -81.967 flat angles C4'-P-C4' energy: -80.582 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -79.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -904.641312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.641312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.641312 (E_RNA) where: Base-Base interactions energy: -608.035 where: short stacking energy: -285.930 Base-Backbone interact. energy: -0.443 local terms energy: -296.163063 where: bonds (distance) C4'-P energy: -67.782 bonds (distance) P-C4' energy: -67.436 flat angles C4'-P-C4' energy: -61.399 flat angles P-C4'-P energy: -40.009 tors. eta vs tors. theta energy: -59.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -571.549278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.549278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.549278 (E_RNA) where: Base-Base interactions energy: -295.690 where: short stacking energy: -156.006 Base-Backbone interact. energy: 3.623 local terms energy: -279.482202 where: bonds (distance) C4'-P energy: -65.515 bonds (distance) P-C4' energy: -81.494 flat angles C4'-P-C4' energy: -71.812 flat angles P-C4'-P energy: -43.754 tors. eta vs tors. theta energy: -16.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1532.617967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.617967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.617967 (E_RNA) where: Base-Base interactions energy: -1085.444 where: short stacking energy: -449.669 Base-Backbone interact. energy: -2.666 local terms energy: -444.507975 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -89.881 flat angles C4'-P-C4' energy: -95.826 flat angles P-C4'-P energy: -54.374 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: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1461.223349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.223349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.223349 (E_RNA) where: Base-Base interactions energy: -1017.641 where: short stacking energy: -425.816 Base-Backbone interact. energy: 2.145 local terms energy: -445.727379 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -90.549 flat angles C4'-P-C4' energy: -89.471 flat angles P-C4'-P energy: -65.372 tors. eta vs tors. theta energy: -119.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1422.662240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.662240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.662240 (E_RNA) where: Base-Base interactions energy: -982.171 where: short stacking energy: -415.660 Base-Backbone interact. energy: -1.796 local terms energy: -438.695537 where: bonds (distance) C4'-P energy: -89.498 bonds (distance) P-C4' energy: -90.084 flat angles C4'-P-C4' energy: -88.035 flat angles P-C4'-P energy: -56.790 tors. eta vs tors. theta energy: -114.289 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: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1382.438074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.438074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.438074 (E_RNA) where: Base-Base interactions energy: -967.197 where: short stacking energy: -423.830 Base-Backbone interact. energy: -1.656 local terms energy: -413.585385 where: bonds (distance) C4'-P energy: -75.382 bonds (distance) P-C4' energy: -77.966 flat angles C4'-P-C4' energy: -82.512 flat angles P-C4'-P energy: -57.246 tors. eta vs tors. theta energy: -120.479 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: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1307.697590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.697590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.697590 (E_RNA) where: Base-Base interactions energy: -900.893 where: short stacking energy: -386.350 Base-Backbone interact. energy: -0.829 local terms energy: -405.975563 where: bonds (distance) C4'-P energy: -78.138 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -97.848 flat angles P-C4'-P energy: -56.047 tors. eta vs tors. theta energy: -112.106 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: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1245.916552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.916552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.916552 (E_RNA) where: Base-Base interactions energy: -846.066 where: short stacking energy: -365.962 Base-Backbone interact. energy: -1.598 local terms energy: -398.252671 where: bonds (distance) C4'-P energy: -69.986 bonds (distance) P-C4' energy: -80.179 flat angles C4'-P-C4' energy: -82.569 flat angles P-C4'-P energy: -65.916 tors. eta vs tors. theta energy: -99.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1160.719716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.719716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.719716 (E_RNA) where: Base-Base interactions energy: -810.293 where: short stacking energy: -343.795 Base-Backbone interact. energy: 2.041 local terms energy: -352.467563 where: bonds (distance) C4'-P energy: -74.360 bonds (distance) P-C4' energy: -85.100 flat angles C4'-P-C4' energy: -78.257 flat angles P-C4'-P energy: -38.640 tors. eta vs tors. theta energy: -76.110 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: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1140.067187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.067187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.067187 (E_RNA) where: Base-Base interactions energy: -793.886 where: short stacking energy: -333.155 Base-Backbone interact. energy: 0.815 local terms energy: -346.996200 where: bonds (distance) C4'-P energy: -70.566 bonds (distance) P-C4' energy: -67.734 flat angles C4'-P-C4' energy: -71.152 flat angles P-C4'-P energy: -57.040 tors. eta vs tors. theta energy: -80.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -895.300596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.300596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.300596 (E_RNA) where: Base-Base interactions energy: -596.580 where: short stacking energy: -264.826 Base-Backbone interact. energy: -2.441 local terms energy: -296.280333 where: bonds (distance) C4'-P energy: -64.013 bonds (distance) P-C4' energy: -68.510 flat angles C4'-P-C4' energy: -78.422 flat angles P-C4'-P energy: -26.554 tors. eta vs tors. theta energy: -58.781 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: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -557.122392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.122392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.122392 (E_RNA) where: Base-Base interactions energy: -290.015 where: short stacking energy: -142.966 Base-Backbone interact. energy: -1.237 local terms energy: -265.869763 where: bonds (distance) C4'-P energy: -68.416 bonds (distance) P-C4' energy: -80.145 flat angles C4'-P-C4' energy: -53.607 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: -14.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1545.557880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.557880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.557880 (E_RNA) where: Base-Base interactions energy: -1096.679 where: short stacking energy: -431.479 Base-Backbone interact. energy: 4.760 local terms energy: -453.638649 where: bonds (distance) C4'-P energy: -81.422 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -65.246 tors. eta vs tors. theta energy: -120.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1445.229681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.229681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.229681 (E_RNA) where: Base-Base interactions energy: -1047.401 where: short stacking energy: -424.673 Base-Backbone interact. energy: -0.158 local terms energy: -397.670460 where: bonds (distance) C4'-P energy: -68.087 bonds (distance) P-C4' energy: -66.967 flat angles C4'-P-C4' energy: -86.104 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: -114.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1444.221801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.221801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.221801 (E_RNA) where: Base-Base interactions energy: -997.190 where: short stacking energy: -427.770 Base-Backbone interact. energy: -0.317 local terms energy: -448.258475 where: bonds (distance) C4'-P energy: -85.586 bonds (distance) P-C4' energy: -81.684 flat angles C4'-P-C4' energy: -94.638 flat angles P-C4'-P energy: -61.106 tors. eta vs tors. theta energy: -125.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.543 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1365.830535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.830535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.830535 (E_RNA) where: Base-Base interactions energy: -968.333 where: short stacking energy: -403.770 Base-Backbone interact. energy: -1.855 local terms energy: -395.642076 where: bonds (distance) C4'-P energy: -78.414 bonds (distance) P-C4' energy: -75.885 flat angles C4'-P-C4' energy: -90.766 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -108.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1315.704892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.704892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.704892 (E_RNA) where: Base-Base interactions energy: -905.134 where: short stacking energy: -381.243 Base-Backbone interact. energy: -1.600 local terms energy: -408.970379 where: bonds (distance) C4'-P energy: -83.423 bonds (distance) P-C4' energy: -75.731 flat angles C4'-P-C4' energy: -91.661 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -98.088 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: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1234.013388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.013388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.013388 (E_RNA) where: Base-Base interactions energy: -849.151 where: short stacking energy: -368.951 Base-Backbone interact. energy: 0.136 local terms energy: -384.998027 where: bonds (distance) C4'-P energy: -73.533 bonds (distance) P-C4' energy: -69.899 flat angles C4'-P-C4' energy: -82.279 flat angles P-C4'-P energy: -59.319 tors. eta vs tors. theta energy: -99.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1152.282413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.282413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.282413 (E_RNA) where: Base-Base interactions energy: -796.038 where: short stacking energy: -356.184 Base-Backbone interact. energy: -0.708 local terms energy: -355.536241 where: bonds (distance) C4'-P energy: -75.026 bonds (distance) P-C4' energy: -61.694 flat angles C4'-P-C4' energy: -81.863 flat angles P-C4'-P energy: -54.615 tors. eta vs tors. theta energy: -82.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1089.979482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.979482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.979482 (E_RNA) where: Base-Base interactions energy: -747.745 where: short stacking energy: -306.792 Base-Backbone interact. energy: 0.878 local terms energy: -343.112185 where: bonds (distance) C4'-P energy: -78.997 bonds (distance) P-C4' energy: -72.658 flat angles C4'-P-C4' energy: -78.131 flat angles P-C4'-P energy: -44.251 tors. eta vs tors. theta energy: -69.075 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: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -873.030044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.030044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.030044 (E_RNA) where: Base-Base interactions energy: -546.684 where: short stacking energy: -256.036 Base-Backbone interact. energy: -0.472 local terms energy: -325.874220 where: bonds (distance) C4'-P energy: -64.711 bonds (distance) P-C4' energy: -79.549 flat angles C4'-P-C4' energy: -79.339 flat angles P-C4'-P energy: -49.199 tors. eta vs tors. theta energy: -53.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -535.527870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.527870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.527870 (E_RNA) where: Base-Base interactions energy: -296.640 where: short stacking energy: -144.300 Base-Backbone interact. energy: -0.410 local terms energy: -238.478077 where: bonds (distance) C4'-P energy: -74.567 bonds (distance) P-C4' energy: -72.104 flat angles C4'-P-C4' energy: -59.573 flat angles P-C4'-P energy: -29.413 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1531.052819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.052819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.052819 (E_RNA) where: Base-Base interactions energy: -1096.217 where: short stacking energy: -418.948 Base-Backbone interact. energy: -2.637 local terms energy: -432.199647 where: bonds (distance) C4'-P energy: -81.750 bonds (distance) P-C4' energy: -79.989 flat angles C4'-P-C4' energy: -96.795 flat angles P-C4'-P energy: -60.163 tors. eta vs tors. theta energy: -113.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1460.876757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.876757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.876757 (E_RNA) where: Base-Base interactions energy: -1002.384 where: short stacking energy: -428.456 Base-Backbone interact. energy: -2.760 local terms energy: -455.732668 where: bonds (distance) C4'-P energy: -78.983 bonds (distance) P-C4' energy: -86.740 flat angles C4'-P-C4' energy: -97.262 flat angles P-C4'-P energy: -66.103 tors. eta vs tors. theta energy: -126.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1428.239331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.239331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.239331 (E_RNA) where: Base-Base interactions energy: -1013.111 where: short stacking energy: -401.678 Base-Backbone interact. energy: 0.205 local terms energy: -415.333214 where: bonds (distance) C4'-P energy: -69.306 bonds (distance) P-C4' energy: -82.768 flat angles C4'-P-C4' energy: -88.207 flat angles P-C4'-P energy: -67.147 tors. eta vs tors. theta energy: -107.905 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: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1388.891830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.891830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.891830 (E_RNA) where: Base-Base interactions energy: -961.748 where: short stacking energy: -424.088 Base-Backbone interact. energy: 1.548 local terms energy: -428.691726 where: bonds (distance) C4'-P energy: -77.680 bonds (distance) P-C4' energy: -72.217 flat angles C4'-P-C4' energy: -91.802 flat angles P-C4'-P energy: -61.651 tors. eta vs tors. theta energy: -125.342 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: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1315.898856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.898856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.898856 (E_RNA) where: Base-Base interactions energy: -894.924 where: short stacking energy: -356.207 Base-Backbone interact. energy: -2.484 local terms energy: -418.490281 where: bonds (distance) C4'-P energy: -72.125 bonds (distance) P-C4' energy: -79.584 flat angles C4'-P-C4' energy: -89.296 flat angles P-C4'-P energy: -59.828 tors. eta vs tors. theta energy: -117.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1257.762394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.762394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.762394 (E_RNA) where: Base-Base interactions energy: -874.744 where: short stacking energy: -377.301 Base-Backbone interact. energy: -0.802 local terms energy: -382.216985 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -73.678 flat angles C4'-P-C4' energy: -82.604 flat angles P-C4'-P energy: -59.402 tors. eta vs tors. theta energy: -97.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1028.779344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.779344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.779344 (E_RNA) where: Base-Base interactions energy: -705.327 where: short stacking energy: -300.532 Base-Backbone interact. energy: -0.114 local terms energy: -323.337672 where: bonds (distance) C4'-P energy: -63.856 bonds (distance) P-C4' energy: -71.118 flat angles C4'-P-C4' energy: -84.890 flat angles P-C4'-P energy: -35.184 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: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1073.070834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.070834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.070834 (E_RNA) where: Base-Base interactions energy: -738.997 where: short stacking energy: -305.775 Base-Backbone interact. energy: -0.092 local terms energy: -333.981476 where: bonds (distance) C4'-P energy: -61.240 bonds (distance) P-C4' energy: -78.424 flat angles C4'-P-C4' energy: -81.263 flat angles P-C4'-P energy: -47.904 tors. eta vs tors. theta energy: -65.151 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: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -833.994971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.994971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.994971 (E_RNA) where: Base-Base interactions energy: -521.428 where: short stacking energy: -245.331 Base-Backbone interact. energy: -1.534 local terms energy: -311.032245 where: bonds (distance) C4'-P energy: -76.955 bonds (distance) P-C4' energy: -69.859 flat angles C4'-P-C4' energy: -71.378 flat angles P-C4'-P energy: -44.679 tors. eta vs tors. theta energy: -48.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -577.822339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.822339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.822339 (E_RNA) where: Base-Base interactions energy: -317.434 where: short stacking energy: -148.486 Base-Backbone interact. energy: 0.250 local terms energy: -260.638285 where: bonds (distance) C4'-P energy: -57.397 bonds (distance) P-C4' energy: -73.529 flat angles C4'-P-C4' energy: -78.725 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: -15.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1533.265670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.265670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.265670 (E_RNA) where: Base-Base interactions energy: -1080.392 where: short stacking energy: -431.549 Base-Backbone interact. energy: -1.316 local terms energy: -451.557920 where: bonds (distance) C4'-P energy: -85.897 bonds (distance) P-C4' energy: -86.326 flat angles C4'-P-C4' energy: -87.815 flat angles P-C4'-P energy: -61.529 tors. eta vs tors. theta energy: -129.991 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: 4 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1466.917081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.917081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.917081 (E_RNA) where: Base-Base interactions energy: -1029.959 where: short stacking energy: -447.814 Base-Backbone interact. energy: -0.804 local terms energy: -436.153910 where: bonds (distance) C4'-P energy: -71.805 bonds (distance) P-C4' energy: -70.736 flat angles C4'-P-C4' energy: -95.076 flat angles P-C4'-P energy: -68.777 tors. eta vs tors. theta energy: -129.759 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: 10 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1450.368273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.368273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.368273 (E_RNA) where: Base-Base interactions energy: -1032.943 where: short stacking energy: -421.987 Base-Backbone interact. energy: 3.045 local terms energy: -420.470227 where: bonds (distance) C4'-P energy: -84.281 bonds (distance) P-C4' energy: -76.656 flat angles C4'-P-C4' energy: -84.925 flat angles P-C4'-P energy: -57.499 tors. eta vs tors. theta energy: -117.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1340.151329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.151329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.151329 (E_RNA) where: Base-Base interactions energy: -921.263 where: short stacking energy: -394.778 Base-Backbone interact. energy: -1.321 local terms energy: -417.567135 where: bonds (distance) C4'-P energy: -77.372 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -91.975 flat angles P-C4'-P energy: -63.997 tors. eta vs tors. theta energy: -102.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1343.314706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.314706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.314706 (E_RNA) where: Base-Base interactions energy: -932.978 where: short stacking energy: -403.160 Base-Backbone interact. energy: -2.437 local terms energy: -407.899577 where: bonds (distance) C4'-P energy: -60.529 bonds (distance) P-C4' energy: -76.280 flat angles C4'-P-C4' energy: -79.686 flat angles P-C4'-P energy: -64.915 tors. eta vs tors. theta energy: -126.489 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: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1268.500398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.500398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.500398 (E_RNA) where: Base-Base interactions energy: -866.843 where: short stacking energy: -362.572 Base-Backbone interact. energy: -1.366 local terms energy: -400.290978 where: bonds (distance) C4'-P energy: -74.893 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -84.645 flat angles P-C4'-P energy: -59.890 tors. eta vs tors. theta energy: -102.165 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: 6 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1108.942233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.942233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.942233 (E_RNA) where: Base-Base interactions energy: -758.715 where: short stacking energy: -307.755 Base-Backbone interact. energy: -3.839 local terms energy: -346.388881 where: bonds (distance) C4'-P energy: -69.186 bonds (distance) P-C4' energy: -72.791 flat angles C4'-P-C4' energy: -70.068 flat angles P-C4'-P energy: -56.435 tors. eta vs tors. theta energy: -77.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1084.139422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.139422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.139422 (E_RNA) where: Base-Base interactions energy: -751.993 where: short stacking energy: -299.078 Base-Backbone interact. energy: 0.611 local terms energy: -332.757636 where: bonds (distance) C4'-P energy: -73.947 bonds (distance) P-C4' energy: -64.725 flat angles C4'-P-C4' energy: -77.118 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -65.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -778.401401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.401401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.401401 (E_RNA) where: Base-Base interactions energy: -506.828 where: short stacking energy: -228.617 Base-Backbone interact. energy: -0.404 local terms energy: -271.169432 where: bonds (distance) C4'-P energy: -65.950 bonds (distance) P-C4' energy: -67.689 flat angles C4'-P-C4' energy: -75.773 flat angles P-C4'-P energy: -22.748 tors. eta vs tors. theta energy: -39.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -528.138530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.138530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.138530 (E_RNA) where: Base-Base interactions energy: -297.995 where: short stacking energy: -159.258 Base-Backbone interact. energy: 4.213 local terms energy: -234.356558 where: bonds (distance) C4'-P energy: -70.758 bonds (distance) P-C4' energy: -72.057 flat angles C4'-P-C4' energy: -39.641 flat angles P-C4'-P energy: -40.048 tors. eta vs tors. theta energy: -11.853 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: 1, replica: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1530.776918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.776918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.776918 (E_RNA) where: Base-Base interactions energy: -1087.014 where: short stacking energy: -424.295 Base-Backbone interact. energy: 1.497 local terms energy: -445.259717 where: bonds (distance) C4'-P energy: -85.965 bonds (distance) P-C4' energy: -82.100 flat angles C4'-P-C4' energy: -95.290 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -122.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1469.203032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.203032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.203032 (E_RNA) where: Base-Base interactions energy: -1047.737 where: short stacking energy: -428.606 Base-Backbone interact. energy: 1.294 local terms energy: -422.760567 where: bonds (distance) C4'-P energy: -82.487 bonds (distance) P-C4' energy: -82.689 flat angles C4'-P-C4' energy: -86.074 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -114.697 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: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1428.862263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.862263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.862263 (E_RNA) where: Base-Base interactions energy: -998.976 where: short stacking energy: -432.670 Base-Backbone interact. energy: -0.599 local terms energy: -429.287498 where: bonds (distance) C4'-P energy: -79.651 bonds (distance) P-C4' energy: -78.367 flat angles C4'-P-C4' energy: -88.630 flat angles P-C4'-P energy: -56.142 tors. eta vs tors. theta energy: -126.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1358.768076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.768076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.768076 (E_RNA) where: Base-Base interactions energy: -951.912 where: short stacking energy: -402.687 Base-Backbone interact. energy: -0.077 local terms energy: -406.778805 where: bonds (distance) C4'-P energy: -57.554 bonds (distance) P-C4' energy: -74.210 flat angles C4'-P-C4' energy: -85.847 flat angles P-C4'-P energy: -70.756 tors. eta vs tors. theta energy: -118.411 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: 277 Temperature: 1.100000 Total energy: -1309.534666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.534666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.534666 (E_RNA) where: Base-Base interactions energy: -912.861 where: short stacking energy: -394.833 Base-Backbone interact. energy: -2.325 local terms energy: -394.348014 where: bonds (distance) C4'-P energy: -67.272 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -95.603 flat angles P-C4'-P energy: -56.691 tors. eta vs tors. theta energy: -107.941 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: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1229.627703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.627703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.627703 (E_RNA) where: Base-Base interactions energy: -864.220 where: short stacking energy: -356.316 Base-Backbone interact. energy: -1.889 local terms energy: -363.518571 where: bonds (distance) C4'-P energy: -82.607 bonds (distance) P-C4' energy: -79.373 flat angles C4'-P-C4' energy: -78.766 flat angles P-C4'-P energy: -45.244 tors. eta vs tors. theta energy: -77.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1132.539286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.539286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.539286 (E_RNA) where: Base-Base interactions energy: -793.830 where: short stacking energy: -322.051 Base-Backbone interact. energy: 1.078 local terms energy: -339.787884 where: bonds (distance) C4'-P energy: -69.697 bonds (distance) P-C4' energy: -78.255 flat angles C4'-P-C4' energy: -78.593 flat angles P-C4'-P energy: -47.114 tors. eta vs tors. theta energy: -66.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1044.446844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.446844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.446844 (E_RNA) where: Base-Base interactions energy: -744.915 where: short stacking energy: -297.194 Base-Backbone interact. energy: -2.223 local terms energy: -297.308764 where: bonds (distance) C4'-P energy: -60.607 bonds (distance) P-C4' energy: -63.385 flat angles C4'-P-C4' energy: -70.291 flat angles P-C4'-P energy: -46.776 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: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -729.213045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.213045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.213045 (E_RNA) where: Base-Base interactions energy: -433.526 where: short stacking energy: -210.130 Base-Backbone interact. energy: 2.811 local terms energy: -298.497974 where: bonds (distance) C4'-P energy: -57.248 bonds (distance) P-C4' energy: -86.236 flat angles C4'-P-C4' energy: -76.178 flat angles P-C4'-P energy: -35.317 tors. eta vs tors. theta energy: -43.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -530.161184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.161184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.161184 (E_RNA) where: Base-Base interactions energy: -302.896 where: short stacking energy: -145.267 Base-Backbone interact. energy: 0.380 local terms energy: -227.645108 where: bonds (distance) C4'-P energy: -63.968 bonds (distance) P-C4' energy: -68.859 flat angles C4'-P-C4' energy: -52.932 flat angles P-C4'-P energy: -41.149 tors. eta vs tors. theta energy: -0.737 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: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1535.434107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.434107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.434107 (E_RNA) where: Base-Base interactions energy: -1091.181 where: short stacking energy: -444.235 Base-Backbone interact. energy: -0.917 local terms energy: -443.336093 where: bonds (distance) C4'-P energy: -89.454 bonds (distance) P-C4' energy: -75.492 flat angles C4'-P-C4' energy: -99.588 flat angles P-C4'-P energy: -57.868 tors. eta vs tors. theta energy: -120.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1487.070456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.070456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.070456 (E_RNA) where: Base-Base interactions energy: -1057.356 where: short stacking energy: -437.587 Base-Backbone interact. energy: -2.337 local terms energy: -427.377968 where: bonds (distance) C4'-P energy: -82.392 bonds (distance) P-C4' energy: -75.855 flat angles C4'-P-C4' energy: -92.850 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -113.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1435.145140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.145140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.145140 (E_RNA) where: Base-Base interactions energy: -983.724 where: short stacking energy: -420.936 Base-Backbone interact. energy: -0.106 local terms energy: -451.315568 where: bonds (distance) C4'-P energy: -75.473 bonds (distance) P-C4' energy: -95.703 flat angles C4'-P-C4' energy: -94.544 flat angles P-C4'-P energy: -56.778 tors. eta vs tors. theta energy: -128.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1373.660758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.660758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.660758 (E_RNA) where: Base-Base interactions energy: -955.060 where: short stacking energy: -398.152 Base-Backbone interact. energy: -2.417 local terms energy: -416.183762 where: bonds (distance) C4'-P energy: -87.073 bonds (distance) P-C4' energy: -81.855 flat angles C4'-P-C4' energy: -80.350 flat angles P-C4'-P energy: -52.789 tors. eta vs tors. theta energy: -114.116 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: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1295.709542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.709542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.709542 (E_RNA) where: Base-Base interactions energy: -891.258 where: short stacking energy: -387.762 Base-Backbone interact. energy: 0.424 local terms energy: -404.875109 where: bonds (distance) C4'-P energy: -78.029 bonds (distance) P-C4' energy: -65.220 flat angles C4'-P-C4' energy: -92.628 flat angles P-C4'-P energy: -61.321 tors. eta vs tors. theta energy: -107.677 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: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1241.179643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.179643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.179643 (E_RNA) where: Base-Base interactions energy: -835.370 where: short stacking energy: -341.317 Base-Backbone interact. energy: -2.249 local terms energy: -403.560676 where: bonds (distance) C4'-P energy: -82.855 bonds (distance) P-C4' energy: -80.120 flat angles C4'-P-C4' energy: -93.291 flat angles P-C4'-P energy: -56.579 tors. eta vs tors. theta energy: -90.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1170.792878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.792878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.792878 (E_RNA) where: Base-Base interactions energy: -814.013 where: short stacking energy: -331.643 Base-Backbone interact. energy: -3.443 local terms energy: -353.337270 where: bonds (distance) C4'-P energy: -72.861 bonds (distance) P-C4' energy: -82.865 flat angles C4'-P-C4' energy: -67.142 flat angles P-C4'-P energy: -51.504 tors. eta vs tors. theta energy: -78.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1041.109380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.109380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.109380 (E_RNA) where: Base-Base interactions energy: -705.136 where: short stacking energy: -285.321 Base-Backbone interact. energy: 4.117 local terms energy: -340.090097 where: bonds (distance) C4'-P energy: -74.653 bonds (distance) P-C4' energy: -69.765 flat angles C4'-P-C4' energy: -62.261 flat angles P-C4'-P energy: -57.822 tors. eta vs tors. theta energy: -75.589 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: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -760.096731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.096731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.096731 (E_RNA) where: Base-Base interactions energy: -450.965 where: short stacking energy: -236.883 Base-Backbone interact. energy: -1.925 local terms energy: -307.206082 where: bonds (distance) C4'-P energy: -61.662 bonds (distance) P-C4' energy: -86.415 flat angles C4'-P-C4' energy: -76.169 flat angles P-C4'-P energy: -38.872 tors. eta vs tors. theta energy: -44.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -532.572706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.572706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.572706 (E_RNA) where: Base-Base interactions energy: -292.409 where: short stacking energy: -153.268 Base-Backbone interact. energy: 1.036 local terms energy: -241.198846 where: bonds (distance) C4'-P energy: -65.690 bonds (distance) P-C4' energy: -84.041 flat angles C4'-P-C4' energy: -58.118 flat angles P-C4'-P energy: -23.848 tors. eta vs tors. theta energy: -9.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1539.803249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.803249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.803249 (E_RNA) where: Base-Base interactions energy: -1097.651 where: short stacking energy: -449.236 Base-Backbone interact. energy: -1.322 local terms energy: -440.830058 where: bonds (distance) C4'-P energy: -82.011 bonds (distance) P-C4' energy: -92.896 flat angles C4'-P-C4' energy: -90.547 flat angles P-C4'-P energy: -47.942 tors. eta vs tors. theta energy: -127.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1521.610829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.610829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.610829 (E_RNA) where: Base-Base interactions energy: -1085.980 where: short stacking energy: -435.230 Base-Backbone interact. energy: -0.975 local terms energy: -434.655866 where: bonds (distance) C4'-P energy: -77.817 bonds (distance) P-C4' energy: -78.225 flat angles C4'-P-C4' energy: -98.700 flat angles P-C4'-P energy: -55.980 tors. eta vs tors. theta energy: -123.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1432.402378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.402378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.402378 (E_RNA) where: Base-Base interactions energy: -1001.052 where: short stacking energy: -420.914 Base-Backbone interact. energy: -1.022 local terms energy: -430.329221 where: bonds (distance) C4'-P energy: -77.772 bonds (distance) P-C4' energy: -69.820 flat angles C4'-P-C4' energy: -100.227 flat angles P-C4'-P energy: -62.290 tors. eta vs tors. theta energy: -120.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1375.341441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.341441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.341441 (E_RNA) where: Base-Base interactions energy: -951.955 where: short stacking energy: -407.800 Base-Backbone interact. energy: -1.754 local terms energy: -421.632493 where: bonds (distance) C4'-P energy: -74.692 bonds (distance) P-C4' energy: -88.124 flat angles C4'-P-C4' energy: -87.364 flat angles P-C4'-P energy: -57.260 tors. eta vs tors. theta energy: -114.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1284.443348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.443348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.443348 (E_RNA) where: Base-Base interactions energy: -906.069 where: short stacking energy: -380.684 Base-Backbone interact. energy: 5.210 local terms energy: -383.584371 where: bonds (distance) C4'-P energy: -81.293 bonds (distance) P-C4' energy: -73.889 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -48.713 tors. eta vs tors. theta energy: -91.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1239.787621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.787621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.787621 (E_RNA) where: Base-Base interactions energy: -828.578 where: short stacking energy: -369.940 Base-Backbone interact. energy: 0.883 local terms energy: -412.092935 where: bonds (distance) C4'-P energy: -79.143 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -88.157 flat angles P-C4'-P energy: -57.697 tors. eta vs tors. theta energy: -101.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1185.600580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.600580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.600580 (E_RNA) where: Base-Base interactions energy: -822.424 where: short stacking energy: -336.472 Base-Backbone interact. energy: -0.199 local terms energy: -362.977895 where: bonds (distance) C4'-P energy: -62.276 bonds (distance) P-C4' energy: -73.745 flat angles C4'-P-C4' energy: -89.588 flat angles P-C4'-P energy: -55.663 tors. eta vs tors. theta energy: -81.707 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: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -999.369617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.369617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.369617 (E_RNA) where: Base-Base interactions energy: -673.056 where: short stacking energy: -269.876 Base-Backbone interact. energy: 3.093 local terms energy: -329.406994 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -71.441 flat angles C4'-P-C4' energy: -73.009 flat angles P-C4'-P energy: -45.307 tors. eta vs tors. theta energy: -66.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -683.977664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.977664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.977664 (E_RNA) where: Base-Base interactions energy: -426.878 where: short stacking energy: -185.591 Base-Backbone interact. energy: 5.792 local terms energy: -262.891921 where: bonds (distance) C4'-P energy: -74.298 bonds (distance) P-C4' energy: -70.332 flat angles C4'-P-C4' energy: -74.383 flat angles P-C4'-P energy: -25.944 tors. eta vs tors. theta energy: -17.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -513.966731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.966731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.966731 (E_RNA) where: Base-Base interactions energy: -280.752 where: short stacking energy: -146.292 Base-Backbone interact. energy: 0.138 local terms energy: -233.352889 where: bonds (distance) C4'-P energy: -62.460 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -67.760 flat angles P-C4'-P energy: -37.788 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1504.903789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.903789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.903789 (E_RNA) where: Base-Base interactions energy: -1090.676 where: short stacking energy: -439.722 Base-Backbone interact. energy: -1.450 local terms energy: -412.778646 where: bonds (distance) C4'-P energy: -78.758 bonds (distance) P-C4' energy: -81.625 flat angles C4'-P-C4' energy: -86.680 flat angles P-C4'-P energy: -50.280 tors. eta vs tors. theta energy: -115.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1509.618000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.618000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.618000 (E_RNA) where: Base-Base interactions energy: -1075.817 where: short stacking energy: -425.978 Base-Backbone interact. energy: -3.062 local terms energy: -430.738717 where: bonds (distance) C4'-P energy: -85.132 bonds (distance) P-C4' energy: -83.398 flat angles C4'-P-C4' energy: -89.813 flat angles P-C4'-P energy: -55.970 tors. eta vs tors. theta energy: -116.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1448.449091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.449091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.449091 (E_RNA) where: Base-Base interactions energy: -1007.968 where: short stacking energy: -435.787 Base-Backbone interact. energy: -1.344 local terms energy: -439.136672 where: bonds (distance) C4'-P energy: -76.412 bonds (distance) P-C4' energy: -88.506 flat angles C4'-P-C4' energy: -93.506 flat angles P-C4'-P energy: -61.951 tors. eta vs tors. theta energy: -118.762 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: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1365.062944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.062944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.062944 (E_RNA) where: Base-Base interactions energy: -949.583 where: short stacking energy: -413.195 Base-Backbone interact. energy: -3.185 local terms energy: -412.295808 where: bonds (distance) C4'-P energy: -83.950 bonds (distance) P-C4' energy: -75.745 flat angles C4'-P-C4' energy: -82.967 flat angles P-C4'-P energy: -54.777 tors. eta vs tors. theta energy: -114.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1262.511435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.511435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.511435 (E_RNA) where: Base-Base interactions energy: -878.194 where: short stacking energy: -369.720 Base-Backbone interact. energy: -0.124 local terms energy: -384.192961 where: bonds (distance) C4'-P energy: -84.212 bonds (distance) P-C4' energy: -70.036 flat angles C4'-P-C4' energy: -90.446 flat angles P-C4'-P energy: -47.543 tors. eta vs tors. theta energy: -91.956 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: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1268.501184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.501184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.501184 (E_RNA) where: Base-Base interactions energy: -892.486 where: short stacking energy: -377.843 Base-Backbone interact. energy: -0.675 local terms energy: -375.340026 where: bonds (distance) C4'-P energy: -78.174 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -69.001 flat angles P-C4'-P energy: -59.843 tors. eta vs tors. theta energy: -91.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1185.528875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.528875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.528875 (E_RNA) where: Base-Base interactions energy: -829.691 where: short stacking energy: -345.465 Base-Backbone interact. energy: -0.424 local terms energy: -355.414017 where: bonds (distance) C4'-P energy: -66.538 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -77.915 flat angles P-C4'-P energy: -52.388 tors. eta vs tors. theta energy: -87.782 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: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -965.983063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.983063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.983063 (E_RNA) where: Base-Base interactions energy: -635.187 where: short stacking energy: -257.475 Base-Backbone interact. energy: -0.907 local terms energy: -329.889346 where: bonds (distance) C4'-P energy: -71.127 bonds (distance) P-C4' energy: -69.222 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -53.818 tors. eta vs tors. theta energy: -66.950 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: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -774.179432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.179432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.179432 (E_RNA) where: Base-Base interactions energy: -488.069 where: short stacking energy: -237.281 Base-Backbone interact. energy: -1.370 local terms energy: -284.740134 where: bonds (distance) C4'-P energy: -48.363 bonds (distance) P-C4' energy: -67.578 flat angles C4'-P-C4' energy: -67.781 flat angles P-C4'-P energy: -46.700 tors. eta vs tors. theta energy: -54.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -528.970504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.970504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.970504 (E_RNA) where: Base-Base interactions energy: -297.670 where: short stacking energy: -155.140 Base-Backbone interact. energy: 4.739 local terms energy: -236.039695 where: bonds (distance) C4'-P energy: -61.506 bonds (distance) P-C4' energy: -79.479 flat angles C4'-P-C4' energy: -63.306 flat angles P-C4'-P energy: -30.582 tors. eta vs tors. theta energy: -1.166 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: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1510.911115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.911115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.911115 (E_RNA) where: Base-Base interactions energy: -1062.437 where: short stacking energy: -420.733 Base-Backbone interact. energy: 0.603 local terms energy: -449.077161 where: bonds (distance) C4'-P energy: -86.882 bonds (distance) P-C4' energy: -89.426 flat angles C4'-P-C4' energy: -94.233 flat angles P-C4'-P energy: -60.242 tors. eta vs tors. theta energy: -118.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1503.337427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.337427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.337427 (E_RNA) where: Base-Base interactions energy: -1073.559 where: short stacking energy: -424.338 Base-Backbone interact. energy: -1.487 local terms energy: -428.291708 where: bonds (distance) C4'-P energy: -78.634 bonds (distance) P-C4' energy: -76.342 flat angles C4'-P-C4' energy: -103.861 flat angles P-C4'-P energy: -60.882 tors. eta vs tors. theta energy: -108.573 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: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1424.948030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.948030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.948030 (E_RNA) where: Base-Base interactions energy: -978.886 where: short stacking energy: -427.123 Base-Backbone interact. energy: 1.865 local terms energy: -448.672972 where: bonds (distance) C4'-P energy: -83.133 bonds (distance) P-C4' energy: -85.509 flat angles C4'-P-C4' energy: -93.953 flat angles P-C4'-P energy: -63.947 tors. eta vs tors. theta energy: -122.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.745 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1359.826926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.826926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.826926 (E_RNA) where: Base-Base interactions energy: -942.882 where: short stacking energy: -436.601 Base-Backbone interact. energy: -2.308 local terms energy: -414.637196 where: bonds (distance) C4'-P energy: -78.015 bonds (distance) P-C4' energy: -84.921 flat angles C4'-P-C4' energy: -87.296 flat angles P-C4'-P energy: -50.585 tors. eta vs tors. theta energy: -113.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1247.093345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.093345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.093345 (E_RNA) where: Base-Base interactions energy: -868.246 where: short stacking energy: -350.882 Base-Backbone interact. energy: 2.514 local terms energy: -381.360718 where: bonds (distance) C4'-P energy: -81.147 bonds (distance) P-C4' energy: -77.860 flat angles C4'-P-C4' energy: -90.119 flat angles P-C4'-P energy: -46.402 tors. eta vs tors. theta energy: -85.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1183.542567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.542567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.542567 (E_RNA) where: Base-Base interactions energy: -807.001 where: short stacking energy: -337.807 Base-Backbone interact. energy: -2.476 local terms energy: -374.064692 where: bonds (distance) C4'-P energy: -69.145 bonds (distance) P-C4' energy: -90.916 flat angles C4'-P-C4' energy: -87.757 flat angles P-C4'-P energy: -45.489 tors. eta vs tors. theta energy: -80.758 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: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1219.949557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.949557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.949557 (E_RNA) where: Base-Base interactions energy: -855.096 where: short stacking energy: -355.763 Base-Backbone interact. energy: -2.050 local terms energy: -362.804175 where: bonds (distance) C4'-P energy: -73.455 bonds (distance) P-C4' energy: -60.363 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -59.111 tors. eta vs tors. theta energy: -89.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -955.858510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.858510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.858510 (E_RNA) where: Base-Base interactions energy: -630.931 where: short stacking energy: -283.736 Base-Backbone interact. energy: -1.013 local terms energy: -323.914887 where: bonds (distance) C4'-P energy: -62.697 bonds (distance) P-C4' energy: -75.916 flat angles C4'-P-C4' energy: -68.410 flat angles P-C4'-P energy: -48.163 tors. eta vs tors. theta energy: -68.729 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: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -788.358087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.358087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.358087 (E_RNA) where: Base-Base interactions energy: -484.130 where: short stacking energy: -233.963 Base-Backbone interact. energy: -1.854 local terms energy: -302.374730 where: bonds (distance) C4'-P energy: -58.535 bonds (distance) P-C4' energy: -62.598 flat angles C4'-P-C4' energy: -80.403 flat angles P-C4'-P energy: -61.873 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: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -524.791529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.791529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.791529 (E_RNA) where: Base-Base interactions energy: -265.936 where: short stacking energy: -134.296 Base-Backbone interact. energy: 0.503 local terms energy: -259.358979 where: bonds (distance) C4'-P energy: -64.119 bonds (distance) P-C4' energy: -67.160 flat angles C4'-P-C4' energy: -73.246 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: -12.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1535.288453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.288453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.288453 (E_RNA) where: Base-Base interactions energy: -1102.936 where: short stacking energy: -425.316 Base-Backbone interact. energy: -3.574 local terms energy: -428.778789 where: bonds (distance) C4'-P energy: -74.320 bonds (distance) P-C4' energy: -81.266 flat angles C4'-P-C4' energy: -89.090 flat angles P-C4'-P energy: -70.264 tors. eta vs tors. theta energy: -113.838 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: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1489.240949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.240949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.240949 (E_RNA) where: Base-Base interactions energy: -1039.186 where: short stacking energy: -429.859 Base-Backbone interact. energy: -2.283 local terms energy: -447.772065 where: bonds (distance) C4'-P energy: -83.428 bonds (distance) P-C4' energy: -86.670 flat angles C4'-P-C4' energy: -99.243 flat angles P-C4'-P energy: -58.027 tors. eta vs tors. theta energy: -120.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1367.108780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.108780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.108780 (E_RNA) where: Base-Base interactions energy: -932.739 where: short stacking energy: -397.965 Base-Backbone interact. energy: -3.076 local terms energy: -431.293872 where: bonds (distance) C4'-P energy: -77.030 bonds (distance) P-C4' energy: -78.403 flat angles C4'-P-C4' energy: -98.940 flat angles P-C4'-P energy: -62.770 tors. eta vs tors. theta energy: -114.151 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: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1395.656050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.656050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.656050 (E_RNA) where: Base-Base interactions energy: -987.569 where: short stacking energy: -417.952 Base-Backbone interact. energy: -2.049 local terms energy: -406.038522 where: bonds (distance) C4'-P energy: -62.853 bonds (distance) P-C4' energy: -70.671 flat angles C4'-P-C4' energy: -92.436 flat angles P-C4'-P energy: -60.214 tors. eta vs tors. theta energy: -119.864 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: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1237.451142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.451142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.451142 (E_RNA) where: Base-Base interactions energy: -871.178 where: short stacking energy: -380.782 Base-Backbone interact. energy: -1.217 local terms energy: -365.056552 where: bonds (distance) C4'-P energy: -63.645 bonds (distance) P-C4' energy: -69.595 flat angles C4'-P-C4' energy: -77.603 flat angles P-C4'-P energy: -59.457 tors. eta vs tors. theta energy: -94.757 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: 282 Temperature: 1.150000 Total energy: -1201.468902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.468902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.468902 (E_RNA) where: Base-Base interactions energy: -838.685 where: short stacking energy: -345.534 Base-Backbone interact. energy: -1.219 local terms energy: -361.564696 where: bonds (distance) C4'-P energy: -70.933 bonds (distance) P-C4' energy: -70.892 flat angles C4'-P-C4' energy: -84.774 flat angles P-C4'-P energy: -51.548 tors. eta vs tors. theta energy: -83.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1229.484298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.484298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.484298 (E_RNA) where: Base-Base interactions energy: -855.291 where: short stacking energy: -358.994 Base-Backbone interact. energy: 0.412 local terms energy: -374.604741 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -71.889 flat angles C4'-P-C4' energy: -84.696 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -94.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -966.462600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.462600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.462600 (E_RNA) where: Base-Base interactions energy: -636.284 where: short stacking energy: -268.498 Base-Backbone interact. energy: 1.117 local terms energy: -331.295397 where: bonds (distance) C4'-P energy: -67.315 bonds (distance) P-C4' energy: -73.855 flat angles C4'-P-C4' energy: -77.676 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -60.030 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: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -711.881535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.881535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.881535 (E_RNA) where: Base-Base interactions energy: -418.755 where: short stacking energy: -202.132 Base-Backbone interact. energy: -1.049 local terms energy: -292.077783 where: bonds (distance) C4'-P energy: -72.054 bonds (distance) P-C4' energy: -75.698 flat angles C4'-P-C4' energy: -69.139 flat angles P-C4'-P energy: -37.562 tors. eta vs tors. theta energy: -37.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -629.314941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.314941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.314941 (E_RNA) where: Base-Base interactions energy: -384.590 where: short stacking energy: -193.271 Base-Backbone interact. energy: 0.529 local terms energy: -245.254333 where: bonds (distance) C4'-P energy: -51.614 bonds (distance) P-C4' energy: -61.801 flat angles C4'-P-C4' energy: -58.988 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -25.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1522.868642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.868642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.868642 (E_RNA) where: Base-Base interactions energy: -1065.301 where: short stacking energy: -428.272 Base-Backbone interact. energy: -3.348 local terms energy: -454.219424 where: bonds (distance) C4'-P energy: -88.468 bonds (distance) P-C4' energy: -86.603 flat angles C4'-P-C4' energy: -99.981 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -121.071 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: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1527.190975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.190975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.190975 (E_RNA) where: Base-Base interactions energy: -1075.455 where: short stacking energy: -430.088 Base-Backbone interact. energy: -1.596 local terms energy: -450.139546 where: bonds (distance) C4'-P energy: -84.181 bonds (distance) P-C4' energy: -87.303 flat angles C4'-P-C4' energy: -95.023 flat angles P-C4'-P energy: -63.560 tors. eta vs tors. theta energy: -120.073 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: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1386.052064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.052064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.052064 (E_RNA) where: Base-Base interactions energy: -952.529 where: short stacking energy: -414.510 Base-Backbone interact. energy: -1.055 local terms energy: -432.468400 where: bonds (distance) C4'-P energy: -73.322 bonds (distance) P-C4' energy: -84.227 flat angles C4'-P-C4' energy: -100.089 flat angles P-C4'-P energy: -64.424 tors. eta vs tors. theta energy: -110.407 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: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1378.611979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.611979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.611979 (E_RNA) where: Base-Base interactions energy: -970.377 where: short stacking energy: -382.188 Base-Backbone interact. energy: -1.300 local terms energy: -406.934977 where: bonds (distance) C4'-P energy: -82.280 bonds (distance) P-C4' energy: -78.310 flat angles C4'-P-C4' energy: -85.656 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -101.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1273.838997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.838997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.838997 (E_RNA) where: Base-Base interactions energy: -904.907 where: short stacking energy: -367.421 Base-Backbone interact. energy: -2.191 local terms energy: -366.741571 where: bonds (distance) C4'-P energy: -62.696 bonds (distance) P-C4' energy: -74.543 flat angles C4'-P-C4' energy: -93.002 flat angles P-C4'-P energy: -53.229 tors. eta vs tors. theta energy: -83.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1247.536319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.536319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.536319 (E_RNA) where: Base-Base interactions energy: -867.724 where: short stacking energy: -354.081 Base-Backbone interact. energy: -1.155 local terms energy: -378.656858 where: bonds (distance) C4'-P energy: -73.251 bonds (distance) P-C4' energy: -83.163 flat angles C4'-P-C4' energy: -88.143 flat angles P-C4'-P energy: -45.433 tors. eta vs tors. theta energy: -88.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1156.111852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.111852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.111852 (E_RNA) where: Base-Base interactions energy: -798.750 where: short stacking energy: -334.436 Base-Backbone interact. energy: -0.299 local terms energy: -357.063151 where: bonds (distance) C4'-P energy: -74.313 bonds (distance) P-C4' energy: -70.378 flat angles C4'-P-C4' energy: -80.590 flat angles P-C4'-P energy: -52.707 tors. eta vs tors. theta energy: -79.075 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: 283 Temperature: 1.250000 Total energy: -982.288171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.288171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.288171 (E_RNA) where: Base-Base interactions energy: -671.337 where: short stacking energy: -286.985 Base-Backbone interact. energy: -3.512 local terms energy: -307.439231 where: bonds (distance) C4'-P energy: -67.161 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -55.925 flat angles P-C4'-P energy: -45.574 tors. eta vs tors. theta energy: -65.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -717.729599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.729599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.729599 (E_RNA) where: Base-Base interactions energy: -459.433 where: short stacking energy: -222.777 Base-Backbone interact. energy: 4.089 local terms energy: -262.385283 where: bonds (distance) C4'-P energy: -58.795 bonds (distance) P-C4' energy: -66.969 flat angles C4'-P-C4' energy: -53.018 flat angles P-C4'-P energy: -39.392 tors. eta vs tors. theta energy: -44.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -658.288037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.288037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.288037 (E_RNA) where: Base-Base interactions energy: -379.316 where: short stacking energy: -185.005 Base-Backbone interact. energy: 0.631 local terms energy: -279.603187 where: bonds (distance) C4'-P energy: -64.549 bonds (distance) P-C4' energy: -69.165 flat angles C4'-P-C4' energy: -90.345 flat angles P-C4'-P energy: -35.237 tors. eta vs tors. theta energy: -20.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1531.325400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.325400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.325400 (E_RNA) where: Base-Base interactions energy: -1086.829 where: short stacking energy: -435.126 Base-Backbone interact. energy: -2.389 local terms energy: -442.107666 where: bonds (distance) C4'-P energy: -79.873 bonds (distance) P-C4' energy: -81.472 flat angles C4'-P-C4' energy: -105.827 flat angles P-C4'-P energy: -57.738 tors. eta vs tors. theta energy: -117.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1491.297682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.297682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.297682 (E_RNA) where: Base-Base interactions energy: -1075.161 where: short stacking energy: -439.836 Base-Backbone interact. energy: -1.335 local terms energy: -414.800804 where: bonds (distance) C4'-P energy: -81.265 bonds (distance) P-C4' energy: -73.139 flat angles C4'-P-C4' energy: -91.766 flat angles P-C4'-P energy: -57.708 tors. eta vs tors. theta energy: -110.922 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: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1373.033898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.033898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.033898 (E_RNA) where: Base-Base interactions energy: -944.055 where: short stacking energy: -406.341 Base-Backbone interact. energy: -1.219 local terms energy: -427.759289 where: bonds (distance) C4'-P energy: -86.630 bonds (distance) P-C4' energy: -74.254 flat angles C4'-P-C4' energy: -92.352 flat angles P-C4'-P energy: -53.700 tors. eta vs tors. theta energy: -120.824 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: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1402.521068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.521068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.521068 (E_RNA) where: Base-Base interactions energy: -985.524 where: short stacking energy: -399.534 Base-Backbone interact. energy: -0.007 local terms energy: -416.990123 where: bonds (distance) C4'-P energy: -72.736 bonds (distance) P-C4' energy: -85.703 flat angles C4'-P-C4' energy: -93.296 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -119.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1255.178838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.178838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.178838 (E_RNA) where: Base-Base interactions energy: -842.917 where: short stacking energy: -357.387 Base-Backbone interact. energy: -2.359 local terms energy: -409.902365 where: bonds (distance) C4'-P energy: -81.266 bonds (distance) P-C4' energy: -75.201 flat angles C4'-P-C4' energy: -92.637 flat angles P-C4'-P energy: -57.934 tors. eta vs tors. theta energy: -102.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1219.277250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.277250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.277250 (E_RNA) where: Base-Base interactions energy: -838.727 where: short stacking energy: -339.389 Base-Backbone interact. energy: -3.724 local terms energy: -376.825331 where: bonds (distance) C4'-P energy: -77.088 bonds (distance) P-C4' energy: -77.567 flat angles C4'-P-C4' energy: -78.461 flat angles P-C4'-P energy: -53.779 tors. eta vs tors. theta energy: -89.930 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: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1179.761368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.761368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.761368 (E_RNA) where: Base-Base interactions energy: -795.968 where: short stacking energy: -308.685 Base-Backbone interact. energy: -1.553 local terms energy: -382.240825 where: bonds (distance) C4'-P energy: -67.853 bonds (distance) P-C4' energy: -86.921 flat angles C4'-P-C4' energy: -82.880 flat angles P-C4'-P energy: -56.442 tors. eta vs tors. theta energy: -88.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -966.156058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.156058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.156058 (E_RNA) where: Base-Base interactions energy: -628.764 where: short stacking energy: -277.347 Base-Backbone interact. energy: -0.264 local terms energy: -337.128910 where: bonds (distance) C4'-P energy: -77.699 bonds (distance) P-C4' energy: -64.556 flat angles C4'-P-C4' energy: -72.158 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -68.482 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: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -766.786885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.786885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.786885 (E_RNA) where: Base-Base interactions energy: -469.846 where: short stacking energy: -208.391 Base-Backbone interact. energy: -1.429 local terms energy: -295.512018 where: bonds (distance) C4'-P energy: -53.910 bonds (distance) P-C4' energy: -73.404 flat angles C4'-P-C4' energy: -71.419 flat angles P-C4'-P energy: -52.988 tors. eta vs tors. theta energy: -43.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -605.766141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.766141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.766141 (E_RNA) where: Base-Base interactions energy: -340.407 where: short stacking energy: -170.971 Base-Backbone interact. energy: -2.017 local terms energy: -263.341986 where: bonds (distance) C4'-P energy: -64.723 bonds (distance) P-C4' energy: -72.806 flat angles C4'-P-C4' energy: -68.369 flat angles P-C4'-P energy: -45.263 tors. eta vs tors. theta energy: -12.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1553.324791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.324791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.324791 (E_RNA) where: Base-Base interactions energy: -1104.596 where: short stacking energy: -441.177 Base-Backbone interact. energy: -3.446 local terms energy: -445.282681 where: bonds (distance) C4'-P energy: -84.088 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -96.929 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -119.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1478.219579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.219579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.219579 (E_RNA) where: Base-Base interactions energy: -1064.307 where: short stacking energy: -439.036 Base-Backbone interact. energy: -0.404 local terms energy: -413.508604 where: bonds (distance) C4'-P energy: -73.829 bonds (distance) P-C4' energy: -74.925 flat angles C4'-P-C4' energy: -90.666 flat angles P-C4'-P energy: -60.324 tors. eta vs tors. theta energy: -113.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1385.021785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.021785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.021785 (E_RNA) where: Base-Base interactions energy: -957.688 where: short stacking energy: -422.087 Base-Backbone interact. energy: -1.607 local terms energy: -425.727299 where: bonds (distance) C4'-P energy: -69.837 bonds (distance) P-C4' energy: -87.424 flat angles C4'-P-C4' energy: -89.857 flat angles P-C4'-P energy: -59.071 tors. eta vs tors. theta energy: -119.537 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: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1414.703708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.703708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.703708 (E_RNA) where: Base-Base interactions energy: -999.221 where: short stacking energy: -405.117 Base-Backbone interact. energy: -1.438 local terms energy: -414.044470 where: bonds (distance) C4'-P energy: -79.377 bonds (distance) P-C4' energy: -67.248 flat angles C4'-P-C4' energy: -91.577 flat angles P-C4'-P energy: -58.968 tors. eta vs tors. theta energy: -116.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1250.900470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.900470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.900470 (E_RNA) where: Base-Base interactions energy: -872.251 where: short stacking energy: -365.496 Base-Backbone interact. energy: -1.543 local terms energy: -377.106027 where: bonds (distance) C4'-P energy: -82.255 bonds (distance) P-C4' energy: -65.127 flat angles C4'-P-C4' energy: -82.734 flat angles P-C4'-P energy: -56.710 tors. eta vs tors. theta energy: -90.280 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: 3 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1196.732450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.732450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.732450 (E_RNA) where: Base-Base interactions energy: -826.816 where: short stacking energy: -366.120 Base-Backbone interact. energy: -2.560 local terms energy: -367.356342 where: bonds (distance) C4'-P energy: -77.057 bonds (distance) P-C4' energy: -68.046 flat angles C4'-P-C4' energy: -84.860 flat angles P-C4'-P energy: -53.094 tors. eta vs tors. theta energy: -84.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1164.648728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.648728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.648728 (E_RNA) where: Base-Base interactions energy: -804.980 where: short stacking energy: -349.355 Base-Backbone interact. energy: 0.570 local terms energy: -360.238930 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -62.959 flat angles C4'-P-C4' energy: -83.204 flat angles P-C4'-P energy: -65.394 tors. eta vs tors. theta energy: -87.557 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: 285 Temperature: 1.250000 Total energy: -968.193526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.193526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.193526 (E_RNA) where: Base-Base interactions energy: -659.961 where: short stacking energy: -287.612 Base-Backbone interact. energy: 10.198 local terms energy: -318.429982 where: bonds (distance) C4'-P energy: -68.700 bonds (distance) P-C4' energy: -74.747 flat angles C4'-P-C4' energy: -77.419 flat angles P-C4'-P energy: -42.536 tors. eta vs tors. theta energy: -55.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -854.804375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.804375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.804375 (E_RNA) where: Base-Base interactions energy: -529.417 where: short stacking energy: -265.235 Base-Backbone interact. energy: 2.510 local terms energy: -327.896795 where: bonds (distance) C4'-P energy: -61.751 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -83.679 flat angles P-C4'-P energy: -51.241 tors. eta vs tors. theta energy: -62.224 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -592.469927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.469927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.469927 (E_RNA) where: Base-Base interactions energy: -337.786 where: short stacking energy: -163.141 Base-Backbone interact. energy: -0.494 local terms energy: -254.190113 where: bonds (distance) C4'-P energy: -75.484 bonds (distance) P-C4' energy: -75.876 flat angles C4'-P-C4' energy: -57.788 flat angles P-C4'-P energy: -40.462 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: 1, replica: 7 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1539.124191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.124191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.124191 (E_RNA) where: Base-Base interactions energy: -1084.043 where: short stacking energy: -439.879 Base-Backbone interact. energy: -0.767 local terms energy: -454.313904 where: bonds (distance) C4'-P energy: -86.287 bonds (distance) P-C4' energy: -84.106 flat angles C4'-P-C4' energy: -96.478 flat angles P-C4'-P energy: -61.155 tors. eta vs tors. theta energy: -126.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1455.729626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.729626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.729626 (E_RNA) where: Base-Base interactions energy: -1033.184 where: short stacking energy: -427.286 Base-Backbone interact. energy: 1.444 local terms energy: -423.989611 where: bonds (distance) C4'-P energy: -72.814 bonds (distance) P-C4' energy: -81.423 flat angles C4'-P-C4' energy: -95.775 flat angles P-C4'-P energy: -57.457 tors. eta vs tors. theta energy: -116.521 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: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1391.802460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.802460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.802460 (E_RNA) where: Base-Base interactions energy: -972.460 where: short stacking energy: -430.938 Base-Backbone interact. energy: -1.328 local terms energy: -418.014783 where: bonds (distance) C4'-P energy: -73.013 bonds (distance) P-C4' energy: -88.229 flat angles C4'-P-C4' energy: -92.048 flat angles P-C4'-P energy: -53.096 tors. eta vs tors. theta energy: -111.628 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: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1387.549244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.549244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.549244 (E_RNA) where: Base-Base interactions energy: -947.349 where: short stacking energy: -402.249 Base-Backbone interact. energy: -1.543 local terms energy: -438.656518 where: bonds (distance) C4'-P energy: -80.591 bonds (distance) P-C4' energy: -89.851 flat angles C4'-P-C4' energy: -89.671 flat angles P-C4'-P energy: -68.251 tors. eta vs tors. theta energy: -110.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1277.084762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.084762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.084762 (E_RNA) where: Base-Base interactions energy: -878.357 where: short stacking energy: -382.002 Base-Backbone interact. energy: 2.874 local terms energy: -401.602078 where: bonds (distance) C4'-P energy: -72.097 bonds (distance) P-C4' energy: -88.675 flat angles C4'-P-C4' energy: -82.382 flat angles P-C4'-P energy: -61.857 tors. eta vs tors. theta energy: -96.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1193.624898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.624898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.624898 (E_RNA) where: Base-Base interactions energy: -818.732 where: short stacking energy: -331.588 Base-Backbone interact. energy: -1.718 local terms energy: -373.174493 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -84.537 flat angles C4'-P-C4' energy: -81.571 flat angles P-C4'-P energy: -47.330 tors. eta vs tors. theta energy: -86.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1134.929319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.929319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.929319 (E_RNA) where: Base-Base interactions energy: -786.812 where: short stacking energy: -330.393 Base-Backbone interact. energy: -1.166 local terms energy: -346.951792 where: bonds (distance) C4'-P energy: -66.829 bonds (distance) P-C4' energy: -77.512 flat angles C4'-P-C4' energy: -77.281 flat angles P-C4'-P energy: -40.518 tors. eta vs tors. theta energy: -84.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -990.513895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.513895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.513895 (E_RNA) where: Base-Base interactions energy: -688.558 where: short stacking energy: -288.010 Base-Backbone interact. energy: -2.972 local terms energy: -298.983635 where: bonds (distance) C4'-P energy: -76.919 bonds (distance) P-C4' energy: -63.245 flat angles C4'-P-C4' energy: -71.966 flat angles P-C4'-P energy: -28.059 tors. eta vs tors. theta energy: -58.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -824.021318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.021318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.021318 (E_RNA) where: Base-Base interactions energy: -515.072 where: short stacking energy: -246.958 Base-Backbone interact. energy: 3.214 local terms energy: -312.163607 where: bonds (distance) C4'-P energy: -67.370 bonds (distance) P-C4' energy: -65.840 flat angles C4'-P-C4' energy: -85.816 flat angles P-C4'-P energy: -44.286 tors. eta vs tors. theta energy: -48.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -513.495450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.495450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.495450 (E_RNA) where: Base-Base interactions energy: -268.467 where: short stacking energy: -151.772 Base-Backbone interact. energy: 0.642 local terms energy: -245.671072 where: bonds (distance) C4'-P energy: -60.242 bonds (distance) P-C4' energy: -61.714 flat angles C4'-P-C4' energy: -55.316 flat angles P-C4'-P energy: -51.544 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1540.712286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.712286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.712286 (E_RNA) where: Base-Base interactions energy: -1100.429 where: short stacking energy: -413.516 Base-Backbone interact. energy: 0.689 local terms energy: -440.971550 where: bonds (distance) C4'-P energy: -84.253 bonds (distance) P-C4' energy: -83.326 flat angles C4'-P-C4' energy: -92.317 flat angles P-C4'-P energy: -60.814 tors. eta vs tors. theta energy: -120.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1502.030915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.030915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.030915 (E_RNA) where: Base-Base interactions energy: -1080.466 where: short stacking energy: -425.341 Base-Backbone interact. energy: -0.371 local terms energy: -421.194256 where: bonds (distance) C4'-P energy: -75.649 bonds (distance) P-C4' energy: -84.365 flat angles C4'-P-C4' energy: -89.936 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: -113.013 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: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1396.865504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.865504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.865504 (E_RNA) where: Base-Base interactions energy: -978.893 where: short stacking energy: -428.434 Base-Backbone interact. energy: -0.264 local terms energy: -417.708698 where: bonds (distance) C4'-P energy: -81.343 bonds (distance) P-C4' energy: -70.816 flat angles C4'-P-C4' energy: -92.728 flat angles P-C4'-P energy: -57.107 tors. eta vs tors. theta energy: -115.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1372.595553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.595553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.595553 (E_RNA) where: Base-Base interactions energy: -971.392 where: short stacking energy: -394.547 Base-Backbone interact. energy: -1.505 local terms energy: -399.699412 where: bonds (distance) C4'-P energy: -72.949 bonds (distance) P-C4' energy: -91.607 flat angles C4'-P-C4' energy: -72.133 flat angles P-C4'-P energy: -58.555 tors. eta vs tors. theta energy: -104.455 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: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1252.800647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.800647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.800647 (E_RNA) where: Base-Base interactions energy: -874.717 where: short stacking energy: -359.826 Base-Backbone interact. energy: -2.484 local terms energy: -376.778198 where: bonds (distance) C4'-P energy: -66.079 bonds (distance) P-C4' energy: -81.976 flat angles C4'-P-C4' energy: -83.346 flat angles P-C4'-P energy: -55.107 tors. eta vs tors. theta energy: -90.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.178 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1142.557690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.557690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.557690 (E_RNA) where: Base-Base interactions energy: -779.636 where: short stacking energy: -340.326 Base-Backbone interact. energy: -1.842 local terms energy: -361.079632 where: bonds (distance) C4'-P energy: -67.720 bonds (distance) P-C4' energy: -66.765 flat angles C4'-P-C4' energy: -82.549 flat angles P-C4'-P energy: -50.800 tors. eta vs tors. theta energy: -93.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1195.212356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.212356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.212356 (E_RNA) where: Base-Base interactions energy: -842.214 where: short stacking energy: -343.112 Base-Backbone interact. energy: -2.233 local terms energy: -350.764857 where: bonds (distance) C4'-P energy: -65.788 bonds (distance) P-C4' energy: -68.151 flat angles C4'-P-C4' energy: -77.114 flat angles P-C4'-P energy: -56.577 tors. eta vs tors. theta energy: -83.135 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: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1028.359471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.359471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.359471 (E_RNA) where: Base-Base interactions energy: -696.462 where: short stacking energy: -305.267 Base-Backbone interact. energy: 4.874 local terms energy: -336.771344 where: bonds (distance) C4'-P energy: -75.414 bonds (distance) P-C4' energy: -70.764 flat angles C4'-P-C4' energy: -79.641 flat angles P-C4'-P energy: -37.275 tors. eta vs tors. theta energy: -73.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -810.932719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.932719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.932719 (E_RNA) where: Base-Base interactions energy: -534.317 where: short stacking energy: -263.108 Base-Backbone interact. energy: -0.502 local terms energy: -276.113253 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -55.837 flat angles C4'-P-C4' energy: -74.701 flat angles P-C4'-P energy: -41.485 tors. eta vs tors. theta energy: -42.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -564.812978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.812978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.812978 (E_RNA) where: Base-Base interactions energy: -312.868 where: short stacking energy: -174.877 Base-Backbone interact. energy: -1.192 local terms energy: -250.753117 where: bonds (distance) C4'-P energy: -37.932 bonds (distance) P-C4' energy: -75.934 flat angles C4'-P-C4' energy: -64.261 flat angles P-C4'-P energy: -52.721 tors. eta vs tors. theta energy: -19.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1544.998751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.998751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.998751 (E_RNA) where: Base-Base interactions energy: -1108.899 where: short stacking energy: -417.275 Base-Backbone interact. energy: -2.001 local terms energy: -434.098422 where: bonds (distance) C4'-P energy: -82.228 bonds (distance) P-C4' energy: -92.103 flat angles C4'-P-C4' energy: -91.824 flat angles P-C4'-P energy: -52.761 tors. eta vs tors. theta energy: -115.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1468.065012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.065012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.065012 (E_RNA) where: Base-Base interactions energy: -1036.086 where: short stacking energy: -417.608 Base-Backbone interact. energy: -1.731 local terms energy: -430.248060 where: bonds (distance) C4'-P energy: -83.382 bonds (distance) P-C4' energy: -79.266 flat angles C4'-P-C4' energy: -95.693 flat angles P-C4'-P energy: -51.131 tors. eta vs tors. theta energy: -120.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1436.893998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.893998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.893998 (E_RNA) where: Base-Base interactions energy: -1007.509 where: short stacking energy: -411.066 Base-Backbone interact. energy: -1.126 local terms energy: -428.259143 where: bonds (distance) C4'-P energy: -80.148 bonds (distance) P-C4' energy: -84.918 flat angles C4'-P-C4' energy: -89.601 flat angles P-C4'-P energy: -65.187 tors. eta vs tors. theta energy: -108.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1395.563792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.563792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.563792 (E_RNA) where: Base-Base interactions energy: -967.895 where: short stacking energy: -418.782 Base-Backbone interact. energy: 2.356 local terms energy: -430.024336 where: bonds (distance) C4'-P energy: -81.688 bonds (distance) P-C4' energy: -81.911 flat angles C4'-P-C4' energy: -95.373 flat angles P-C4'-P energy: -51.829 tors. eta vs tors. theta energy: -119.223 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: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1278.593431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.593431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.593431 (E_RNA) where: Base-Base interactions energy: -899.102 where: short stacking energy: -391.239 Base-Backbone interact. energy: -0.319 local terms energy: -379.171836 where: bonds (distance) C4'-P energy: -75.896 bonds (distance) P-C4' energy: -61.337 flat angles C4'-P-C4' energy: -88.257 flat angles P-C4'-P energy: -54.647 tors. eta vs tors. theta energy: -99.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1146.032886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.032886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.032886 (E_RNA) where: Base-Base interactions energy: -767.959 where: short stacking energy: -334.663 Base-Backbone interact. energy: -1.288 local terms energy: -376.785992 where: bonds (distance) C4'-P energy: -87.168 bonds (distance) P-C4' energy: -77.992 flat angles C4'-P-C4' energy: -84.908 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -82.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1192.406996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.406996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.406996 (E_RNA) where: Base-Base interactions energy: -849.210 where: short stacking energy: -343.721 Base-Backbone interact. energy: 2.178 local terms energy: -345.374572 where: bonds (distance) C4'-P energy: -61.209 bonds (distance) P-C4' energy: -72.326 flat angles C4'-P-C4' energy: -72.669 flat angles P-C4'-P energy: -52.518 tors. eta vs tors. theta energy: -86.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -994.178359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.178359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.178359 (E_RNA) where: Base-Base interactions energy: -667.758 where: short stacking energy: -277.392 Base-Backbone interact. energy: -1.185 local terms energy: -325.235223 where: bonds (distance) C4'-P energy: -66.376 bonds (distance) P-C4' energy: -75.618 flat angles C4'-P-C4' energy: -80.464 flat angles P-C4'-P energy: -44.794 tors. eta vs tors. theta energy: -57.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -887.615985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.615985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.615985 (E_RNA) where: Base-Base interactions energy: -556.134 where: short stacking energy: -269.307 Base-Backbone interact. energy: -0.910 local terms energy: -330.571428 where: bonds (distance) C4'-P energy: -64.646 bonds (distance) P-C4' energy: -77.448 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -55.734 tors. eta vs tors. theta energy: -64.027 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: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -595.537240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.537240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.537240 (E_RNA) where: Base-Base interactions energy: -334.873 where: short stacking energy: -163.024 Base-Backbone interact. energy: -1.677 local terms energy: -258.987297 where: bonds (distance) C4'-P energy: -64.579 bonds (distance) P-C4' energy: -69.247 flat angles C4'-P-C4' energy: -79.523 flat angles P-C4'-P energy: -33.605 tors. eta vs tors. theta energy: -12.033 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: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1567.492070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.492070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.492070 (E_RNA) where: Base-Base interactions energy: -1103.632 where: short stacking energy: -417.686 Base-Backbone interact. energy: -2.692 local terms energy: -461.168353 where: bonds (distance) C4'-P energy: -99.390 bonds (distance) P-C4' energy: -89.508 flat angles C4'-P-C4' energy: -94.789 flat angles P-C4'-P energy: -60.777 tors. eta vs tors. theta energy: -116.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1503.551561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.551561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.551561 (E_RNA) where: Base-Base interactions energy: -1071.140 where: short stacking energy: -426.469 Base-Backbone interact. energy: -2.661 local terms energy: -429.750375 where: bonds (distance) C4'-P energy: -80.750 bonds (distance) P-C4' energy: -76.017 flat angles C4'-P-C4' energy: -91.853 flat angles P-C4'-P energy: -61.251 tors. eta vs tors. theta energy: -119.879 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: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1429.058375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.058375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.058375 (E_RNA) where: Base-Base interactions energy: -986.445 where: short stacking energy: -423.777 Base-Backbone interact. energy: -0.370 local terms energy: -442.243098 where: bonds (distance) C4'-P energy: -84.843 bonds (distance) P-C4' energy: -79.292 flat angles C4'-P-C4' energy: -94.288 flat angles P-C4'-P energy: -62.387 tors. eta vs tors. theta energy: -121.433 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: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1364.044897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.044897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.044897 (E_RNA) where: Base-Base interactions energy: -947.480 where: short stacking energy: -408.089 Base-Backbone interact. energy: -1.352 local terms energy: -415.212430 where: bonds (distance) C4'-P energy: -67.044 bonds (distance) P-C4' energy: -83.613 flat angles C4'-P-C4' energy: -88.269 flat angles P-C4'-P energy: -61.204 tors. eta vs tors. theta energy: -115.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1291.009365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.009365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.009365 (E_RNA) where: Base-Base interactions energy: -884.521 where: short stacking energy: -394.163 Base-Backbone interact. energy: -1.192 local terms energy: -405.295986 where: bonds (distance) C4'-P energy: -77.472 bonds (distance) P-C4' energy: -82.595 flat angles C4'-P-C4' energy: -81.966 flat angles P-C4'-P energy: -63.681 tors. eta vs tors. theta energy: -99.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1162.930444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.930444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.930444 (E_RNA) where: Base-Base interactions energy: -780.443 where: short stacking energy: -318.727 Base-Backbone interact. energy: -2.800 local terms energy: -379.687395 where: bonds (distance) C4'-P energy: -74.282 bonds (distance) P-C4' energy: -82.231 flat angles C4'-P-C4' energy: -87.048 flat angles P-C4'-P energy: -61.066 tors. eta vs tors. theta energy: -75.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1119.806750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.806750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.806750 (E_RNA) where: Base-Base interactions energy: -761.091 where: short stacking energy: -305.241 Base-Backbone interact. energy: -2.227 local terms energy: -356.488295 where: bonds (distance) C4'-P energy: -65.049 bonds (distance) P-C4' energy: -78.773 flat angles C4'-P-C4' energy: -86.947 flat angles P-C4'-P energy: -46.907 tors. eta vs tors. theta energy: -78.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -998.353850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.353850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.353850 (E_RNA) where: Base-Base interactions energy: -660.990 where: short stacking energy: -270.416 Base-Backbone interact. energy: 1.852 local terms energy: -339.216468 where: bonds (distance) C4'-P energy: -67.871 bonds (distance) P-C4' energy: -68.654 flat angles C4'-P-C4' energy: -81.179 flat angles P-C4'-P energy: -50.028 tors. eta vs tors. theta energy: -71.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -849.389167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.389167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.389167 (E_RNA) where: Base-Base interactions energy: -545.382 where: short stacking energy: -244.443 Base-Backbone interact. energy: 0.973 local terms energy: -305.085410 where: bonds (distance) C4'-P energy: -74.407 bonds (distance) P-C4' energy: -76.249 flat angles C4'-P-C4' energy: -69.301 flat angles P-C4'-P energy: -39.913 tors. eta vs tors. theta energy: -45.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -572.110788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.110788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.110788 (E_RNA) where: Base-Base interactions energy: -306.319 where: short stacking energy: -153.835 Base-Backbone interact. energy: -1.852 local terms energy: -263.939888 where: bonds (distance) C4'-P energy: -74.731 bonds (distance) P-C4' energy: -89.309 flat angles C4'-P-C4' energy: -60.934 flat angles P-C4'-P energy: -34.738 tors. eta vs tors. theta energy: -4.228 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: 7 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1561.770556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.770556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.770556 (E_RNA) where: Base-Base interactions energy: -1107.684 where: short stacking energy: -429.718 Base-Backbone interact. energy: 1.974 local terms energy: -456.060094 where: bonds (distance) C4'-P energy: -94.148 bonds (distance) P-C4' energy: -82.045 flat angles C4'-P-C4' energy: -102.576 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -127.009 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: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1484.444257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.444257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.444257 (E_RNA) where: Base-Base interactions energy: -1045.601 where: short stacking energy: -420.141 Base-Backbone interact. energy: -0.091 local terms energy: -438.751779 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -90.668 flat angles C4'-P-C4' energy: -93.198 flat angles P-C4'-P energy: -56.229 tors. eta vs tors. theta energy: -121.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1434.190989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.190989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.190989 (E_RNA) where: Base-Base interactions energy: -1009.440 where: short stacking energy: -424.153 Base-Backbone interact. energy: -0.532 local terms energy: -424.219450 where: bonds (distance) C4'-P energy: -80.891 bonds (distance) P-C4' energy: -74.735 flat angles C4'-P-C4' energy: -92.956 flat angles P-C4'-P energy: -58.751 tors. eta vs tors. theta energy: -116.887 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: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1335.189148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.189148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.189148 (E_RNA) where: Base-Base interactions energy: -927.130 where: short stacking energy: -388.072 Base-Backbone interact. energy: -2.892 local terms energy: -405.167690 where: bonds (distance) C4'-P energy: -69.937 bonds (distance) P-C4' energy: -71.272 flat angles C4'-P-C4' energy: -96.229 flat angles P-C4'-P energy: -61.606 tors. eta vs tors. theta energy: -106.125 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: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1245.961455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.961455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.961455 (E_RNA) where: Base-Base interactions energy: -846.258 where: short stacking energy: -368.341 Base-Backbone interact. energy: -0.682 local terms energy: -399.021501 where: bonds (distance) C4'-P energy: -75.774 bonds (distance) P-C4' energy: -81.184 flat angles C4'-P-C4' energy: -85.999 flat angles P-C4'-P energy: -59.645 tors. eta vs tors. theta energy: -96.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1160.642178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.642178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.642178 (E_RNA) where: Base-Base interactions energy: -807.867 where: short stacking energy: -323.675 Base-Backbone interact. energy: -1.668 local terms energy: -351.106605 where: bonds (distance) C4'-P energy: -69.975 bonds (distance) P-C4' energy: -57.965 flat angles C4'-P-C4' energy: -92.812 flat angles P-C4'-P energy: -48.662 tors. eta vs tors. theta energy: -81.692 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: 290 Temperature: 1.200000 Total energy: -1134.885794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.885794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.885794 (E_RNA) where: Base-Base interactions energy: -806.391 where: short stacking energy: -326.805 Base-Backbone interact. energy: 4.448 local terms energy: -332.942832 where: bonds (distance) C4'-P energy: -65.955 bonds (distance) P-C4' energy: -67.601 flat angles C4'-P-C4' energy: -79.625 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: -78.571 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: 290 Temperature: 1.250000 Total energy: -1001.034694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.034694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.034694 (E_RNA) where: Base-Base interactions energy: -670.733 where: short stacking energy: -300.259 Base-Backbone interact. energy: -0.935 local terms energy: -329.367106 where: bonds (distance) C4'-P energy: -68.764 bonds (distance) P-C4' energy: -85.006 flat angles C4'-P-C4' energy: -72.367 flat angles P-C4'-P energy: -45.908 tors. eta vs tors. theta energy: -57.322 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: 9, replica: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -870.619868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.619868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.619868 (E_RNA) where: Base-Base interactions energy: -590.812 where: short stacking energy: -271.622 Base-Backbone interact. energy: 1.238 local terms energy: -281.045533 where: bonds (distance) C4'-P energy: -54.682 bonds (distance) P-C4' energy: -58.312 flat angles C4'-P-C4' energy: -75.039 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -49.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -576.624511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.624511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.624511 (E_RNA) where: Base-Base interactions energy: -314.001 where: short stacking energy: -185.506 Base-Backbone interact. energy: -1.314 local terms energy: -261.309396 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -77.689 flat angles C4'-P-C4' energy: -60.975 flat angles P-C4'-P energy: -35.055 tors. eta vs tors. theta energy: -25.095 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: 291 Temperature: 0.900000 Total energy: -1551.700522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.700522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.700522 (E_RNA) where: Base-Base interactions energy: -1127.601 where: short stacking energy: -429.319 Base-Backbone interact. energy: -0.211 local terms energy: -423.887944 where: bonds (distance) C4'-P energy: -82.345 bonds (distance) P-C4' energy: -85.931 flat angles C4'-P-C4' energy: -88.889 flat angles P-C4'-P energy: -52.736 tors. eta vs tors. theta energy: -113.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1502.387174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.387174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.387174 (E_RNA) where: Base-Base interactions energy: -1040.658 where: short stacking energy: -430.448 Base-Backbone interact. energy: -2.414 local terms energy: -459.315188 where: bonds (distance) C4'-P energy: -91.862 bonds (distance) P-C4' energy: -83.842 flat angles C4'-P-C4' energy: -101.485 flat angles P-C4'-P energy: -57.384 tors. eta vs tors. theta energy: -124.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1445.681963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.681963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.681963 (E_RNA) where: Base-Base interactions energy: -1009.764 where: short stacking energy: -413.694 Base-Backbone interact. energy: -1.291 local terms energy: -434.626872 where: bonds (distance) C4'-P energy: -77.378 bonds (distance) P-C4' energy: -85.059 flat angles C4'-P-C4' energy: -96.292 flat angles P-C4'-P energy: -57.861 tors. eta vs tors. theta energy: -118.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1375.710551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.710551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.710551 (E_RNA) where: Base-Base interactions energy: -942.437 where: short stacking energy: -389.876 Base-Backbone interact. energy: -4.619 local terms energy: -428.654095 where: bonds (distance) C4'-P energy: -81.511 bonds (distance) P-C4' energy: -88.698 flat angles C4'-P-C4' energy: -94.326 flat angles P-C4'-P energy: -59.847 tors. eta vs tors. theta energy: -104.271 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: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1276.021612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.021612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.021612 (E_RNA) where: Base-Base interactions energy: -903.595 where: short stacking energy: -377.498 Base-Backbone interact. energy: 0.078 local terms energy: -372.505134 where: bonds (distance) C4'-P energy: -65.003 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -89.098 flat angles P-C4'-P energy: -54.850 tors. eta vs tors. theta energy: -83.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1206.681926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.681926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.681926 (E_RNA) where: Base-Base interactions energy: -836.594 where: short stacking energy: -361.244 Base-Backbone interact. energy: -1.087 local terms energy: -369.001126 where: bonds (distance) C4'-P energy: -63.976 bonds (distance) P-C4' energy: -73.121 flat angles C4'-P-C4' energy: -84.060 flat angles P-C4'-P energy: -51.820 tors. eta vs tors. theta energy: -96.023 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: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1210.408288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.408288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.408288 (E_RNA) where: Base-Base interactions energy: -851.733 where: short stacking energy: -358.779 Base-Backbone interact. energy: 1.555 local terms energy: -360.230381 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -77.544 flat angles C4'-P-C4' energy: -86.565 flat angles P-C4'-P energy: -53.444 tors. eta vs tors. theta energy: -79.360 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: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -962.832767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.832767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.832767 (E_RNA) where: Base-Base interactions energy: -649.763 where: short stacking energy: -259.263 Base-Backbone interact. energy: -1.467 local terms energy: -311.602726 where: bonds (distance) C4'-P energy: -55.253 bonds (distance) P-C4' energy: -71.028 flat angles C4'-P-C4' energy: -83.758 flat angles P-C4'-P energy: -39.328 tors. eta vs tors. theta energy: -62.236 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: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -922.335947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.335947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.335947 (E_RNA) where: Base-Base interactions energy: -611.773 where: short stacking energy: -282.573 Base-Backbone interact. energy: 2.572 local terms energy: -313.134993 where: bonds (distance) C4'-P energy: -69.055 bonds (distance) P-C4' energy: -66.234 flat angles C4'-P-C4' energy: -65.684 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -70.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -567.454157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.454157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.454157 (E_RNA) where: Base-Base interactions energy: -332.512 where: short stacking energy: -191.003 Base-Backbone interact. energy: -0.766 local terms energy: -234.175591 where: bonds (distance) C4'-P energy: -67.059 bonds (distance) P-C4' energy: -73.296 flat angles C4'-P-C4' energy: -48.785 flat angles P-C4'-P energy: -25.591 tors. eta vs tors. theta energy: -19.445 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: 1, replica: 7 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1569.534511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.534511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.534511 (E_RNA) where: Base-Base interactions energy: -1119.088 where: short stacking energy: -428.169 Base-Backbone interact. energy: -1.641 local terms energy: -448.805400 where: bonds (distance) C4'-P energy: -91.241 bonds (distance) P-C4' energy: -88.837 flat angles C4'-P-C4' energy: -98.920 flat angles P-C4'-P energy: -55.218 tors. eta vs tors. theta energy: -114.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1510.485199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.485199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.485199 (E_RNA) where: Base-Base interactions energy: -1080.059 where: short stacking energy: -431.456 Base-Backbone interact. energy: -2.285 local terms energy: -428.140629 where: bonds (distance) C4'-P energy: -85.883 bonds (distance) P-C4' energy: -82.360 flat angles C4'-P-C4' energy: -82.645 flat angles P-C4'-P energy: -54.933 tors. eta vs tors. theta energy: -122.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1411.210801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.210801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.210801 (E_RNA) where: Base-Base interactions energy: -1000.712 where: short stacking energy: -431.146 Base-Backbone interact. energy: 1.173 local terms energy: -411.671711 where: bonds (distance) C4'-P energy: -67.289 bonds (distance) P-C4' energy: -79.164 flat angles C4'-P-C4' energy: -81.852 flat angles P-C4'-P energy: -65.064 tors. eta vs tors. theta energy: -118.303 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: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1339.241087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.241087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.241087 (E_RNA) where: Base-Base interactions energy: -930.217 where: short stacking energy: -391.469 Base-Backbone interact. energy: -1.958 local terms energy: -407.065367 where: bonds (distance) C4'-P energy: -78.003 bonds (distance) P-C4' energy: -77.121 flat angles C4'-P-C4' energy: -89.841 flat angles P-C4'-P energy: -57.148 tors. eta vs tors. theta energy: -104.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1281.152191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.152191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.152191 (E_RNA) where: Base-Base interactions energy: -876.899 where: short stacking energy: -384.703 Base-Backbone interact. energy: -1.210 local terms energy: -403.043770 where: bonds (distance) C4'-P energy: -76.535 bonds (distance) P-C4' energy: -71.432 flat angles C4'-P-C4' energy: -88.429 flat angles P-C4'-P energy: -63.083 tors. eta vs tors. theta energy: -103.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1157.538952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.538952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.538952 (E_RNA) where: Base-Base interactions energy: -791.251 where: short stacking energy: -356.315 Base-Backbone interact. energy: 1.476 local terms energy: -367.763984 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -80.649 flat angles C4'-P-C4' energy: -82.108 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: -85.219 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: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1183.152149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.152149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.152149 (E_RNA) where: Base-Base interactions energy: -807.581 where: short stacking energy: -344.932 Base-Backbone interact. energy: -2.296 local terms energy: -373.275519 where: bonds (distance) C4'-P energy: -78.969 bonds (distance) P-C4' energy: -65.642 flat angles C4'-P-C4' energy: -82.052 flat angles P-C4'-P energy: -53.570 tors. eta vs tors. theta energy: -93.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -924.837569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.837569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.837569 (E_RNA) where: Base-Base interactions energy: -592.227 where: short stacking energy: -271.337 Base-Backbone interact. energy: 2.093 local terms energy: -334.703587 where: bonds (distance) C4'-P energy: -63.635 bonds (distance) P-C4' energy: -71.524 flat angles C4'-P-C4' energy: -85.249 flat angles P-C4'-P energy: -52.950 tors. eta vs tors. theta energy: -61.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -939.767628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.767628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.767628 (E_RNA) where: Base-Base interactions energy: -606.383 where: short stacking energy: -282.954 Base-Backbone interact. energy: -1.471 local terms energy: -331.913350 where: bonds (distance) C4'-P energy: -82.923 bonds (distance) P-C4' energy: -76.664 flat angles C4'-P-C4' energy: -64.468 flat angles P-C4'-P energy: -39.281 tors. eta vs tors. theta energy: -68.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -614.701140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.701140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.701140 (E_RNA) where: Base-Base interactions energy: -337.390 where: short stacking energy: -182.198 Base-Backbone interact. energy: 5.487 local terms energy: -282.797439 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -80.421 flat angles C4'-P-C4' energy: -69.582 flat angles P-C4'-P energy: -38.239 tors. eta vs tors. theta energy: -29.517 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: 1, replica: 7 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1562.905348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.905348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.905348 (E_RNA) where: Base-Base interactions energy: -1117.622 where: short stacking energy: -434.207 Base-Backbone interact. energy: -0.729 local terms energy: -444.554923 where: bonds (distance) C4'-P energy: -88.775 bonds (distance) P-C4' energy: -85.459 flat angles C4'-P-C4' energy: -95.963 flat angles P-C4'-P energy: -64.499 tors. eta vs tors. theta energy: -109.858 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: 2, replica: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1476.907822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.907822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.907822 (E_RNA) where: Base-Base interactions energy: -1053.675 where: short stacking energy: -433.138 Base-Backbone interact. energy: -2.909 local terms energy: -420.323726 where: bonds (distance) C4'-P energy: -71.130 bonds (distance) P-C4' energy: -77.235 flat angles C4'-P-C4' energy: -92.055 flat angles P-C4'-P energy: -63.926 tors. eta vs tors. theta energy: -115.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1408.732944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.732944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.732944 (E_RNA) where: Base-Base interactions energy: -977.453 where: short stacking energy: -415.872 Base-Backbone interact. energy: -0.993 local terms energy: -430.287495 where: bonds (distance) C4'-P energy: -87.696 bonds (distance) P-C4' energy: -78.858 flat angles C4'-P-C4' energy: -78.186 flat angles P-C4'-P energy: -68.302 tors. eta vs tors. theta energy: -117.245 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: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1386.401549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.401549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.401549 (E_RNA) where: Base-Base interactions energy: -967.948 where: short stacking energy: -410.549 Base-Backbone interact. energy: 2.915 local terms energy: -421.368745 where: bonds (distance) C4'-P energy: -89.632 bonds (distance) P-C4' energy: -82.440 flat angles C4'-P-C4' energy: -83.478 flat angles P-C4'-P energy: -57.238 tors. eta vs tors. theta energy: -108.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1289.934558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.934558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.934558 (E_RNA) where: Base-Base interactions energy: -890.099 where: short stacking energy: -375.612 Base-Backbone interact. energy: 2.175 local terms energy: -402.010552 where: bonds (distance) C4'-P energy: -68.761 bonds (distance) P-C4' energy: -82.504 flat angles C4'-P-C4' energy: -91.959 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -95.156 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: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1182.004761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.004761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.004761 (E_RNA) where: Base-Base interactions energy: -816.097 where: short stacking energy: -376.361 Base-Backbone interact. energy: -1.371 local terms energy: -364.536678 where: bonds (distance) C4'-P energy: -57.395 bonds (distance) P-C4' energy: -67.605 flat angles C4'-P-C4' energy: -88.849 flat angles P-C4'-P energy: -55.974 tors. eta vs tors. theta energy: -94.714 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: 7, replica: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1171.607023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.607023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.607023 (E_RNA) where: Base-Base interactions energy: -803.558 where: short stacking energy: -340.958 Base-Backbone interact. energy: -0.986 local terms energy: -367.063530 where: bonds (distance) C4'-P energy: -79.983 bonds (distance) P-C4' energy: -79.317 flat angles C4'-P-C4' energy: -73.213 flat angles P-C4'-P energy: -46.315 tors. eta vs tors. theta energy: -88.235 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: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -911.672965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.672965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.672965 (E_RNA) where: Base-Base interactions energy: -583.173 where: short stacking energy: -270.985 Base-Backbone interact. energy: 0.190 local terms energy: -328.689329 where: bonds (distance) C4'-P energy: -70.386 bonds (distance) P-C4' energy: -77.043 flat angles C4'-P-C4' energy: -75.774 flat angles P-C4'-P energy: -38.767 tors. eta vs tors. theta energy: -66.719 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: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -837.427581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.427581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.427581 (E_RNA) where: Base-Base interactions energy: -553.162 where: short stacking energy: -240.437 Base-Backbone interact. energy: 2.630 local terms energy: -286.894894 where: bonds (distance) C4'-P energy: -64.062 bonds (distance) P-C4' energy: -67.459 flat angles C4'-P-C4' energy: -70.688 flat angles P-C4'-P energy: -46.346 tors. eta vs tors. theta energy: -38.340 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: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -534.245289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.245289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.245289 (E_RNA) where: Base-Base interactions energy: -266.733 where: short stacking energy: -134.246 Base-Backbone interact. energy: -0.846 local terms energy: -266.666193 where: bonds (distance) C4'-P energy: -69.282 bonds (distance) P-C4' energy: -69.530 flat angles C4'-P-C4' energy: -72.297 flat angles P-C4'-P energy: -42.767 tors. eta vs tors. theta energy: -12.790 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: 7 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1557.196995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.196995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.196995 (E_RNA) where: Base-Base interactions energy: -1126.304 where: short stacking energy: -447.895 Base-Backbone interact. energy: -2.270 local terms energy: -428.623307 where: bonds (distance) C4'-P energy: -79.657 bonds (distance) P-C4' energy: -80.542 flat angles C4'-P-C4' energy: -96.903 flat angles P-C4'-P energy: -61.067 tors. eta vs tors. theta energy: -110.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1477.022149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.022149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.022149 (E_RNA) where: Base-Base interactions energy: -1051.053 where: short stacking energy: -432.208 Base-Backbone interact. energy: -3.796 local terms energy: -422.173705 where: bonds (distance) C4'-P energy: -77.460 bonds (distance) P-C4' energy: -84.971 flat angles C4'-P-C4' energy: -97.755 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -110.090 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: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1430.727302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.727302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.727302 (E_RNA) where: Base-Base interactions energy: -990.190 where: short stacking energy: -416.820 Base-Backbone interact. energy: 0.442 local terms energy: -440.979760 where: bonds (distance) C4'-P energy: -88.894 bonds (distance) P-C4' energy: -85.321 flat angles C4'-P-C4' energy: -85.090 flat angles P-C4'-P energy: -62.775 tors. eta vs tors. theta energy: -118.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1370.096736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.096736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.096736 (E_RNA) where: Base-Base interactions energy: -952.723 where: short stacking energy: -397.753 Base-Backbone interact. energy: -2.716 local terms energy: -414.657529 where: bonds (distance) C4'-P energy: -69.549 bonds (distance) P-C4' energy: -85.080 flat angles C4'-P-C4' energy: -93.499 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -104.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1259.502035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.502035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.502035 (E_RNA) where: Base-Base interactions energy: -862.204 where: short stacking energy: -357.217 Base-Backbone interact. energy: -0.937 local terms energy: -396.361485 where: bonds (distance) C4'-P energy: -82.763 bonds (distance) P-C4' energy: -86.884 flat angles C4'-P-C4' energy: -81.360 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: -87.654 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: 8 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1217.769503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.769503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.769503 (E_RNA) where: Base-Base interactions energy: -860.264 where: short stacking energy: -361.276 Base-Backbone interact. energy: -0.972 local terms energy: -357.011918 where: bonds (distance) C4'-P energy: -61.849 bonds (distance) P-C4' energy: -64.652 flat angles C4'-P-C4' energy: -90.875 flat angles P-C4'-P energy: -52.111 tors. eta vs tors. theta energy: -87.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.478 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1207.475380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.475380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.475380 (E_RNA) where: Base-Base interactions energy: -855.590 where: short stacking energy: -362.607 Base-Backbone interact. energy: -2.212 local terms energy: -349.673562 where: bonds (distance) C4'-P energy: -70.565 bonds (distance) P-C4' energy: -75.302 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -53.164 tors. eta vs tors. theta energy: -86.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -954.319492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.319492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.319492 (E_RNA) where: Base-Base interactions energy: -605.294 where: short stacking energy: -286.414 Base-Backbone interact. energy: -2.678 local terms energy: -346.347343 where: bonds (distance) C4'-P energy: -66.567 bonds (distance) P-C4' energy: -86.442 flat angles C4'-P-C4' energy: -84.161 flat angles P-C4'-P energy: -48.408 tors. eta vs tors. theta energy: -60.769 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: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -805.856603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.856603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.856603 (E_RNA) where: Base-Base interactions energy: -506.435 where: short stacking energy: -234.927 Base-Backbone interact. energy: -0.884 local terms energy: -298.537742 where: bonds (distance) C4'-P energy: -63.220 bonds (distance) P-C4' energy: -78.183 flat angles C4'-P-C4' energy: -63.651 flat angles P-C4'-P energy: -54.998 tors. eta vs tors. theta energy: -38.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -541.350080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.350080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.350080 (E_RNA) where: Base-Base interactions energy: -300.337 where: short stacking energy: -162.188 Base-Backbone interact. energy: 1.320 local terms energy: -242.332744 where: bonds (distance) C4'-P energy: -66.672 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -61.838 flat angles P-C4'-P energy: -20.782 tors. eta vs tors. theta energy: -14.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1537.907002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.907002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.907002 (E_RNA) where: Base-Base interactions energy: -1101.043 where: short stacking energy: -421.579 Base-Backbone interact. energy: -1.984 local terms energy: -434.879763 where: bonds (distance) C4'-P energy: -81.972 bonds (distance) P-C4' energy: -87.746 flat angles C4'-P-C4' energy: -92.634 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: -117.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1485.945712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.945712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.945712 (E_RNA) where: Base-Base interactions energy: -1036.743 where: short stacking energy: -428.928 Base-Backbone interact. energy: -2.413 local terms energy: -446.789071 where: bonds (distance) C4'-P energy: -82.585 bonds (distance) P-C4' energy: -88.418 flat angles C4'-P-C4' energy: -89.528 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -122.734 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: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1415.720602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.720602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.720602 (E_RNA) where: Base-Base interactions energy: -978.840 where: short stacking energy: -421.371 Base-Backbone interact. energy: -1.418 local terms energy: -435.462726 where: bonds (distance) C4'-P energy: -83.836 bonds (distance) P-C4' energy: -82.321 flat angles C4'-P-C4' energy: -95.510 flat angles P-C4'-P energy: -57.757 tors. eta vs tors. theta energy: -116.038 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: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1348.127430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.127430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.127430 (E_RNA) where: Base-Base interactions energy: -948.086 where: short stacking energy: -410.546 Base-Backbone interact. energy: -1.774 local terms energy: -398.267153 where: bonds (distance) C4'-P energy: -66.571 bonds (distance) P-C4' energy: -73.499 flat angles C4'-P-C4' energy: -97.056 flat angles P-C4'-P energy: -56.996 tors. eta vs tors. theta energy: -104.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1222.043475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.043475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.043475 (E_RNA) where: Base-Base interactions energy: -857.600 where: short stacking energy: -363.573 Base-Backbone interact. energy: -1.515 local terms energy: -362.928588 where: bonds (distance) C4'-P energy: -68.512 bonds (distance) P-C4' energy: -83.419 flat angles C4'-P-C4' energy: -72.546 flat angles P-C4'-P energy: -49.204 tors. eta vs tors. theta energy: -89.248 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: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1234.399613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.399613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.399613 (E_RNA) where: Base-Base interactions energy: -852.823 where: short stacking energy: -382.715 Base-Backbone interact. energy: -0.988 local terms energy: -380.588759 where: bonds (distance) C4'-P energy: -67.100 bonds (distance) P-C4' energy: -76.426 flat angles C4'-P-C4' energy: -85.900 flat angles P-C4'-P energy: -50.592 tors. eta vs tors. theta energy: -100.572 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: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1149.091081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.091081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.091081 (E_RNA) where: Base-Base interactions energy: -786.016 where: short stacking energy: -310.015 Base-Backbone interact. energy: -2.630 local terms energy: -360.445533 where: bonds (distance) C4'-P energy: -69.616 bonds (distance) P-C4' energy: -76.363 flat angles C4'-P-C4' energy: -83.527 flat angles P-C4'-P energy: -52.441 tors. eta vs tors. theta energy: -78.498 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: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -976.717808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.717808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.717808 (E_RNA) where: Base-Base interactions energy: -654.177 where: short stacking energy: -306.655 Base-Backbone interact. energy: -0.211 local terms energy: -322.329819 where: bonds (distance) C4'-P energy: -55.374 bonds (distance) P-C4' energy: -82.067 flat angles C4'-P-C4' energy: -73.127 flat angles P-C4'-P energy: -48.875 tors. eta vs tors. theta energy: -62.887 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: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -796.136547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.136547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.136547 (E_RNA) where: Base-Base interactions energy: -522.636 where: short stacking energy: -233.528 Base-Backbone interact. energy: -0.363 local terms energy: -273.137362 where: bonds (distance) C4'-P energy: -70.488 bonds (distance) P-C4' energy: -81.350 flat angles C4'-P-C4' energy: -64.818 flat angles P-C4'-P energy: -29.000 tors. eta vs tors. theta energy: -27.480 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: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -498.325436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.325436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.325436 (E_RNA) where: Base-Base interactions energy: -260.158 where: short stacking energy: -122.247 Base-Backbone interact. energy: -0.241 local terms energy: -237.927299 where: bonds (distance) C4'-P energy: -70.233 bonds (distance) P-C4' energy: -84.677 flat angles C4'-P-C4' energy: -61.818 flat angles P-C4'-P energy: -30.783 tors. eta vs tors. theta energy: 9.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1517.706292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.706292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.706292 (E_RNA) where: Base-Base interactions energy: -1057.231 where: short stacking energy: -428.136 Base-Backbone interact. energy: -2.935 local terms energy: -457.540523 where: bonds (distance) C4'-P energy: -84.364 bonds (distance) P-C4' energy: -90.743 flat angles C4'-P-C4' energy: -95.060 flat angles P-C4'-P energy: -66.659 tors. eta vs tors. theta energy: -120.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1508.589507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.589507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.589507 (E_RNA) where: Base-Base interactions energy: -1091.826 where: short stacking energy: -403.525 Base-Backbone interact. energy: -0.878 local terms energy: -415.884974 where: bonds (distance) C4'-P energy: -77.809 bonds (distance) P-C4' energy: -84.665 flat angles C4'-P-C4' energy: -95.029 flat angles P-C4'-P energy: -57.831 tors. eta vs tors. theta energy: -100.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1433.067660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.067660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.067660 (E_RNA) where: Base-Base interactions energy: -977.937 where: short stacking energy: -437.319 Base-Backbone interact. energy: -2.602 local terms energy: -452.528624 where: bonds (distance) C4'-P energy: -84.614 bonds (distance) P-C4' energy: -77.520 flat angles C4'-P-C4' energy: -94.305 flat angles P-C4'-P energy: -67.155 tors. eta vs tors. theta energy: -128.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1386.451005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.451005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.451005 (E_RNA) where: Base-Base interactions energy: -973.709 where: short stacking energy: -421.695 Base-Backbone interact. energy: 0.077 local terms energy: -412.818862 where: bonds (distance) C4'-P energy: -73.386 bonds (distance) P-C4' energy: -76.467 flat angles C4'-P-C4' energy: -90.724 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -125.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1197.599062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.599062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.599062 (E_RNA) where: Base-Base interactions energy: -829.860 where: short stacking energy: -338.269 Base-Backbone interact. energy: 0.121 local terms energy: -367.859563 where: bonds (distance) C4'-P energy: -75.027 bonds (distance) P-C4' energy: -83.208 flat angles C4'-P-C4' energy: -78.328 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -78.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1204.369424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.369424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.369424 (E_RNA) where: Base-Base interactions energy: -850.116 where: short stacking energy: -373.542 Base-Backbone interact. energy: -1.315 local terms energy: -352.937790 where: bonds (distance) C4'-P energy: -75.716 bonds (distance) P-C4' energy: -61.627 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -41.471 tors. eta vs tors. theta energy: -88.035 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: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1061.293871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.293871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.293871 (E_RNA) where: Base-Base interactions energy: -706.226 where: short stacking energy: -294.287 Base-Backbone interact. energy: -0.220 local terms energy: -354.848408 where: bonds (distance) C4'-P energy: -73.384 bonds (distance) P-C4' energy: -78.223 flat angles C4'-P-C4' energy: -81.930 flat angles P-C4'-P energy: -51.344 tors. eta vs tors. theta energy: -69.967 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: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -984.252628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.252628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.252628 (E_RNA) where: Base-Base interactions energy: -647.274 where: short stacking energy: -302.007 Base-Backbone interact. energy: -1.928 local terms energy: -335.050477 where: bonds (distance) C4'-P energy: -77.275 bonds (distance) P-C4' energy: -65.519 flat angles C4'-P-C4' energy: -81.153 flat angles P-C4'-P energy: -45.458 tors. eta vs tors. theta energy: -65.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -795.473067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.473067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.473067 (E_RNA) where: Base-Base interactions energy: -509.642 where: short stacking energy: -212.397 Base-Backbone interact. energy: 0.044 local terms energy: -285.875502 where: bonds (distance) C4'-P energy: -65.254 bonds (distance) P-C4' energy: -80.749 flat angles C4'-P-C4' energy: -47.821 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -45.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -536.083091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.083091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.083091 (E_RNA) where: Base-Base interactions energy: -301.633 where: short stacking energy: -174.406 Base-Backbone interact. energy: -0.170 local terms energy: -234.280410 where: bonds (distance) C4'-P energy: -71.724 bonds (distance) P-C4' energy: -53.945 flat angles C4'-P-C4' energy: -50.285 flat angles P-C4'-P energy: -39.301 tors. eta vs tors. theta energy: -19.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1523.827513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.827513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.827513 (E_RNA) where: Base-Base interactions energy: -1071.167 where: short stacking energy: -445.773 Base-Backbone interact. energy: -1.893 local terms energy: -450.767467 where: bonds (distance) C4'-P energy: -73.875 bonds (distance) P-C4' energy: -84.999 flat angles C4'-P-C4' energy: -100.853 flat angles P-C4'-P energy: -66.469 tors. eta vs tors. theta energy: -124.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1490.247883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.247883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.247883 (E_RNA) where: Base-Base interactions energy: -1046.516 where: short stacking energy: -399.838 Base-Backbone interact. energy: -2.105 local terms energy: -441.626577 where: bonds (distance) C4'-P energy: -79.238 bonds (distance) P-C4' energy: -85.137 flat angles C4'-P-C4' energy: -98.503 flat angles P-C4'-P energy: -64.179 tors. eta vs tors. theta energy: -114.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1452.012299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.012299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.012299 (E_RNA) where: Base-Base interactions energy: -1004.352 where: short stacking energy: -437.289 Base-Backbone interact. energy: -1.318 local terms energy: -446.342851 where: bonds (distance) C4'-P energy: -79.886 bonds (distance) P-C4' energy: -81.930 flat angles C4'-P-C4' energy: -97.227 flat angles P-C4'-P energy: -59.731 tors. eta vs tors. theta energy: -127.570 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: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1394.463825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.463825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.463825 (E_RNA) where: Base-Base interactions energy: -962.426 where: short stacking energy: -406.346 Base-Backbone interact. energy: 0.230 local terms energy: -432.267792 where: bonds (distance) C4'-P energy: -90.271 bonds (distance) P-C4' energy: -78.124 flat angles C4'-P-C4' energy: -91.065 flat angles P-C4'-P energy: -62.288 tors. eta vs tors. theta energy: -110.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1207.363557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.363557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.363557 (E_RNA) where: Base-Base interactions energy: -814.954 where: short stacking energy: -360.834 Base-Backbone interact. energy: -2.945 local terms energy: -389.464818 where: bonds (distance) C4'-P energy: -76.239 bonds (distance) P-C4' energy: -75.313 flat angles C4'-P-C4' energy: -88.731 flat angles P-C4'-P energy: -54.799 tors. eta vs tors. theta energy: -94.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1188.341565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.341565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.341565 (E_RNA) where: Base-Base interactions energy: -826.904 where: short stacking energy: -369.347 Base-Backbone interact. energy: -0.130 local terms energy: -365.027851 where: bonds (distance) C4'-P energy: -73.163 bonds (distance) P-C4' energy: -72.849 flat angles C4'-P-C4' energy: -81.524 flat angles P-C4'-P energy: -46.160 tors. eta vs tors. theta energy: -91.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.720 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1091.273527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.273527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.273527 (E_RNA) where: Base-Base interactions energy: -738.621 where: short stacking energy: -299.723 Base-Backbone interact. energy: -0.166 local terms energy: -352.486851 where: bonds (distance) C4'-P energy: -77.288 bonds (distance) P-C4' energy: -67.655 flat angles C4'-P-C4' energy: -82.389 flat angles P-C4'-P energy: -57.762 tors. eta vs tors. theta energy: -67.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1018.529030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.529030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.529030 (E_RNA) where: Base-Base interactions energy: -687.505 where: short stacking energy: -301.105 Base-Backbone interact. energy: 1.039 local terms energy: -332.062724 where: bonds (distance) C4'-P energy: -79.881 bonds (distance) P-C4' energy: -64.336 flat angles C4'-P-C4' energy: -78.868 flat angles P-C4'-P energy: -39.826 tors. eta vs tors. theta energy: -69.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -807.375289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.375289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.375289 (E_RNA) where: Base-Base interactions energy: -513.727 where: short stacking energy: -243.162 Base-Backbone interact. energy: -3.257 local terms energy: -290.391155 where: bonds (distance) C4'-P energy: -75.630 bonds (distance) P-C4' energy: -69.487 flat angles C4'-P-C4' energy: -80.207 flat angles P-C4'-P energy: -33.581 tors. eta vs tors. theta energy: -31.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -530.656411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.656411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.656411 (E_RNA) where: Base-Base interactions energy: -283.638 where: short stacking energy: -161.412 Base-Backbone interact. energy: 2.323 local terms energy: -249.342310 where: bonds (distance) C4'-P energy: -60.816 bonds (distance) P-C4' energy: -68.384 flat angles C4'-P-C4' energy: -53.739 flat angles P-C4'-P energy: -50.435 tors. eta vs tors. theta energy: -15.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1550.927586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.927586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.927586 (E_RNA) where: Base-Base interactions energy: -1086.169 where: short stacking energy: -431.889 Base-Backbone interact. energy: -3.227 local terms energy: -461.531143 where: bonds (distance) C4'-P energy: -93.053 bonds (distance) P-C4' energy: -89.489 flat angles C4'-P-C4' energy: -87.413 flat angles P-C4'-P energy: -73.711 tors. eta vs tors. theta energy: -117.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1504.705519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.705519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.705519 (E_RNA) where: Base-Base interactions energy: -1081.160 where: short stacking energy: -442.814 Base-Backbone interact. energy: -0.900 local terms energy: -422.644754 where: bonds (distance) C4'-P energy: -72.611 bonds (distance) P-C4' energy: -82.431 flat angles C4'-P-C4' energy: -88.273 flat angles P-C4'-P energy: -62.985 tors. eta vs tors. theta energy: -116.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1425.557776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.557776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.557776 (E_RNA) where: Base-Base interactions energy: -1008.728 where: short stacking energy: -434.762 Base-Backbone interact. energy: -1.162 local terms energy: -415.667789 where: bonds (distance) C4'-P energy: -80.780 bonds (distance) P-C4' energy: -77.407 flat angles C4'-P-C4' energy: -79.584 flat angles P-C4'-P energy: -49.105 tors. eta vs tors. theta energy: -128.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1357.765322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.765322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.765322 (E_RNA) where: Base-Base interactions energy: -948.566 where: short stacking energy: -398.596 Base-Backbone interact. energy: -0.754 local terms energy: -408.445125 where: bonds (distance) C4'-P energy: -66.840 bonds (distance) P-C4' energy: -80.607 flat angles C4'-P-C4' energy: -87.737 flat angles P-C4'-P energy: -57.264 tors. eta vs tors. theta energy: -115.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1223.173892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.173892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.173892 (E_RNA) where: Base-Base interactions energy: -848.471 where: short stacking energy: -368.496 Base-Backbone interact. energy: 0.440 local terms energy: -375.143107 where: bonds (distance) C4'-P energy: -69.521 bonds (distance) P-C4' energy: -78.107 flat angles C4'-P-C4' energy: -79.927 flat angles P-C4'-P energy: -59.222 tors. eta vs tors. theta energy: -88.365 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: 298 Temperature: 1.150000 Total energy: -1198.819762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.819762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.819762 (E_RNA) where: Base-Base interactions energy: -817.135 where: short stacking energy: -346.357 Base-Backbone interact. energy: -3.467 local terms energy: -378.218480 where: bonds (distance) C4'-P energy: -64.234 bonds (distance) P-C4' energy: -82.153 flat angles C4'-P-C4' energy: -81.122 flat angles P-C4'-P energy: -62.298 tors. eta vs tors. theta energy: -88.411 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: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1132.900938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.900938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.900938 (E_RNA) where: Base-Base interactions energy: -773.843 where: short stacking energy: -329.512 Base-Backbone interact. energy: -2.265 local terms energy: -356.792649 where: bonds (distance) C4'-P energy: -54.091 bonds (distance) P-C4' energy: -73.632 flat angles C4'-P-C4' energy: -82.617 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: -91.174 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: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1025.940409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.940409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.940409 (E_RNA) where: Base-Base interactions energy: -659.363 where: short stacking energy: -302.136 Base-Backbone interact. energy: -1.039 local terms energy: -365.538164 where: bonds (distance) C4'-P energy: -61.717 bonds (distance) P-C4' energy: -75.956 flat angles C4'-P-C4' energy: -88.534 flat angles P-C4'-P energy: -59.649 tors. eta vs tors. theta energy: -79.682 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: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -821.694666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.694666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.694666 (E_RNA) where: Base-Base interactions energy: -536.070 where: short stacking energy: -225.663 Base-Backbone interact. energy: -1.794 local terms energy: -283.831277 where: bonds (distance) C4'-P energy: -43.969 bonds (distance) P-C4' energy: -83.165 flat angles C4'-P-C4' energy: -72.926 flat angles P-C4'-P energy: -43.824 tors. eta vs tors. theta energy: -39.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -518.858605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.858605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.858605 (E_RNA) where: Base-Base interactions energy: -270.777 where: short stacking energy: -149.303 Base-Backbone interact. energy: 0.337 local terms energy: -248.418753 where: bonds (distance) C4'-P energy: -52.190 bonds (distance) P-C4' energy: -69.387 flat angles C4'-P-C4' energy: -72.429 flat angles P-C4'-P energy: -49.257 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1532.214083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.214083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.214083 (E_RNA) where: Base-Base interactions energy: -1104.300 where: short stacking energy: -431.143 Base-Backbone interact. energy: -1.005 local terms energy: -426.908704 where: bonds (distance) C4'-P energy: -83.644 bonds (distance) P-C4' energy: -84.425 flat angles C4'-P-C4' energy: -95.073 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -108.761 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: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1488.986319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.986319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.986319 (E_RNA) where: Base-Base interactions energy: -1043.488 where: short stacking energy: -424.943 Base-Backbone interact. energy: -0.623 local terms energy: -444.875161 where: bonds (distance) C4'-P energy: -92.689 bonds (distance) P-C4' energy: -77.364 flat angles C4'-P-C4' energy: -94.727 flat angles P-C4'-P energy: -62.287 tors. eta vs tors. theta energy: -117.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1436.878545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.878545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.878545 (E_RNA) where: Base-Base interactions energy: -984.610 where: short stacking energy: -413.933 Base-Backbone interact. energy: -3.179 local terms energy: -449.089107 where: bonds (distance) C4'-P energy: -86.295 bonds (distance) P-C4' energy: -83.549 flat angles C4'-P-C4' energy: -98.797 flat angles P-C4'-P energy: -63.793 tors. eta vs tors. theta energy: -116.654 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: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1396.961991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.961991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.961991 (E_RNA) where: Base-Base interactions energy: -972.830 where: short stacking energy: -409.076 Base-Backbone interact. energy: -2.328 local terms energy: -421.803461 where: bonds (distance) C4'-P energy: -71.017 bonds (distance) P-C4' energy: -60.872 flat angles C4'-P-C4' energy: -102.063 flat angles P-C4'-P energy: -65.470 tors. eta vs tors. theta energy: -122.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1245.678240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.678240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.678240 (E_RNA) where: Base-Base interactions energy: -869.993 where: short stacking energy: -375.537 Base-Backbone interact. energy: -0.182 local terms energy: -375.502947 where: bonds (distance) C4'-P energy: -72.214 bonds (distance) P-C4' energy: -74.604 flat angles C4'-P-C4' energy: -76.174 flat angles P-C4'-P energy: -53.385 tors. eta vs tors. theta energy: -99.125 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: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1182.389612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.389612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.389612 (E_RNA) where: Base-Base interactions energy: -841.622 where: short stacking energy: -339.329 Base-Backbone interact. energy: 0.401 local terms energy: -341.168461 where: bonds (distance) C4'-P energy: -71.532 bonds (distance) P-C4' energy: -85.427 flat angles C4'-P-C4' energy: -76.306 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -67.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1135.841105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.841105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.841105 (E_RNA) where: Base-Base interactions energy: -787.695 where: short stacking energy: -331.287 Base-Backbone interact. energy: -0.956 local terms energy: -347.190060 where: bonds (distance) C4'-P energy: -66.829 bonds (distance) P-C4' energy: -69.827 flat angles C4'-P-C4' energy: -84.327 flat angles P-C4'-P energy: -48.140 tors. eta vs tors. theta energy: -78.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1034.846503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.846503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.846503 (E_RNA) where: Base-Base interactions energy: -692.003 where: short stacking energy: -309.777 Base-Backbone interact. energy: -1.533 local terms energy: -341.310277 where: bonds (distance) C4'-P energy: -71.959 bonds (distance) P-C4' energy: -64.454 flat angles C4'-P-C4' energy: -78.443 flat angles P-C4'-P energy: -56.324 tors. eta vs tors. theta energy: -70.130 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: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -814.593003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.593003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.593003 (E_RNA) where: Base-Base interactions energy: -533.759 where: short stacking energy: -246.458 Base-Backbone interact. energy: 1.822 local terms energy: -282.655189 where: bonds (distance) C4'-P energy: -65.318 bonds (distance) P-C4' energy: -66.031 flat angles C4'-P-C4' energy: -70.834 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -37.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -518.032648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.032648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.032648 (E_RNA) where: Base-Base interactions energy: -275.355 where: short stacking energy: -146.534 Base-Backbone interact. energy: 1.558 local terms energy: -244.236169 where: bonds (distance) C4'-P energy: -67.621 bonds (distance) P-C4' energy: -54.984 flat angles C4'-P-C4' energy: -69.458 flat angles P-C4'-P energy: -48.974 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1491.110706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.110706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.110706 (E_RNA) where: Base-Base interactions energy: -1040.988 where: short stacking energy: -429.993 Base-Backbone interact. energy: -4.181 local terms energy: -445.941432 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -91.682 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -56.621 tors. eta vs tors. theta energy: -119.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1504.539706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.539706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.539706 (E_RNA) where: Base-Base interactions energy: -1065.736 where: short stacking energy: -409.077 Base-Backbone interact. energy: 0.794 local terms energy: -439.597055 where: bonds (distance) C4'-P energy: -91.945 bonds (distance) P-C4' energy: -80.798 flat angles C4'-P-C4' energy: -96.364 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: -106.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1400.803985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.803985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.803985 (E_RNA) where: Base-Base interactions energy: -987.394 where: short stacking energy: -418.604 Base-Backbone interact. energy: 1.349 local terms energy: -414.758094 where: bonds (distance) C4'-P energy: -75.811 bonds (distance) P-C4' energy: -75.956 flat angles C4'-P-C4' energy: -94.823 flat angles P-C4'-P energy: -59.278 tors. eta vs tors. theta energy: -108.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1362.490582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.490582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.490582 (E_RNA) where: Base-Base interactions energy: -946.403 where: short stacking energy: -400.588 Base-Backbone interact. energy: -0.874 local terms energy: -415.213842 where: bonds (distance) C4'-P energy: -82.403 bonds (distance) P-C4' energy: -80.188 flat angles C4'-P-C4' energy: -92.245 flat angles P-C4'-P energy: -53.323 tors. eta vs tors. theta energy: -107.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1219.046561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.046561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.046561 (E_RNA) where: Base-Base interactions energy: -847.771 where: short stacking energy: -341.465 Base-Backbone interact. energy: -0.999 local terms energy: -370.276362 where: bonds (distance) C4'-P energy: -70.782 bonds (distance) P-C4' energy: -78.700 flat angles C4'-P-C4' energy: -92.250 flat angles P-C4'-P energy: -53.927 tors. eta vs tors. theta energy: -74.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1213.154996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.154996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.154996 (E_RNA) where: Base-Base interactions energy: -825.645 where: short stacking energy: -347.209 Base-Backbone interact. energy: 0.169 local terms energy: -387.678656 where: bonds (distance) C4'-P energy: -76.128 bonds (distance) P-C4' energy: -83.793 flat angles C4'-P-C4' energy: -83.378 flat angles P-C4'-P energy: -54.978 tors. eta vs tors. theta energy: -89.402 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: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1103.912284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.912284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.912284 (E_RNA) where: Base-Base interactions energy: -763.148 where: short stacking energy: -320.937 Base-Backbone interact. energy: -1.672 local terms energy: -339.093027 where: bonds (distance) C4'-P energy: -61.895 bonds (distance) P-C4' energy: -82.252 flat angles C4'-P-C4' energy: -77.753 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: -74.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1023.371313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.371313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.371313 (E_RNA) where: Base-Base interactions energy: -674.166 where: short stacking energy: -299.081 Base-Backbone interact. energy: -2.220 local terms energy: -346.984890 where: bonds (distance) C4'-P energy: -78.879 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -66.425 flat angles P-C4'-P energy: -59.087 tors. eta vs tors. theta energy: -70.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -797.511622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.511622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.511622 (E_RNA) where: Base-Base interactions energy: -525.444 where: short stacking energy: -197.102 Base-Backbone interact. energy: 1.006 local terms energy: -273.073116 where: bonds (distance) C4'-P energy: -55.186 bonds (distance) P-C4' energy: -78.490 flat angles C4'-P-C4' energy: -56.684 flat angles P-C4'-P energy: -48.620 tors. eta vs tors. theta energy: -34.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -511.951944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.951944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.951944 (E_RNA) where: Base-Base interactions energy: -281.529 where: short stacking energy: -157.243 Base-Backbone interact. energy: -4.244 local terms energy: -226.178504 where: bonds (distance) C4'-P energy: -55.203 bonds (distance) P-C4' energy: -79.812 flat angles C4'-P-C4' energy: -54.441 flat angles P-C4'-P energy: -28.350 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1507.602762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.602762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.602762 (E_RNA) where: Base-Base interactions energy: -1054.398 where: short stacking energy: -434.739 Base-Backbone interact. energy: -3.225 local terms energy: -449.979521 where: bonds (distance) C4'-P energy: -74.200 bonds (distance) P-C4' energy: -97.732 flat angles C4'-P-C4' energy: -90.052 flat angles P-C4'-P energy: -63.958 tors. eta vs tors. theta energy: -124.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1483.431352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.431352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.431352 (E_RNA) where: Base-Base interactions energy: -1082.029 where: short stacking energy: -431.500 Base-Backbone interact. energy: 0.840 local terms energy: -402.242254 where: bonds (distance) C4'-P energy: -66.916 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -99.681 flat angles P-C4'-P energy: -60.173 tors. eta vs tors. theta energy: -111.422 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: 9 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1392.189666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.189666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.189666 (E_RNA) where: Base-Base interactions energy: -958.181 where: short stacking energy: -426.432 Base-Backbone interact. energy: 3.722 local terms energy: -437.730537 where: bonds (distance) C4'-P energy: -85.566 bonds (distance) P-C4' energy: -84.219 flat angles C4'-P-C4' energy: -91.552 flat angles P-C4'-P energy: -49.126 tors. eta vs tors. theta energy: -127.267 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: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1388.295381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.295381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.295381 (E_RNA) where: Base-Base interactions energy: -962.298 where: short stacking energy: -417.689 Base-Backbone interact. energy: -0.723 local terms energy: -425.274948 where: bonds (distance) C4'-P energy: -82.466 bonds (distance) P-C4' energy: -82.061 flat angles C4'-P-C4' energy: -88.618 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -119.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1270.751211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.751211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.751211 (E_RNA) where: Base-Base interactions energy: -878.934 where: short stacking energy: -347.190 Base-Backbone interact. energy: -0.114 local terms energy: -391.703160 where: bonds (distance) C4'-P energy: -72.061 bonds (distance) P-C4' energy: -83.502 flat angles C4'-P-C4' energy: -83.853 flat angles P-C4'-P energy: -64.356 tors. eta vs tors. theta energy: -87.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1224.246569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.246569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.246569 (E_RNA) where: Base-Base interactions energy: -834.075 where: short stacking energy: -345.612 Base-Backbone interact. energy: -1.284 local terms energy: -388.887474 where: bonds (distance) C4'-P energy: -81.931 bonds (distance) P-C4' energy: -80.060 flat angles C4'-P-C4' energy: -82.162 flat angles P-C4'-P energy: -57.783 tors. eta vs tors. theta energy: -86.952 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: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1126.697324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.697324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.697324 (E_RNA) where: Base-Base interactions energy: -781.586 where: short stacking energy: -355.640 Base-Backbone interact. energy: -1.908 local terms energy: -343.203392 where: bonds (distance) C4'-P energy: -52.342 bonds (distance) P-C4' energy: -76.116 flat angles C4'-P-C4' energy: -75.627 flat angles P-C4'-P energy: -44.185 tors. eta vs tors. theta energy: -94.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -998.533755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.533755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.533755 (E_RNA) where: Base-Base interactions energy: -678.839 where: short stacking energy: -306.826 Base-Backbone interact. energy: 3.154 local terms energy: -322.848939 where: bonds (distance) C4'-P energy: -73.102 bonds (distance) P-C4' energy: -71.366 flat angles C4'-P-C4' energy: -70.225 flat angles P-C4'-P energy: -41.958 tors. eta vs tors. theta energy: -66.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -832.056234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.056234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.056234 (E_RNA) where: Base-Base interactions energy: -548.424 where: short stacking energy: -248.456 Base-Backbone interact. energy: -1.652 local terms energy: -281.980614 where: bonds (distance) C4'-P energy: -59.675 bonds (distance) P-C4' energy: -75.957 flat angles C4'-P-C4' energy: -64.861 flat angles P-C4'-P energy: -40.093 tors. eta vs tors. theta energy: -41.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -522.375520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.375520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.375520 (E_RNA) where: Base-Base interactions energy: -260.308 where: short stacking energy: -123.217 Base-Backbone interact. energy: -1.263 local terms energy: -260.805265 where: bonds (distance) C4'-P energy: -73.225 bonds (distance) P-C4' energy: -72.180 flat angles C4'-P-C4' energy: -68.249 flat angles P-C4'-P energy: -40.881 tors. eta vs tors. theta energy: -6.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1511.181547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.181547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.181547 (E_RNA) where: Base-Base interactions energy: -1062.924 where: short stacking energy: -437.445 Base-Backbone interact. energy: -2.565 local terms energy: -445.691828 where: bonds (distance) C4'-P energy: -90.077 bonds (distance) P-C4' energy: -86.294 flat angles C4'-P-C4' energy: -89.396 flat angles P-C4'-P energy: -57.287 tors. eta vs tors. theta energy: -122.637 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: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1501.727458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.727458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.727458 (E_RNA) where: Base-Base interactions energy: -1068.059 where: short stacking energy: -426.053 Base-Backbone interact. energy: -0.003 local terms energy: -433.665365 where: bonds (distance) C4'-P energy: -91.270 bonds (distance) P-C4' energy: -78.179 flat angles C4'-P-C4' energy: -96.876 flat angles P-C4'-P energy: -57.380 tors. eta vs tors. theta energy: -109.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1410.929698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.929698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.929698 (E_RNA) where: Base-Base interactions energy: -980.773 where: short stacking energy: -432.915 Base-Backbone interact. energy: 0.073 local terms energy: -430.229876 where: bonds (distance) C4'-P energy: -89.394 bonds (distance) P-C4' energy: -68.214 flat angles C4'-P-C4' energy: -94.989 flat angles P-C4'-P energy: -58.190 tors. eta vs tors. theta energy: -119.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1370.241020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.241020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.241020 (E_RNA) where: Base-Base interactions energy: -949.324 where: short stacking energy: -401.551 Base-Backbone interact. energy: -0.413 local terms energy: -420.504832 where: bonds (distance) C4'-P energy: -75.083 bonds (distance) P-C4' energy: -79.568 flat angles C4'-P-C4' energy: -93.729 flat angles P-C4'-P energy: -53.871 tors. eta vs tors. theta energy: -118.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1230.356882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.356882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.356882 (E_RNA) where: Base-Base interactions energy: -828.317 where: short stacking energy: -374.284 Base-Backbone interact. energy: -2.795 local terms energy: -399.245060 where: bonds (distance) C4'-P energy: -77.387 bonds (distance) P-C4' energy: -80.207 flat angles C4'-P-C4' energy: -79.104 flat angles P-C4'-P energy: -60.690 tors. eta vs tors. theta energy: -101.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1237.177425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.177425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.177425 (E_RNA) where: Base-Base interactions energy: -860.947 where: short stacking energy: -359.573 Base-Backbone interact. energy: 0.929 local terms energy: -377.160169 where: bonds (distance) C4'-P energy: -61.054 bonds (distance) P-C4' energy: -81.336 flat angles C4'-P-C4' energy: -86.949 flat angles P-C4'-P energy: -59.954 tors. eta vs tors. theta energy: -87.868 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: 7, replica: 5 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1050.883275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.883275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.883275 (E_RNA) where: Base-Base interactions energy: -674.671 where: short stacking energy: -317.664 Base-Backbone interact. energy: -1.592 local terms energy: -374.620977 where: bonds (distance) C4'-P energy: -74.768 bonds (distance) P-C4' energy: -83.418 flat angles C4'-P-C4' energy: -81.491 flat angles P-C4'-P energy: -53.021 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: 8, replica: 3 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1086.121391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.121391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.121391 (E_RNA) where: Base-Base interactions energy: -741.141 where: short stacking energy: -321.224 Base-Backbone interact. energy: -1.637 local terms energy: -343.343740 where: bonds (distance) C4'-P energy: -55.839 bonds (distance) P-C4' energy: -74.048 flat angles C4'-P-C4' energy: -89.450 flat angles P-C4'-P energy: -42.135 tors. eta vs tors. theta energy: -81.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -873.924705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.924705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.924705 (E_RNA) where: Base-Base interactions energy: -571.064 where: short stacking energy: -240.952 Base-Backbone interact. energy: -0.109 local terms energy: -302.751599 where: bonds (distance) C4'-P energy: -57.929 bonds (distance) P-C4' energy: -74.941 flat angles C4'-P-C4' energy: -77.372 flat angles P-C4'-P energy: -48.024 tors. eta vs tors. theta energy: -44.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -577.395938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.395938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.395938 (E_RNA) where: Base-Base interactions energy: -342.342 where: short stacking energy: -154.101 Base-Backbone interact. energy: -2.126 local terms energy: -232.928202 where: bonds (distance) C4'-P energy: -68.359 bonds (distance) P-C4' energy: -61.696 flat angles C4'-P-C4' energy: -53.862 flat angles P-C4'-P energy: -31.065 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: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1506.455731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.455731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.455731 (E_RNA) where: Base-Base interactions energy: -1064.375 where: short stacking energy: -428.616 Base-Backbone interact. energy: -2.928 local terms energy: -439.152474 where: bonds (distance) C4'-P energy: -82.202 bonds (distance) P-C4' energy: -88.273 flat angles C4'-P-C4' energy: -91.913 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -121.087 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: 303 Temperature: 0.950000 Total energy: -1511.534288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.534288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.534288 (E_RNA) where: Base-Base interactions energy: -1071.246 where: short stacking energy: -433.492 Base-Backbone interact. energy: -0.118 local terms energy: -440.170753 where: bonds (distance) C4'-P energy: -80.077 bonds (distance) P-C4' energy: -86.510 flat angles C4'-P-C4' energy: -92.521 flat angles P-C4'-P energy: -59.784 tors. eta vs tors. theta energy: -121.279 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: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1414.754880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.754880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.754880 (E_RNA) where: Base-Base interactions energy: -980.410 where: short stacking energy: -431.860 Base-Backbone interact. energy: -2.653 local terms energy: -431.691439 where: bonds (distance) C4'-P energy: -76.647 bonds (distance) P-C4' energy: -76.819 flat angles C4'-P-C4' energy: -95.715 flat angles P-C4'-P energy: -63.092 tors. eta vs tors. theta energy: -119.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1377.190001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.190001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.190001 (E_RNA) where: Base-Base interactions energy: -952.513 where: short stacking energy: -401.032 Base-Backbone interact. energy: 2.210 local terms energy: -426.887486 where: bonds (distance) C4'-P energy: -83.767 bonds (distance) P-C4' energy: -82.114 flat angles C4'-P-C4' energy: -83.369 flat angles P-C4'-P energy: -59.722 tors. eta vs tors. theta energy: -117.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1220.350374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.350374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.350374 (E_RNA) where: Base-Base interactions energy: -860.498 where: short stacking energy: -373.052 Base-Backbone interact. energy: -1.838 local terms energy: -358.013793 where: bonds (distance) C4'-P energy: -68.639 bonds (distance) P-C4' energy: -59.412 flat angles C4'-P-C4' energy: -91.374 flat angles P-C4'-P energy: -43.039 tors. eta vs tors. theta energy: -95.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1253.665971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.665971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.665971 (E_RNA) where: Base-Base interactions energy: -855.637 where: short stacking energy: -351.946 Base-Backbone interact. energy: -2.290 local terms energy: -395.739195 where: bonds (distance) C4'-P energy: -75.607 bonds (distance) P-C4' energy: -77.933 flat angles C4'-P-C4' energy: -86.208 flat angles P-C4'-P energy: -63.642 tors. eta vs tors. theta energy: -92.350 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: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1015.360835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.360835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.360835 (E_RNA) where: Base-Base interactions energy: -663.396 where: short stacking energy: -318.406 Base-Backbone interact. energy: -0.780 local terms energy: -351.185111 where: bonds (distance) C4'-P energy: -73.147 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -78.719 flat angles P-C4'-P energy: -52.338 tors. eta vs tors. theta energy: -80.714 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: 303 Temperature: 1.250000 Total energy: -1031.963316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.963316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.963316 (E_RNA) where: Base-Base interactions energy: -715.248 where: short stacking energy: -303.052 Base-Backbone interact. energy: -3.203 local terms energy: -313.512528 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -64.957 flat angles C4'-P-C4' energy: -70.167 flat angles P-C4'-P energy: -43.278 tors. eta vs tors. theta energy: -71.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -865.601840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.601840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.601840 (E_RNA) where: Base-Base interactions energy: -565.313 where: short stacking energy: -236.024 Base-Backbone interact. energy: -0.496 local terms energy: -299.793098 where: bonds (distance) C4'-P energy: -75.023 bonds (distance) P-C4' energy: -58.223 flat angles C4'-P-C4' energy: -67.174 flat angles P-C4'-P energy: -61.049 tors. eta vs tors. theta energy: -38.324 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: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -591.192310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.192310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.192310 (E_RNA) where: Base-Base interactions energy: -339.851 where: short stacking energy: -178.030 Base-Backbone interact. energy: -2.600 local terms energy: -248.741839 where: bonds (distance) C4'-P energy: -61.928 bonds (distance) P-C4' energy: -81.743 flat angles C4'-P-C4' energy: -62.869 flat angles P-C4'-P energy: -31.791 tors. eta vs tors. theta energy: -10.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1504.357922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.357922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.357922 (E_RNA) where: Base-Base interactions energy: -1073.049 where: short stacking energy: -435.015 Base-Backbone interact. energy: -1.437 local terms energy: -429.871827 where: bonds (distance) C4'-P energy: -74.492 bonds (distance) P-C4' energy: -89.778 flat angles C4'-P-C4' energy: -98.692 flat angles P-C4'-P energy: -51.436 tors. eta vs tors. theta energy: -115.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1504.384297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.384297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.384297 (E_RNA) where: Base-Base interactions energy: -1077.118 where: short stacking energy: -433.998 Base-Backbone interact. energy: -2.760 local terms energy: -424.506931 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -94.648 flat angles P-C4'-P energy: -54.899 tors. eta vs tors. theta energy: -115.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1437.221846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.221846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.221846 (E_RNA) where: Base-Base interactions energy: -1003.345 where: short stacking energy: -427.328 Base-Backbone interact. energy: 0.286 local terms energy: -434.163039 where: bonds (distance) C4'-P energy: -75.128 bonds (distance) P-C4' energy: -71.912 flat angles C4'-P-C4' energy: -87.276 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -132.327 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: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1382.366076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.366076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.366076 (E_RNA) where: Base-Base interactions energy: -950.171 where: short stacking energy: -391.371 Base-Backbone interact. energy: -2.840 local terms energy: -429.354813 where: bonds (distance) C4'-P energy: -74.539 bonds (distance) P-C4' energy: -87.266 flat angles C4'-P-C4' energy: -98.808 flat angles P-C4'-P energy: -55.209 tors. eta vs tors. theta energy: -113.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1271.390944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.390944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.390944 (E_RNA) where: Base-Base interactions energy: -875.610 where: short stacking energy: -379.659 Base-Backbone interact. energy: -2.460 local terms energy: -393.321133 where: bonds (distance) C4'-P energy: -73.375 bonds (distance) P-C4' energy: -75.507 flat angles C4'-P-C4' energy: -86.604 flat angles P-C4'-P energy: -60.026 tors. eta vs tors. theta energy: -97.810 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: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1212.938794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.938794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.938794 (E_RNA) where: Base-Base interactions energy: -830.763 where: short stacking energy: -346.470 Base-Backbone interact. energy: 1.114 local terms energy: -383.289334 where: bonds (distance) C4'-P energy: -82.191 bonds (distance) P-C4' energy: -69.012 flat angles C4'-P-C4' energy: -83.023 flat angles P-C4'-P energy: -58.490 tors. eta vs tors. theta energy: -90.574 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: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1101.129587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.129587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.129587 (E_RNA) where: Base-Base interactions energy: -764.183 where: short stacking energy: -316.222 Base-Backbone interact. energy: -1.946 local terms energy: -335.009077 where: bonds (distance) C4'-P energy: -60.130 bonds (distance) P-C4' energy: -70.536 flat angles C4'-P-C4' energy: -76.603 flat angles P-C4'-P energy: -43.993 tors. eta vs tors. theta energy: -83.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.009 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -963.169370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.169370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.169370 (E_RNA) where: Base-Base interactions energy: -617.676 where: short stacking energy: -276.598 Base-Backbone interact. energy: -0.302 local terms energy: -345.191548 where: bonds (distance) C4'-P energy: -77.167 bonds (distance) P-C4' energy: -74.822 flat angles C4'-P-C4' energy: -75.333 flat angles P-C4'-P energy: -48.513 tors. eta vs tors. theta energy: -69.357 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -883.509042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.509042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.509042 (E_RNA) where: Base-Base interactions energy: -599.455 where: short stacking energy: -283.469 Base-Backbone interact. energy: 0.328 local terms energy: -284.381937 where: bonds (distance) C4'-P energy: -59.557 bonds (distance) P-C4' energy: -81.148 flat angles C4'-P-C4' energy: -62.098 flat angles P-C4'-P energy: -34.118 tors. eta vs tors. theta energy: -47.461 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: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -533.716699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.716699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.716699 (E_RNA) where: Base-Base interactions energy: -314.139 where: short stacking energy: -149.242 Base-Backbone interact. energy: 6.674 local terms energy: -226.250924 where: bonds (distance) C4'-P energy: -73.821 bonds (distance) P-C4' energy: -57.976 flat angles C4'-P-C4' energy: -54.674 flat angles P-C4'-P energy: -13.331 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: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1504.820857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.820857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.820857 (E_RNA) where: Base-Base interactions energy: -1060.326 where: short stacking energy: -430.912 Base-Backbone interact. energy: 0.356 local terms energy: -444.850643 where: bonds (distance) C4'-P energy: -85.618 bonds (distance) P-C4' energy: -83.794 flat angles C4'-P-C4' energy: -97.689 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -119.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1499.634052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.634052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.634052 (E_RNA) where: Base-Base interactions energy: -1062.430 where: short stacking energy: -425.553 Base-Backbone interact. energy: -0.115 local terms energy: -437.088989 where: bonds (distance) C4'-P energy: -82.405 bonds (distance) P-C4' energy: -85.334 flat angles C4'-P-C4' energy: -92.830 flat angles P-C4'-P energy: -58.657 tors. eta vs tors. theta energy: -117.863 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: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1407.409199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.409199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.409199 (E_RNA) where: Base-Base interactions energy: -993.237 where: short stacking energy: -413.053 Base-Backbone interact. energy: 5.591 local terms energy: -419.762725 where: bonds (distance) C4'-P energy: -85.428 bonds (distance) P-C4' energy: -79.048 flat angles C4'-P-C4' energy: -79.822 flat angles P-C4'-P energy: -62.847 tors. eta vs tors. theta energy: -112.618 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: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1343.917094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.917094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.917094 (E_RNA) where: Base-Base interactions energy: -966.480 where: short stacking energy: -395.508 Base-Backbone interact. energy: 0.661 local terms energy: -378.097898 where: bonds (distance) C4'-P energy: -64.471 bonds (distance) P-C4' energy: -75.762 flat angles C4'-P-C4' energy: -87.185 flat angles P-C4'-P energy: -50.005 tors. eta vs tors. theta energy: -100.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1265.436321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.436321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.436321 (E_RNA) where: Base-Base interactions energy: -871.159 where: short stacking energy: -345.401 Base-Backbone interact. energy: -2.021 local terms energy: -392.255841 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -86.700 flat angles C4'-P-C4' energy: -75.642 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -88.517 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: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1150.937748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.937748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.937748 (E_RNA) where: Base-Base interactions energy: -793.413 where: short stacking energy: -337.541 Base-Backbone interact. energy: -0.065 local terms energy: -357.459678 where: bonds (distance) C4'-P energy: -72.386 bonds (distance) P-C4' energy: -77.327 flat angles C4'-P-C4' energy: -83.952 flat angles P-C4'-P energy: -50.449 tors. eta vs tors. theta energy: -73.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1095.155037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.155037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.155037 (E_RNA) where: Base-Base interactions energy: -742.780 where: short stacking energy: -324.095 Base-Backbone interact. energy: -1.701 local terms energy: -350.674063 where: bonds (distance) C4'-P energy: -73.625 bonds (distance) P-C4' energy: -75.348 flat angles C4'-P-C4' energy: -78.037 flat angles P-C4'-P energy: -48.515 tors. eta vs tors. theta energy: -75.149 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: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -988.252717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.252717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.252717 (E_RNA) where: Base-Base interactions energy: -624.329 where: short stacking energy: -305.741 Base-Backbone interact. energy: -0.854 local terms energy: -363.069740 where: bonds (distance) C4'-P energy: -87.177 bonds (distance) P-C4' energy: -67.791 flat angles C4'-P-C4' energy: -76.995 flat angles P-C4'-P energy: -52.249 tors. eta vs tors. theta energy: -78.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -854.616151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.616151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.616151 (E_RNA) where: Base-Base interactions energy: -530.605 where: short stacking energy: -240.149 Base-Backbone interact. energy: 0.950 local terms energy: -324.961122 where: bonds (distance) C4'-P energy: -73.719 bonds (distance) P-C4' energy: -83.822 flat angles C4'-P-C4' energy: -75.811 flat angles P-C4'-P energy: -49.853 tors. eta vs tors. theta energy: -41.756 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: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -515.272707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.272707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.272707 (E_RNA) where: Base-Base interactions energy: -266.439 where: short stacking energy: -130.366 Base-Backbone interact. energy: 2.457 local terms energy: -251.290368 where: bonds (distance) C4'-P energy: -60.888 bonds (distance) P-C4' energy: -79.672 flat angles C4'-P-C4' energy: -68.307 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: 1.923 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: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1528.068733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.068733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.068733 (E_RNA) where: Base-Base interactions energy: -1084.277 where: short stacking energy: -428.043 Base-Backbone interact. energy: -1.212 local terms energy: -442.580124 where: bonds (distance) C4'-P energy: -85.339 bonds (distance) P-C4' energy: -84.360 flat angles C4'-P-C4' energy: -90.566 flat angles P-C4'-P energy: -62.183 tors. eta vs tors. theta energy: -120.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1471.785004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.785004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.785004 (E_RNA) where: Base-Base interactions energy: -1045.563 where: short stacking energy: -435.455 Base-Backbone interact. energy: -4.128 local terms energy: -422.094397 where: bonds (distance) C4'-P energy: -74.717 bonds (distance) P-C4' energy: -81.142 flat angles C4'-P-C4' energy: -100.181 flat angles P-C4'-P energy: -55.822 tors. eta vs tors. theta energy: -110.232 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: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1383.231438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.231438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.231438 (E_RNA) where: Base-Base interactions energy: -965.130 where: short stacking energy: -409.715 Base-Backbone interact. energy: 0.736 local terms energy: -418.837060 where: bonds (distance) C4'-P energy: -74.885 bonds (distance) P-C4' energy: -82.642 flat angles C4'-P-C4' energy: -89.818 flat angles P-C4'-P energy: -57.954 tors. eta vs tors. theta energy: -113.537 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: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1400.602086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.602086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.602086 (E_RNA) where: Base-Base interactions energy: -954.660 where: short stacking energy: -428.190 Base-Backbone interact. energy: -0.665 local terms energy: -445.277237 where: bonds (distance) C4'-P energy: -75.330 bonds (distance) P-C4' energy: -86.064 flat angles C4'-P-C4' energy: -99.048 flat angles P-C4'-P energy: -61.057 tors. eta vs tors. theta energy: -123.778 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: 6 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1282.964602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.964602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.964602 (E_RNA) where: Base-Base interactions energy: -905.325 where: short stacking energy: -377.632 Base-Backbone interact. energy: -1.665 local terms energy: -375.975223 where: bonds (distance) C4'-P energy: -74.569 bonds (distance) P-C4' energy: -78.085 flat angles C4'-P-C4' energy: -82.708 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -88.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1249.960489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.960489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.960489 (E_RNA) where: Base-Base interactions energy: -863.396 where: short stacking energy: -381.680 Base-Backbone interact. energy: -0.334 local terms energy: -386.229697 where: bonds (distance) C4'-P energy: -75.953 bonds (distance) P-C4' energy: -68.446 flat angles C4'-P-C4' energy: -82.228 flat angles P-C4'-P energy: -54.962 tors. eta vs tors. theta energy: -104.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1135.529202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.529202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.529202 (E_RNA) where: Base-Base interactions energy: -784.651 where: short stacking energy: -352.372 Base-Backbone interact. energy: -1.290 local terms energy: -349.587793 where: bonds (distance) C4'-P energy: -59.803 bonds (distance) P-C4' energy: -75.844 flat angles C4'-P-C4' energy: -78.386 flat angles P-C4'-P energy: -55.911 tors. eta vs tors. theta energy: -79.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1046.994665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.994665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.994665 (E_RNA) where: Base-Base interactions energy: -705.527 where: short stacking energy: -320.468 Base-Backbone interact. energy: 4.089 local terms energy: -345.556369 where: bonds (distance) C4'-P energy: -71.783 bonds (distance) P-C4' energy: -72.955 flat angles C4'-P-C4' energy: -83.007 flat angles P-C4'-P energy: -41.646 tors. eta vs tors. theta energy: -76.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -860.354853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.354853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.354853 (E_RNA) where: Base-Base interactions energy: -578.199 where: short stacking energy: -242.835 Base-Backbone interact. energy: 2.215 local terms energy: -284.371075 where: bonds (distance) C4'-P energy: -55.891 bonds (distance) P-C4' energy: -70.444 flat angles C4'-P-C4' energy: -72.940 flat angles P-C4'-P energy: -51.923 tors. eta vs tors. theta energy: -33.173 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: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -506.350606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.350606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.350606 (E_RNA) where: Base-Base interactions energy: -266.126 where: short stacking energy: -143.040 Base-Backbone interact. energy: 1.197 local terms energy: -241.421829 where: bonds (distance) C4'-P energy: -63.756 bonds (distance) P-C4' energy: -64.972 flat angles C4'-P-C4' energy: -68.338 flat angles P-C4'-P energy: -33.754 tors. eta vs tors. theta energy: -10.601 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: 1, replica: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1526.444841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.444841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.444841 (E_RNA) where: Base-Base interactions energy: -1098.727 where: short stacking energy: -420.445 Base-Backbone interact. energy: -1.193 local terms energy: -426.525528 where: bonds (distance) C4'-P energy: -81.016 bonds (distance) P-C4' energy: -92.441 flat angles C4'-P-C4' energy: -87.440 flat angles P-C4'-P energy: -51.666 tors. eta vs tors. theta energy: -113.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1483.278167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.278167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.278167 (E_RNA) where: Base-Base interactions energy: -1051.179 where: short stacking energy: -398.689 Base-Backbone interact. energy: -1.660 local terms energy: -430.439714 where: bonds (distance) C4'-P energy: -85.103 bonds (distance) P-C4' energy: -85.037 flat angles C4'-P-C4' energy: -96.113 flat angles P-C4'-P energy: -55.842 tors. eta vs tors. theta energy: -108.345 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: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1351.725668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.725668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.725668 (E_RNA) where: Base-Base interactions energy: -939.025 where: short stacking energy: -399.943 Base-Backbone interact. energy: -1.675 local terms energy: -411.025096 where: bonds (distance) C4'-P energy: -77.418 bonds (distance) P-C4' energy: -69.491 flat angles C4'-P-C4' energy: -89.773 flat angles P-C4'-P energy: -68.423 tors. eta vs tors. theta energy: -105.920 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: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1403.602122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.602122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.602122 (E_RNA) where: Base-Base interactions energy: -993.914 where: short stacking energy: -427.522 Base-Backbone interact. energy: -1.013 local terms energy: -408.675578 where: bonds (distance) C4'-P energy: -73.714 bonds (distance) P-C4' energy: -73.907 flat angles C4'-P-C4' energy: -102.426 flat angles P-C4'-P energy: -51.184 tors. eta vs tors. theta energy: -107.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1315.576328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.576328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.576328 (E_RNA) where: Base-Base interactions energy: -913.661 where: short stacking energy: -375.571 Base-Backbone interact. energy: -4.565 local terms energy: -397.349804 where: bonds (distance) C4'-P energy: -76.283 bonds (distance) P-C4' energy: -77.597 flat angles C4'-P-C4' energy: -91.290 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -91.521 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: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1247.552782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.552782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.552782 (E_RNA) where: Base-Base interactions energy: -857.785 where: short stacking energy: -382.755 Base-Backbone interact. energy: 0.846 local terms energy: -390.614036 where: bonds (distance) C4'-P energy: -71.151 bonds (distance) P-C4' energy: -68.241 flat angles C4'-P-C4' energy: -88.503 flat angles P-C4'-P energy: -62.629 tors. eta vs tors. theta energy: -100.090 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: 3 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1139.118294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.118294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.118294 (E_RNA) where: Base-Base interactions energy: -787.926 where: short stacking energy: -356.128 Base-Backbone interact. energy: 0.469 local terms energy: -351.661269 where: bonds (distance) C4'-P energy: -61.400 bonds (distance) P-C4' energy: -76.797 flat angles C4'-P-C4' energy: -80.016 flat angles P-C4'-P energy: -43.004 tors. eta vs tors. theta energy: -90.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1030.626144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.626144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.626144 (E_RNA) where: Base-Base interactions energy: -679.173 where: short stacking energy: -316.321 Base-Backbone interact. energy: 0.263 local terms energy: -351.716854 where: bonds (distance) C4'-P energy: -61.344 bonds (distance) P-C4' energy: -69.464 flat angles C4'-P-C4' energy: -85.386 flat angles P-C4'-P energy: -58.066 tors. eta vs tors. theta energy: -77.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -830.066591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.066591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.066591 (E_RNA) where: Base-Base interactions energy: -549.347 where: short stacking energy: -233.840 Base-Backbone interact. energy: 1.971 local terms energy: -282.689953 where: bonds (distance) C4'-P energy: -63.733 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -32.383 tors. eta vs tors. theta energy: -40.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -502.258264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.258264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.258264 (E_RNA) where: Base-Base interactions energy: -272.054 where: short stacking energy: -144.743 Base-Backbone interact. energy: -0.549 local terms energy: -229.654665 where: bonds (distance) C4'-P energy: -49.995 bonds (distance) P-C4' energy: -73.477 flat angles C4'-P-C4' energy: -50.116 flat angles P-C4'-P energy: -44.426 tors. eta vs tors. theta energy: -11.641 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: 7 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1556.219903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.219903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.219903 (E_RNA) where: Base-Base interactions energy: -1122.905 where: short stacking energy: -428.868 Base-Backbone interact. energy: -1.616 local terms energy: -431.698633 where: bonds (distance) C4'-P energy: -74.321 bonds (distance) P-C4' energy: -81.437 flat angles C4'-P-C4' energy: -93.565 flat angles P-C4'-P energy: -60.565 tors. eta vs tors. theta energy: -121.810 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: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1458.406918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.406918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.406918 (E_RNA) where: Base-Base interactions energy: -1052.776 where: short stacking energy: -430.727 Base-Backbone interact. energy: -1.454 local terms energy: -404.177138 where: bonds (distance) C4'-P energy: -58.667 bonds (distance) P-C4' energy: -87.760 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -47.709 tors. eta vs tors. theta energy: -112.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1414.461709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.461709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.461709 (E_RNA) where: Base-Base interactions energy: -975.049 where: short stacking energy: -418.892 Base-Backbone interact. energy: 0.291 local terms energy: -439.703751 where: bonds (distance) C4'-P energy: -82.685 bonds (distance) P-C4' energy: -77.830 flat angles C4'-P-C4' energy: -98.927 flat angles P-C4'-P energy: -54.099 tors. eta vs tors. theta energy: -126.163 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: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1346.554519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.554519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.554519 (E_RNA) where: Base-Base interactions energy: -953.191 where: short stacking energy: -376.797 Base-Backbone interact. energy: 0.208 local terms energy: -393.571727 where: bonds (distance) C4'-P energy: -73.067 bonds (distance) P-C4' energy: -74.215 flat angles C4'-P-C4' energy: -94.065 flat angles P-C4'-P energy: -47.257 tors. eta vs tors. theta energy: -104.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1258.978317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.978317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.978317 (E_RNA) where: Base-Base interactions energy: -885.666 where: short stacking energy: -372.425 Base-Backbone interact. energy: -0.060 local terms energy: -373.252193 where: bonds (distance) C4'-P energy: -68.463 bonds (distance) P-C4' energy: -69.458 flat angles C4'-P-C4' energy: -86.558 flat angles P-C4'-P energy: -54.373 tors. eta vs tors. theta energy: -94.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1182.344545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.344545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.344545 (E_RNA) where: Base-Base interactions energy: -819.284 where: short stacking energy: -357.003 Base-Backbone interact. energy: -3.067 local terms energy: -359.994405 where: bonds (distance) C4'-P energy: -67.292 bonds (distance) P-C4' energy: -65.615 flat angles C4'-P-C4' energy: -81.115 flat angles P-C4'-P energy: -46.515 tors. eta vs tors. theta energy: -99.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1190.007954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.007954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.007954 (E_RNA) where: Base-Base interactions energy: -814.420 where: short stacking energy: -366.035 Base-Backbone interact. energy: -1.592 local terms energy: -373.995782 where: bonds (distance) C4'-P energy: -64.742 bonds (distance) P-C4' energy: -76.950 flat angles C4'-P-C4' energy: -84.467 flat angles P-C4'-P energy: -46.642 tors. eta vs tors. theta energy: -101.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1044.567968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.567968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.567968 (E_RNA) where: Base-Base interactions energy: -690.027 where: short stacking energy: -306.950 Base-Backbone interact. energy: 0.800 local terms energy: -355.341498 where: bonds (distance) C4'-P energy: -71.065 bonds (distance) P-C4' energy: -81.324 flat angles C4'-P-C4' energy: -80.059 flat angles P-C4'-P energy: -45.259 tors. eta vs tors. theta energy: -77.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -825.197717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.197717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.197717 (E_RNA) where: Base-Base interactions energy: -535.610 where: short stacking energy: -233.246 Base-Backbone interact. energy: 1.641 local terms energy: -291.228251 where: bonds (distance) C4'-P energy: -67.312 bonds (distance) P-C4' energy: -73.025 flat angles C4'-P-C4' energy: -67.157 flat angles P-C4'-P energy: -47.254 tors. eta vs tors. theta energy: -36.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -520.812855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.812855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.812855 (E_RNA) where: Base-Base interactions energy: -284.206 where: short stacking energy: -145.808 Base-Backbone interact. energy: -0.877 local terms energy: -235.729927 where: bonds (distance) C4'-P energy: -67.237 bonds (distance) P-C4' energy: -68.153 flat angles C4'-P-C4' energy: -54.478 flat angles P-C4'-P energy: -34.942 tors. eta vs tors. theta energy: -10.920 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: 7 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1549.327947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.327947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.327947 (E_RNA) where: Base-Base interactions energy: -1120.258 where: short stacking energy: -446.542 Base-Backbone interact. energy: -0.390 local terms energy: -428.679206 where: bonds (distance) C4'-P energy: -88.162 bonds (distance) P-C4' energy: -79.455 flat angles C4'-P-C4' energy: -97.223 flat angles P-C4'-P energy: -42.093 tors. eta vs tors. theta energy: -121.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1475.675118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.675118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.675118 (E_RNA) where: Base-Base interactions energy: -1061.342 where: short stacking energy: -429.764 Base-Backbone interact. energy: -3.129 local terms energy: -411.203742 where: bonds (distance) C4'-P energy: -75.537 bonds (distance) P-C4' energy: -71.440 flat angles C4'-P-C4' energy: -87.828 flat angles P-C4'-P energy: -60.305 tors. eta vs tors. theta energy: -116.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1366.073117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.073117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.073117 (E_RNA) where: Base-Base interactions energy: -948.425 where: short stacking energy: -413.988 Base-Backbone interact. energy: -1.813 local terms energy: -415.835073 where: bonds (distance) C4'-P energy: -73.605 bonds (distance) P-C4' energy: -83.341 flat angles C4'-P-C4' energy: -90.683 flat angles P-C4'-P energy: -52.555 tors. eta vs tors. theta energy: -115.650 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: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1376.311069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.311069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.311069 (E_RNA) where: Base-Base interactions energy: -969.398 where: short stacking energy: -406.811 Base-Backbone interact. energy: 1.676 local terms energy: -408.589863 where: bonds (distance) C4'-P energy: -73.724 bonds (distance) P-C4' energy: -82.293 flat angles C4'-P-C4' energy: -89.775 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -107.431 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: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1247.819853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.819853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.819853 (E_RNA) where: Base-Base interactions energy: -858.101 where: short stacking energy: -362.248 Base-Backbone interact. energy: -2.188 local terms energy: -387.530184 where: bonds (distance) C4'-P energy: -81.378 bonds (distance) P-C4' energy: -74.416 flat angles C4'-P-C4' energy: -81.232 flat angles P-C4'-P energy: -58.862 tors. eta vs tors. theta energy: -91.642 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: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1221.457020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.457020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.457020 (E_RNA) where: Base-Base interactions energy: -850.766 where: short stacking energy: -361.143 Base-Backbone interact. energy: -2.007 local terms energy: -368.683818 where: bonds (distance) C4'-P energy: -65.075 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -83.185 flat angles P-C4'-P energy: -50.630 tors. eta vs tors. theta energy: -88.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1160.024252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.024252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.024252 (E_RNA) where: Base-Base interactions energy: -793.884 where: short stacking energy: -332.810 Base-Backbone interact. energy: -0.299 local terms energy: -365.841699 where: bonds (distance) C4'-P energy: -81.896 bonds (distance) P-C4' energy: -80.910 flat angles C4'-P-C4' energy: -82.028 flat angles P-C4'-P energy: -43.810 tors. eta vs tors. theta energy: -77.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1041.422981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.422981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.422981 (E_RNA) where: Base-Base interactions energy: -692.578 where: short stacking energy: -304.613 Base-Backbone interact. energy: -1.105 local terms energy: -347.739805 where: bonds (distance) C4'-P energy: -72.522 bonds (distance) P-C4' energy: -69.281 flat angles C4'-P-C4' energy: -80.723 flat angles P-C4'-P energy: -45.390 tors. eta vs tors. theta energy: -79.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -907.674269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.674269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.674269 (E_RNA) where: Base-Base interactions energy: -608.818 where: short stacking energy: -261.728 Base-Backbone interact. energy: -3.790 local terms energy: -295.066073 where: bonds (distance) C4'-P energy: -63.481 bonds (distance) P-C4' energy: -79.609 flat angles C4'-P-C4' energy: -57.106 flat angles P-C4'-P energy: -44.927 tors. eta vs tors. theta energy: -49.943 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: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -537.072620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.072620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.072620 (E_RNA) where: Base-Base interactions energy: -300.478 where: short stacking energy: -156.550 Base-Backbone interact. energy: -2.045 local terms energy: -234.550090 where: bonds (distance) C4'-P energy: -74.186 bonds (distance) P-C4' energy: -65.867 flat angles C4'-P-C4' energy: -60.508 flat angles P-C4'-P energy: -35.181 tors. eta vs tors. theta energy: 1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1535.845366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.845366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.845366 (E_RNA) where: Base-Base interactions energy: -1075.335 where: short stacking energy: -428.097 Base-Backbone interact. energy: -1.200 local terms energy: -459.310112 where: bonds (distance) C4'-P energy: -84.647 bonds (distance) P-C4' energy: -94.486 flat angles C4'-P-C4' energy: -88.623 flat angles P-C4'-P energy: -68.218 tors. eta vs tors. theta energy: -123.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1472.892161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.892161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.892161 (E_RNA) where: Base-Base interactions energy: -1031.617 where: short stacking energy: -422.385 Base-Backbone interact. energy: -2.250 local terms energy: -439.025234 where: bonds (distance) C4'-P energy: -78.956 bonds (distance) P-C4' energy: -85.773 flat angles C4'-P-C4' energy: -92.949 flat angles P-C4'-P energy: -63.830 tors. eta vs tors. theta energy: -117.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1377.082140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.082140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.082140 (E_RNA) where: Base-Base interactions energy: -965.121 where: short stacking energy: -420.804 Base-Backbone interact. energy: 0.971 local terms energy: -413.941849 where: bonds (distance) C4'-P energy: -71.676 bonds (distance) P-C4' energy: -81.488 flat angles C4'-P-C4' energy: -86.134 flat angles P-C4'-P energy: -56.900 tors. eta vs tors. theta energy: -117.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.010 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1355.939554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.939554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.939554 (E_RNA) where: Base-Base interactions energy: -955.825 where: short stacking energy: -397.589 Base-Backbone interact. energy: -1.422 local terms energy: -398.693046 where: bonds (distance) C4'-P energy: -81.333 bonds (distance) P-C4' energy: -71.071 flat angles C4'-P-C4' energy: -84.922 flat angles P-C4'-P energy: -58.366 tors. eta vs tors. theta energy: -103.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1285.614453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.614453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.614453 (E_RNA) where: Base-Base interactions energy: -878.153 where: short stacking energy: -394.916 Base-Backbone interact. energy: -1.859 local terms energy: -405.602016 where: bonds (distance) C4'-P energy: -70.500 bonds (distance) P-C4' energy: -83.272 flat angles C4'-P-C4' energy: -85.510 flat angles P-C4'-P energy: -58.073 tors. eta vs tors. theta energy: -108.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1166.638125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.638125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.638125 (E_RNA) where: Base-Base interactions energy: -804.788 where: short stacking energy: -327.543 Base-Backbone interact. energy: 4.284 local terms energy: -366.133844 where: bonds (distance) C4'-P energy: -78.755 bonds (distance) P-C4' energy: -72.849 flat angles C4'-P-C4' energy: -83.395 flat angles P-C4'-P energy: -53.608 tors. eta vs tors. theta energy: -77.527 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: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1194.936655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.936655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.936655 (E_RNA) where: Base-Base interactions energy: -808.741 where: short stacking energy: -356.309 Base-Backbone interact. energy: 0.040 local terms energy: -386.659480 where: bonds (distance) C4'-P energy: -71.065 bonds (distance) P-C4' energy: -72.782 flat angles C4'-P-C4' energy: -88.996 flat angles P-C4'-P energy: -58.690 tors. eta vs tors. theta energy: -95.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.424 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1066.884111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.884111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.884111 (E_RNA) where: Base-Base interactions energy: -702.729 where: short stacking energy: -336.111 Base-Backbone interact. energy: -0.837 local terms energy: -363.318411 where: bonds (distance) C4'-P energy: -87.489 bonds (distance) P-C4' energy: -53.153 flat angles C4'-P-C4' energy: -81.910 flat angles P-C4'-P energy: -55.435 tors. eta vs tors. theta energy: -85.331 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: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -963.848258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.848258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.848258 (E_RNA) where: Base-Base interactions energy: -683.747 where: short stacking energy: -281.298 Base-Backbone interact. energy: -1.750 local terms energy: -278.350855 where: bonds (distance) C4'-P energy: -68.797 bonds (distance) P-C4' energy: -67.008 flat angles C4'-P-C4' energy: -62.603 flat angles P-C4'-P energy: -34.786 tors. eta vs tors. theta energy: -45.157 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: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -564.591245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.591245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.591245 (E_RNA) where: Base-Base interactions energy: -312.446 where: short stacking energy: -164.357 Base-Backbone interact. energy: 0.561 local terms energy: -252.706075 where: bonds (distance) C4'-P energy: -62.509 bonds (distance) P-C4' energy: -67.300 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -36.473 tors. eta vs tors. theta energy: -10.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1570.077838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.077838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.077838 (E_RNA) where: Base-Base interactions energy: -1126.290 where: short stacking energy: -458.153 Base-Backbone interact. energy: -1.759 local terms energy: -442.029406 where: bonds (distance) C4'-P energy: -74.582 bonds (distance) P-C4' energy: -97.576 flat angles C4'-P-C4' energy: -90.903 flat angles P-C4'-P energy: -61.677 tors. eta vs tors. theta energy: -117.291 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: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1496.552449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.552449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.552449 (E_RNA) where: Base-Base interactions energy: -1065.617 where: short stacking energy: -447.026 Base-Backbone interact. energy: -0.548 local terms energy: -430.388151 where: bonds (distance) C4'-P energy: -81.627 bonds (distance) P-C4' energy: -81.572 flat angles C4'-P-C4' energy: -87.429 flat angles P-C4'-P energy: -59.414 tors. eta vs tors. theta energy: -120.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1352.493631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.493631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.493631 (E_RNA) where: Base-Base interactions energy: -934.764 where: short stacking energy: -403.407 Base-Backbone interact. energy: -1.634 local terms energy: -416.095593 where: bonds (distance) C4'-P energy: -68.010 bonds (distance) P-C4' energy: -84.697 flat angles C4'-P-C4' energy: -84.572 flat angles P-C4'-P energy: -64.351 tors. eta vs tors. theta energy: -114.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1351.614839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.614839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.614839 (E_RNA) where: Base-Base interactions energy: -958.019 where: short stacking energy: -391.397 Base-Backbone interact. energy: -3.611 local terms energy: -389.985013 where: bonds (distance) C4'-P energy: -66.692 bonds (distance) P-C4' energy: -81.117 flat angles C4'-P-C4' energy: -92.778 flat angles P-C4'-P energy: -46.467 tors. eta vs tors. theta energy: -102.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1363.106440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.106440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.106440 (E_RNA) where: Base-Base interactions energy: -939.669 where: short stacking energy: -388.285 Base-Backbone interact. energy: 0.321 local terms energy: -423.758835 where: bonds (distance) C4'-P energy: -87.652 bonds (distance) P-C4' energy: -65.148 flat angles C4'-P-C4' energy: -95.200 flat angles P-C4'-P energy: -61.505 tors. eta vs tors. theta energy: -114.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1145.623082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.623082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.623082 (E_RNA) where: Base-Base interactions energy: -801.975 where: short stacking energy: -328.521 Base-Backbone interact. energy: 0.199 local terms energy: -343.847376 where: bonds (distance) C4'-P energy: -76.537 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -70.588 flat angles P-C4'-P energy: -51.286 tors. eta vs tors. theta energy: -81.468 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: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1155.110436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.110436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.110436 (E_RNA) where: Base-Base interactions energy: -780.462 where: short stacking energy: -315.799 Base-Backbone interact. energy: -0.242 local terms energy: -374.620797 where: bonds (distance) C4'-P energy: -76.239 bonds (distance) P-C4' energy: -78.251 flat angles C4'-P-C4' energy: -80.750 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -92.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.214 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1043.416811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.416811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.416811 (E_RNA) where: Base-Base interactions energy: -699.719 where: short stacking energy: -317.176 Base-Backbone interact. energy: -0.762 local terms energy: -342.936612 where: bonds (distance) C4'-P energy: -61.093 bonds (distance) P-C4' energy: -81.548 flat angles C4'-P-C4' energy: -71.520 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -82.322 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: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -923.017046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.017046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.017046 (E_RNA) where: Base-Base interactions energy: -605.150 where: short stacking energy: -256.391 Base-Backbone interact. energy: -1.832 local terms energy: -316.034859 where: bonds (distance) C4'-P energy: -62.909 bonds (distance) P-C4' energy: -80.908 flat angles C4'-P-C4' energy: -74.837 flat angles P-C4'-P energy: -51.533 tors. eta vs tors. theta energy: -45.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -579.311996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.311996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.311996 (E_RNA) where: Base-Base interactions energy: -310.185 where: short stacking energy: -169.577 Base-Backbone interact. energy: 1.080 local terms energy: -270.206820 where: bonds (distance) C4'-P energy: -58.485 bonds (distance) P-C4' energy: -77.127 flat angles C4'-P-C4' energy: -67.610 flat angles P-C4'-P energy: -43.835 tors. eta vs tors. theta energy: -23.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1555.208906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.208906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.208906 (E_RNA) where: Base-Base interactions energy: -1085.658 where: short stacking energy: -435.487 Base-Backbone interact. energy: -0.181 local terms energy: -469.369798 where: bonds (distance) C4'-P energy: -91.890 bonds (distance) P-C4' energy: -93.987 flat angles C4'-P-C4' energy: -96.471 flat angles P-C4'-P energy: -65.870 tors. eta vs tors. theta energy: -121.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1479.956612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.956612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.956612 (E_RNA) where: Base-Base interactions energy: -1063.116 where: short stacking energy: -430.266 Base-Backbone interact. energy: -3.713 local terms energy: -413.128412 where: bonds (distance) C4'-P energy: -69.196 bonds (distance) P-C4' energy: -83.861 flat angles C4'-P-C4' energy: -87.064 flat angles P-C4'-P energy: -55.691 tors. eta vs tors. theta energy: -117.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1364.643976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.643976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.643976 (E_RNA) where: Base-Base interactions energy: -928.741 where: short stacking energy: -424.156 Base-Backbone interact. energy: -0.131 local terms energy: -435.771426 where: bonds (distance) C4'-P energy: -77.234 bonds (distance) P-C4' energy: -81.297 flat angles C4'-P-C4' energy: -96.694 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -122.673 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: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1323.096061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.096061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.096061 (E_RNA) where: Base-Base interactions energy: -925.771 where: short stacking energy: -410.369 Base-Backbone interact. energy: -0.174 local terms energy: -397.150589 where: bonds (distance) C4'-P energy: -67.374 bonds (distance) P-C4' energy: -83.083 flat angles C4'-P-C4' energy: -84.866 flat angles P-C4'-P energy: -52.526 tors. eta vs tors. theta energy: -109.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1307.830371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.830371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.830371 (E_RNA) where: Base-Base interactions energy: -900.363 where: short stacking energy: -380.871 Base-Backbone interact. energy: 0.054 local terms energy: -407.521269 where: bonds (distance) C4'-P energy: -76.768 bonds (distance) P-C4' energy: -81.174 flat angles C4'-P-C4' energy: -94.373 flat angles P-C4'-P energy: -53.511 tors. eta vs tors. theta energy: -101.696 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: 312 Temperature: 1.150000 Total energy: -1207.679652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.679652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.679652 (E_RNA) where: Base-Base interactions energy: -833.904 where: short stacking energy: -340.098 Base-Backbone interact. energy: -1.674 local terms energy: -372.101173 where: bonds (distance) C4'-P energy: -78.593 bonds (distance) P-C4' energy: -71.924 flat angles C4'-P-C4' energy: -75.842 flat angles P-C4'-P energy: -61.571 tors. eta vs tors. theta energy: -84.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1172.359716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.359716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.359716 (E_RNA) where: Base-Base interactions energy: -806.125 where: short stacking energy: -337.476 Base-Backbone interact. energy: -0.195 local terms energy: -366.039927 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -73.229 flat angles C4'-P-C4' energy: -87.979 flat angles P-C4'-P energy: -50.052 tors. eta vs tors. theta energy: -78.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1066.695280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.695280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.695280 (E_RNA) where: Base-Base interactions energy: -703.386 where: short stacking energy: -321.822 Base-Backbone interact. energy: 0.044 local terms energy: -363.352708 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -63.297 flat angles C4'-P-C4' energy: -85.474 flat angles P-C4'-P energy: -66.123 tors. eta vs tors. theta energy: -79.179 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: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -902.193915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.193915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.193915 (E_RNA) where: Base-Base interactions energy: -626.666 where: short stacking energy: -262.547 Base-Backbone interact. energy: -0.128 local terms energy: -275.400161 where: bonds (distance) C4'-P energy: -56.913 bonds (distance) P-C4' energy: -67.679 flat angles C4'-P-C4' energy: -71.256 flat angles P-C4'-P energy: -23.322 tors. eta vs tors. theta energy: -56.230 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: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -543.494919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.494919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.494919 (E_RNA) where: Base-Base interactions energy: -316.183 where: short stacking energy: -145.245 Base-Backbone interact. energy: 3.348 local terms energy: -230.659889 where: bonds (distance) C4'-P energy: -70.781 bonds (distance) P-C4' energy: -67.371 flat angles C4'-P-C4' energy: -62.484 flat angles P-C4'-P energy: -38.721 tors. eta vs tors. theta energy: 8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1553.477494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.477494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.477494 (E_RNA) where: Base-Base interactions energy: -1119.542 where: short stacking energy: -455.516 Base-Backbone interact. energy: -2.910 local terms energy: -431.025534 where: bonds (distance) C4'-P energy: -67.832 bonds (distance) P-C4' energy: -91.061 flat angles C4'-P-C4' energy: -90.447 flat angles P-C4'-P energy: -60.637 tors. eta vs tors. theta energy: -121.050 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: 2, replica: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1454.789148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.789148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.789148 (E_RNA) where: Base-Base interactions energy: -1018.867 where: short stacking energy: -421.733 Base-Backbone interact. energy: -1.228 local terms energy: -434.694387 where: bonds (distance) C4'-P energy: -81.845 bonds (distance) P-C4' energy: -90.066 flat angles C4'-P-C4' energy: -92.364 flat angles P-C4'-P energy: -59.569 tors. eta vs tors. theta energy: -110.850 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: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1392.077132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.077132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.077132 (E_RNA) where: Base-Base interactions energy: -953.033 where: short stacking energy: -429.635 Base-Backbone interact. energy: -2.512 local terms energy: -436.533046 where: bonds (distance) C4'-P energy: -75.066 bonds (distance) P-C4' energy: -81.535 flat angles C4'-P-C4' energy: -91.918 flat angles P-C4'-P energy: -63.500 tors. eta vs tors. theta energy: -124.514 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: 3 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1338.766410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.766410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.766410 (E_RNA) where: Base-Base interactions energy: -922.551 where: short stacking energy: -400.462 Base-Backbone interact. energy: -0.355 local terms energy: -415.859963 where: bonds (distance) C4'-P energy: -74.025 bonds (distance) P-C4' energy: -77.016 flat angles C4'-P-C4' energy: -88.790 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -113.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1251.354621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.354621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.354621 (E_RNA) where: Base-Base interactions energy: -863.633 where: short stacking energy: -371.350 Base-Backbone interact. energy: -4.394 local terms energy: -383.327370 where: bonds (distance) C4'-P energy: -66.662 bonds (distance) P-C4' energy: -71.130 flat angles C4'-P-C4' energy: -93.063 flat angles P-C4'-P energy: -53.313 tors. eta vs tors. theta energy: -99.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1181.078330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.078330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.078330 (E_RNA) where: Base-Base interactions energy: -831.196 where: short stacking energy: -342.063 Base-Backbone interact. energy: -1.630 local terms energy: -348.252382 where: bonds (distance) C4'-P energy: -56.275 bonds (distance) P-C4' energy: -70.984 flat angles C4'-P-C4' energy: -93.537 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -81.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1172.867721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.867721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.867721 (E_RNA) where: Base-Base interactions energy: -800.896 where: short stacking energy: -343.713 Base-Backbone interact. energy: -2.453 local terms energy: -369.519116 where: bonds (distance) C4'-P energy: -80.132 bonds (distance) P-C4' energy: -69.261 flat angles C4'-P-C4' energy: -86.591 flat angles P-C4'-P energy: -53.060 tors. eta vs tors. theta energy: -80.475 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: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1054.020753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.020753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.020753 (E_RNA) where: Base-Base interactions energy: -691.730 where: short stacking energy: -296.556 Base-Backbone interact. energy: -2.388 local terms energy: -359.903076 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -75.110 flat angles C4'-P-C4' energy: -84.930 flat angles P-C4'-P energy: -51.284 tors. eta vs tors. theta energy: -70.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -920.939642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.939642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.939642 (E_RNA) where: Base-Base interactions energy: -622.423 where: short stacking energy: -261.494 Base-Backbone interact. energy: 1.567 local terms energy: -300.083432 where: bonds (distance) C4'-P energy: -64.722 bonds (distance) P-C4' energy: -70.955 flat angles C4'-P-C4' energy: -70.226 flat angles P-C4'-P energy: -48.285 tors. eta vs tors. theta energy: -45.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -546.337769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.337769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.337769 (E_RNA) where: Base-Base interactions energy: -326.664 where: short stacking energy: -153.540 Base-Backbone interact. energy: -1.491 local terms energy: -218.182556 where: bonds (distance) C4'-P energy: -71.482 bonds (distance) P-C4' energy: -53.567 flat angles C4'-P-C4' energy: -49.705 flat angles P-C4'-P energy: -38.179 tors. eta vs tors. theta energy: -5.250 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: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1523.058990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.058990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.058990 (E_RNA) where: Base-Base interactions energy: -1085.160 where: short stacking energy: -446.253 Base-Backbone interact. energy: -3.201 local terms energy: -434.698247 where: bonds (distance) C4'-P energy: -74.533 bonds (distance) P-C4' energy: -84.481 flat angles C4'-P-C4' energy: -96.378 flat angles P-C4'-P energy: -57.009 tors. eta vs tors. theta energy: -122.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1479.957370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.957370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.957370 (E_RNA) where: Base-Base interactions energy: -1029.469 where: short stacking energy: -439.611 Base-Backbone interact. energy: -5.822 local terms energy: -444.666766 where: bonds (distance) C4'-P energy: -86.945 bonds (distance) P-C4' energy: -90.347 flat angles C4'-P-C4' energy: -88.646 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -116.023 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: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1392.289974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.289974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.289974 (E_RNA) where: Base-Base interactions energy: -937.998 where: short stacking energy: -427.113 Base-Backbone interact. energy: -1.792 local terms energy: -452.500095 where: bonds (distance) C4'-P energy: -86.886 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -94.432 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: -118.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1334.280905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.280905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.280905 (E_RNA) where: Base-Base interactions energy: -907.147 where: short stacking energy: -398.591 Base-Backbone interact. energy: -1.365 local terms energy: -425.768672 where: bonds (distance) C4'-P energy: -81.651 bonds (distance) P-C4' energy: -81.989 flat angles C4'-P-C4' energy: -86.446 flat angles P-C4'-P energy: -66.221 tors. eta vs tors. theta energy: -109.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1296.658078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.658078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.658078 (E_RNA) where: Base-Base interactions energy: -905.646 where: short stacking energy: -383.455 Base-Backbone interact. energy: -0.638 local terms energy: -390.373800 where: bonds (distance) C4'-P energy: -74.535 bonds (distance) P-C4' energy: -70.786 flat angles C4'-P-C4' energy: -80.814 flat angles P-C4'-P energy: -58.602 tors. eta vs tors. theta energy: -105.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1169.417023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.417023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.417023 (E_RNA) where: Base-Base interactions energy: -800.411 where: short stacking energy: -319.727 Base-Backbone interact. energy: -1.559 local terms energy: -367.446589 where: bonds (distance) C4'-P energy: -77.968 bonds (distance) P-C4' energy: -77.883 flat angles C4'-P-C4' energy: -83.869 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -71.674 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: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1156.452802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.452802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.452802 (E_RNA) where: Base-Base interactions energy: -780.814 where: short stacking energy: -343.363 Base-Backbone interact. energy: -1.067 local terms energy: -374.571232 where: bonds (distance) C4'-P energy: -73.878 bonds (distance) P-C4' energy: -70.232 flat angles C4'-P-C4' energy: -93.197 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -87.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1094.757272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.757272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.757272 (E_RNA) where: Base-Base interactions energy: -737.781 where: short stacking energy: -350.559 Base-Backbone interact. energy: -0.638 local terms energy: -356.338122 where: bonds (distance) C4'-P energy: -62.316 bonds (distance) P-C4' energy: -82.806 flat angles C4'-P-C4' energy: -74.864 flat angles P-C4'-P energy: -47.021 tors. eta vs tors. theta energy: -89.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -824.340438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.340438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.340438 (E_RNA) where: Base-Base interactions energy: -529.221 where: short stacking energy: -235.098 Base-Backbone interact. energy: -2.768 local terms energy: -292.351122 where: bonds (distance) C4'-P energy: -79.058 bonds (distance) P-C4' energy: -74.974 flat angles C4'-P-C4' energy: -59.275 flat angles P-C4'-P energy: -33.278 tors. eta vs tors. theta energy: -45.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -531.192982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.192982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.192982 (E_RNA) where: Base-Base interactions energy: -297.358 where: short stacking energy: -138.804 Base-Backbone interact. energy: -1.461 local terms energy: -232.374143 where: bonds (distance) C4'-P energy: -72.230 bonds (distance) P-C4' energy: -78.542 flat angles C4'-P-C4' energy: -49.545 flat angles P-C4'-P energy: -33.562 tors. eta vs tors. theta energy: 1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1518.391530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.391530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.391530 (E_RNA) where: Base-Base interactions energy: -1087.728 where: short stacking energy: -418.157 Base-Backbone interact. energy: 1.725 local terms energy: -432.387646 where: bonds (distance) C4'-P energy: -75.210 bonds (distance) P-C4' energy: -82.101 flat angles C4'-P-C4' energy: -95.325 flat angles P-C4'-P energy: -62.482 tors. eta vs tors. theta energy: -117.270 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: 315 Temperature: 0.950000 Total energy: -1446.569374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.569374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.569374 (E_RNA) where: Base-Base interactions energy: -1013.580 where: short stacking energy: -433.233 Base-Backbone interact. energy: -2.593 local terms energy: -430.396755 where: bonds (distance) C4'-P energy: -87.480 bonds (distance) P-C4' energy: -86.779 flat angles C4'-P-C4' energy: -94.668 flat angles P-C4'-P energy: -48.158 tors. eta vs tors. theta energy: -113.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1395.433046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.433046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.433046 (E_RNA) where: Base-Base interactions energy: -943.117 where: short stacking energy: -408.204 Base-Backbone interact. energy: -1.464 local terms energy: -450.852867 where: bonds (distance) C4'-P energy: -74.729 bonds (distance) P-C4' energy: -85.727 flat angles C4'-P-C4' energy: -94.234 flat angles P-C4'-P energy: -69.347 tors. eta vs tors. theta energy: -126.816 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: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1332.522191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.522191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.522191 (E_RNA) where: Base-Base interactions energy: -903.327 where: short stacking energy: -394.149 Base-Backbone interact. energy: -1.326 local terms energy: -427.869666 where: bonds (distance) C4'-P energy: -79.066 bonds (distance) P-C4' energy: -81.781 flat angles C4'-P-C4' energy: -98.155 flat angles P-C4'-P energy: -55.606 tors. eta vs tors. theta energy: -113.262 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: 9 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1291.978670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.978670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.978670 (E_RNA) where: Base-Base interactions energy: -894.839 where: short stacking energy: -386.165 Base-Backbone interact. energy: 2.355 local terms energy: -399.494811 where: bonds (distance) C4'-P energy: -86.715 bonds (distance) P-C4' energy: -82.315 flat angles C4'-P-C4' energy: -78.013 flat angles P-C4'-P energy: -44.153 tors. eta vs tors. theta energy: -108.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1178.249997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.249997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.249997 (E_RNA) where: Base-Base interactions energy: -816.454 where: short stacking energy: -343.995 Base-Backbone interact. energy: -3.456 local terms energy: -358.339955 where: bonds (distance) C4'-P energy: -69.004 bonds (distance) P-C4' energy: -81.460 flat angles C4'-P-C4' energy: -87.850 flat angles P-C4'-P energy: -47.517 tors. eta vs tors. theta energy: -72.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1150.722069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.722069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.722069 (E_RNA) where: Base-Base interactions energy: -805.095 where: short stacking energy: -347.379 Base-Backbone interact. energy: -2.622 local terms energy: -343.004728 where: bonds (distance) C4'-P energy: -74.264 bonds (distance) P-C4' energy: -59.170 flat angles C4'-P-C4' energy: -76.908 flat angles P-C4'-P energy: -48.775 tors. eta vs tors. theta energy: -83.888 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: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1046.389392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.389392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.389392 (E_RNA) where: Base-Base interactions energy: -688.000 where: short stacking energy: -296.481 Base-Backbone interact. energy: -1.095 local terms energy: -357.294973 where: bonds (distance) C4'-P energy: -64.609 bonds (distance) P-C4' energy: -76.154 flat angles C4'-P-C4' energy: -79.234 flat angles P-C4'-P energy: -52.158 tors. eta vs tors. theta energy: -85.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -836.313610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.313610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.313610 (E_RNA) where: Base-Base interactions energy: -530.227 where: short stacking energy: -217.995 Base-Backbone interact. energy: -2.052 local terms energy: -304.034831 where: bonds (distance) C4'-P energy: -77.029 bonds (distance) P-C4' energy: -81.475 flat angles C4'-P-C4' energy: -68.743 flat angles P-C4'-P energy: -43.020 tors. eta vs tors. theta energy: -33.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -518.297593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.297593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.297593 (E_RNA) where: Base-Base interactions energy: -296.748 where: short stacking energy: -161.222 Base-Backbone interact. energy: 1.736 local terms energy: -223.285238 where: bonds (distance) C4'-P energy: -66.696 bonds (distance) P-C4' energy: -65.122 flat angles C4'-P-C4' energy: -58.361 flat angles P-C4'-P energy: -31.219 tors. eta vs tors. theta energy: -1.888 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: 316 Temperature: 0.900000 Total energy: -1522.190214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.190214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.190214 (E_RNA) where: Base-Base interactions energy: -1066.233 where: short stacking energy: -421.136 Base-Backbone interact. energy: -3.506 local terms energy: -452.451433 where: bonds (distance) C4'-P energy: -91.880 bonds (distance) P-C4' energy: -81.255 flat angles C4'-P-C4' energy: -98.367 flat angles P-C4'-P energy: -58.501 tors. eta vs tors. theta energy: -122.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1459.700947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.700947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.700947 (E_RNA) where: Base-Base interactions energy: -1023.203 where: short stacking energy: -428.598 Base-Backbone interact. energy: 3.150 local terms energy: -439.647876 where: bonds (distance) C4'-P energy: -81.281 bonds (distance) P-C4' energy: -87.181 flat angles C4'-P-C4' energy: -94.463 flat angles P-C4'-P energy: -60.191 tors. eta vs tors. theta energy: -116.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1399.070546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.070546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.070546 (E_RNA) where: Base-Base interactions energy: -969.835 where: short stacking energy: -427.514 Base-Backbone interact. energy: 0.896 local terms energy: -430.131921 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -89.984 flat angles C4'-P-C4' energy: -88.072 flat angles P-C4'-P energy: -64.445 tors. eta vs tors. theta energy: -122.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1348.994265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.994265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.994265 (E_RNA) where: Base-Base interactions energy: -946.022 where: short stacking energy: -421.620 Base-Backbone interact. energy: 2.429 local terms energy: -405.401927 where: bonds (distance) C4'-P energy: -74.849 bonds (distance) P-C4' energy: -76.508 flat angles C4'-P-C4' energy: -87.154 flat angles P-C4'-P energy: -58.804 tors. eta vs tors. theta energy: -108.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1286.597383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.597383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.597383 (E_RNA) where: Base-Base interactions energy: -888.074 where: short stacking energy: -373.869 Base-Backbone interact. energy: -0.707 local terms energy: -397.816142 where: bonds (distance) C4'-P energy: -71.958 bonds (distance) P-C4' energy: -78.667 flat angles C4'-P-C4' energy: -84.803 flat angles P-C4'-P energy: -63.876 tors. eta vs tors. theta energy: -98.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1183.384344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.384344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.384344 (E_RNA) where: Base-Base interactions energy: -799.422 where: short stacking energy: -335.099 Base-Backbone interact. energy: -1.599 local terms energy: -382.363354 where: bonds (distance) C4'-P energy: -75.691 bonds (distance) P-C4' energy: -86.458 flat angles C4'-P-C4' energy: -88.781 flat angles P-C4'-P energy: -46.633 tors. eta vs tors. theta energy: -84.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1167.390709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.390709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.390709 (E_RNA) where: Base-Base interactions energy: -803.876 where: short stacking energy: -348.371 Base-Backbone interact. energy: -2.852 local terms energy: -360.662762 where: bonds (distance) C4'-P energy: -65.082 bonds (distance) P-C4' energy: -70.488 flat angles C4'-P-C4' energy: -81.738 flat angles P-C4'-P energy: -46.592 tors. eta vs tors. theta energy: -96.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1050.793792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.793792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.793792 (E_RNA) where: Base-Base interactions energy: -698.938 where: short stacking energy: -300.890 Base-Backbone interact. energy: 1.555 local terms energy: -353.410554 where: bonds (distance) C4'-P energy: -65.454 bonds (distance) P-C4' energy: -75.783 flat angles C4'-P-C4' energy: -88.679 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -69.153 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: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -846.454643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.454643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.454643 (E_RNA) where: Base-Base interactions energy: -548.069 where: short stacking energy: -227.361 Base-Backbone interact. energy: 1.331 local terms energy: -299.717066 where: bonds (distance) C4'-P energy: -59.178 bonds (distance) P-C4' energy: -80.797 flat angles C4'-P-C4' energy: -76.360 flat angles P-C4'-P energy: -36.049 tors. eta vs tors. theta energy: -47.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -544.443148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.443148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.443148 (E_RNA) where: Base-Base interactions energy: -312.210 where: short stacking energy: -152.457 Base-Backbone interact. energy: -0.581 local terms energy: -231.652510 where: bonds (distance) C4'-P energy: -69.152 bonds (distance) P-C4' energy: -60.473 flat angles C4'-P-C4' energy: -58.883 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1528.153427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.153427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.153427 (E_RNA) where: Base-Base interactions energy: -1084.733 where: short stacking energy: -445.876 Base-Backbone interact. energy: -1.892 local terms energy: -441.528756 where: bonds (distance) C4'-P energy: -80.527 bonds (distance) P-C4' energy: -90.898 flat angles C4'-P-C4' energy: -89.170 flat angles P-C4'-P energy: -56.658 tors. eta vs tors. theta energy: -124.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1447.071218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.071218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.071218 (E_RNA) where: Base-Base interactions energy: -1029.323 where: short stacking energy: -436.341 Base-Backbone interact. energy: -3.050 local terms energy: -414.697991 where: bonds (distance) C4'-P energy: -79.542 bonds (distance) P-C4' energy: -77.760 flat angles C4'-P-C4' energy: -81.278 flat angles P-C4'-P energy: -56.284 tors. eta vs tors. theta energy: -119.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1382.910163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.910163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.910163 (E_RNA) where: Base-Base interactions energy: -948.405 where: short stacking energy: -426.541 Base-Backbone interact. energy: -1.220 local terms energy: -433.284233 where: bonds (distance) C4'-P energy: -73.601 bonds (distance) P-C4' energy: -79.593 flat angles C4'-P-C4' energy: -96.416 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: -116.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1369.963973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.963973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.963973 (E_RNA) where: Base-Base interactions energy: -952.163 where: short stacking energy: -397.955 Base-Backbone interact. energy: -3.495 local terms energy: -414.305958 where: bonds (distance) C4'-P energy: -77.302 bonds (distance) P-C4' energy: -76.768 flat angles C4'-P-C4' energy: -87.221 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -109.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1300.900052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.900052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.900052 (E_RNA) where: Base-Base interactions energy: -906.516 where: short stacking energy: -371.867 Base-Backbone interact. energy: -1.276 local terms energy: -393.108721 where: bonds (distance) C4'-P energy: -73.147 bonds (distance) P-C4' energy: -75.022 flat angles C4'-P-C4' energy: -79.419 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -106.527 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: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1188.804119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.804119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.804119 (E_RNA) where: Base-Base interactions energy: -807.234 where: short stacking energy: -342.285 Base-Backbone interact. energy: -0.366 local terms energy: -381.203837 where: bonds (distance) C4'-P energy: -70.981 bonds (distance) P-C4' energy: -74.871 flat angles C4'-P-C4' energy: -83.166 flat angles P-C4'-P energy: -60.401 tors. eta vs tors. theta energy: -91.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1161.578784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.578784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.578784 (E_RNA) where: Base-Base interactions energy: -786.382 where: short stacking energy: -333.376 Base-Backbone interact. energy: -0.708 local terms energy: -374.488908 where: bonds (distance) C4'-P energy: -76.452 bonds (distance) P-C4' energy: -86.365 flat angles C4'-P-C4' energy: -81.828 flat angles P-C4'-P energy: -49.666 tors. eta vs tors. theta energy: -80.178 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: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1022.560388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.560388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.560388 (E_RNA) where: Base-Base interactions energy: -693.418 where: short stacking energy: -317.129 Base-Backbone interact. energy: -0.196 local terms energy: -332.567271 where: bonds (distance) C4'-P energy: -58.280 bonds (distance) P-C4' energy: -73.171 flat angles C4'-P-C4' energy: -73.815 flat angles P-C4'-P energy: -46.058 tors. eta vs tors. theta energy: -81.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.621 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -798.571125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.571125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.571125 (E_RNA) where: Base-Base interactions energy: -525.701 where: short stacking energy: -228.078 Base-Backbone interact. energy: -1.920 local terms energy: -270.950108 where: bonds (distance) C4'-P energy: -61.856 bonds (distance) P-C4' energy: -62.559 flat angles C4'-P-C4' energy: -74.102 flat angles P-C4'-P energy: -35.681 tors. eta vs tors. theta energy: -36.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -507.849509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.849509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.849509 (E_RNA) where: Base-Base interactions energy: -261.757 where: short stacking energy: -136.669 Base-Backbone interact. energy: -0.487 local terms energy: -245.605515 where: bonds (distance) C4'-P energy: -63.063 bonds (distance) P-C4' energy: -75.165 flat angles C4'-P-C4' energy: -64.708 flat angles P-C4'-P energy: -44.238 tors. eta vs tors. theta energy: 1.569 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: 318 Temperature: 0.900000 Total energy: -1549.078237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.078237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.078237 (E_RNA) where: Base-Base interactions energy: -1106.482 where: short stacking energy: -436.303 Base-Backbone interact. energy: -2.471 local terms energy: -440.126099 where: bonds (distance) C4'-P energy: -86.253 bonds (distance) P-C4' energy: -81.935 flat angles C4'-P-C4' energy: -90.508 flat angles P-C4'-P energy: -59.909 tors. eta vs tors. theta energy: -121.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1472.037328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.037328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.037328 (E_RNA) where: Base-Base interactions energy: -1016.749 where: short stacking energy: -420.071 Base-Backbone interact. energy: -2.881 local terms energy: -452.407565 where: bonds (distance) C4'-P energy: -80.398 bonds (distance) P-C4' energy: -93.147 flat angles C4'-P-C4' energy: -97.392 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -117.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1363.425333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.425333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.425333 (E_RNA) where: Base-Base interactions energy: -932.608 where: short stacking energy: -412.686 Base-Backbone interact. energy: 2.783 local terms energy: -433.600871 where: bonds (distance) C4'-P energy: -75.563 bonds (distance) P-C4' energy: -85.477 flat angles C4'-P-C4' energy: -90.595 flat angles P-C4'-P energy: -63.515 tors. eta vs tors. theta energy: -118.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1362.151784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.151784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.151784 (E_RNA) where: Base-Base interactions energy: -945.776 where: short stacking energy: -397.509 Base-Backbone interact. energy: -1.078 local terms energy: -415.297449 where: bonds (distance) C4'-P energy: -77.941 bonds (distance) P-C4' energy: -78.817 flat angles C4'-P-C4' energy: -84.590 flat angles P-C4'-P energy: -61.239 tors. eta vs tors. theta energy: -112.711 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: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1242.748697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.748697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.748697 (E_RNA) where: Base-Base interactions energy: -831.956 where: short stacking energy: -346.391 Base-Backbone interact. energy: -1.148 local terms energy: -409.645037 where: bonds (distance) C4'-P energy: -71.892 bonds (distance) P-C4' energy: -82.268 flat angles C4'-P-C4' energy: -93.771 flat angles P-C4'-P energy: -62.778 tors. eta vs tors. theta energy: -98.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1273.850984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.850984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.850984 (E_RNA) where: Base-Base interactions energy: -880.794 where: short stacking energy: -369.364 Base-Backbone interact. energy: 0.890 local terms energy: -393.946575 where: bonds (distance) C4'-P energy: -80.806 bonds (distance) P-C4' energy: -66.649 flat angles C4'-P-C4' energy: -84.894 flat angles P-C4'-P energy: -54.585 tors. eta vs tors. theta energy: -107.013 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: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1135.203739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.203739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.203739 (E_RNA) where: Base-Base interactions energy: -786.909 where: short stacking energy: -320.432 Base-Backbone interact. energy: 0.696 local terms energy: -348.990880 where: bonds (distance) C4'-P energy: -72.713 bonds (distance) P-C4' energy: -80.143 flat angles C4'-P-C4' energy: -80.803 flat angles P-C4'-P energy: -41.197 tors. eta vs tors. theta energy: -74.135 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: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -982.498567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.498567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.498567 (E_RNA) where: Base-Base interactions energy: -662.104 where: short stacking energy: -284.459 Base-Backbone interact. energy: -1.559 local terms energy: -318.835404 where: bonds (distance) C4'-P energy: -44.866 bonds (distance) P-C4' energy: -65.718 flat angles C4'-P-C4' energy: -84.506 flat angles P-C4'-P energy: -58.145 tors. eta vs tors. theta energy: -65.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -811.153846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.153846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.153846 (E_RNA) where: Base-Base interactions energy: -533.515 where: short stacking energy: -204.629 Base-Backbone interact. energy: -2.510 local terms energy: -275.129328 where: bonds (distance) C4'-P energy: -58.280 bonds (distance) P-C4' energy: -76.384 flat angles C4'-P-C4' energy: -63.184 flat angles P-C4'-P energy: -51.092 tors. eta vs tors. theta energy: -26.189 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: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -528.083438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.083438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.083438 (E_RNA) where: Base-Base interactions energy: -296.998 where: short stacking energy: -166.210 Base-Backbone interact. energy: 1.252 local terms energy: -232.338122 where: bonds (distance) C4'-P energy: -54.280 bonds (distance) P-C4' energy: -63.782 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -20.937 tors. eta vs tors. theta energy: -20.837 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: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1559.522790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.522790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.522790 (E_RNA) where: Base-Base interactions energy: -1110.734 where: short stacking energy: -429.693 Base-Backbone interact. energy: -1.121 local terms energy: -447.668508 where: bonds (distance) C4'-P energy: -88.237 bonds (distance) P-C4' energy: -88.963 flat angles C4'-P-C4' energy: -96.433 flat angles P-C4'-P energy: -57.062 tors. eta vs tors. theta energy: -116.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1454.899617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.899617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.899617 (E_RNA) where: Base-Base interactions energy: -1011.432 where: short stacking energy: -420.006 Base-Backbone interact. energy: -2.060 local terms energy: -441.407526 where: bonds (distance) C4'-P energy: -81.986 bonds (distance) P-C4' energy: -85.447 flat angles C4'-P-C4' energy: -99.493 flat angles P-C4'-P energy: -56.314 tors. eta vs tors. theta energy: -118.167 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: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1395.421667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.421667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.421667 (E_RNA) where: Base-Base interactions energy: -942.878 where: short stacking energy: -422.226 Base-Backbone interact. energy: -2.399 local terms energy: -450.145014 where: bonds (distance) C4'-P energy: -86.964 bonds (distance) P-C4' energy: -82.292 flat angles C4'-P-C4' energy: -93.618 flat angles P-C4'-P energy: -70.313 tors. eta vs tors. theta energy: -116.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1344.102630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.102630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.102630 (E_RNA) where: Base-Base interactions energy: -941.078 where: short stacking energy: -397.993 Base-Backbone interact. energy: -1.084 local terms energy: -401.940260 where: bonds (distance) C4'-P energy: -66.718 bonds (distance) P-C4' energy: -87.203 flat angles C4'-P-C4' energy: -91.060 flat angles P-C4'-P energy: -51.581 tors. eta vs tors. theta energy: -105.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1247.529368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.529368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.529368 (E_RNA) where: Base-Base interactions energy: -869.026 where: short stacking energy: -369.863 Base-Backbone interact. energy: -0.500 local terms energy: -378.003832 where: bonds (distance) C4'-P energy: -75.055 bonds (distance) P-C4' energy: -68.233 flat angles C4'-P-C4' energy: -81.188 flat angles P-C4'-P energy: -52.291 tors. eta vs tors. theta energy: -101.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1261.364550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.364550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.364550 (E_RNA) where: Base-Base interactions energy: -861.040 where: short stacking energy: -356.121 Base-Backbone interact. energy: -2.221 local terms energy: -398.103637 where: bonds (distance) C4'-P energy: -55.909 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -86.612 flat angles P-C4'-P energy: -53.525 tors. eta vs tors. theta energy: -108.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1138.011187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.011187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.011187 (E_RNA) where: Base-Base interactions energy: -782.591 where: short stacking energy: -320.560 Base-Backbone interact. energy: -1.469 local terms energy: -353.950438 where: bonds (distance) C4'-P energy: -70.680 bonds (distance) P-C4' energy: -66.609 flat angles C4'-P-C4' energy: -87.067 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -84.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1000.471901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.471901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.471901 (E_RNA) where: Base-Base interactions energy: -657.728 where: short stacking energy: -295.019 Base-Backbone interact. energy: -0.811 local terms energy: -341.933251 where: bonds (distance) C4'-P energy: -72.305 bonds (distance) P-C4' energy: -76.358 flat angles C4'-P-C4' energy: -73.591 flat angles P-C4'-P energy: -51.247 tors. eta vs tors. theta energy: -68.433 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: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -864.637191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.637191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.637191 (E_RNA) where: Base-Base interactions energy: -558.532 where: short stacking energy: -261.767 Base-Backbone interact. energy: -1.994 local terms energy: -304.110598 where: bonds (distance) C4'-P energy: -60.168 bonds (distance) P-C4' energy: -74.870 flat angles C4'-P-C4' energy: -78.256 flat angles P-C4'-P energy: -50.741 tors. eta vs tors. theta energy: -40.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -558.413214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.413214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.413214 (E_RNA) where: Base-Base interactions energy: -276.853 where: short stacking energy: -156.427 Base-Backbone interact. energy: 2.061 local terms energy: -283.620452 where: bonds (distance) C4'-P energy: -78.096 bonds (distance) P-C4' energy: -75.002 flat angles C4'-P-C4' energy: -78.186 flat angles P-C4'-P energy: -26.863 tors. eta vs tors. theta energy: -25.474 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: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1555.222693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.222693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.222693 (E_RNA) where: Base-Base interactions energy: -1113.433 where: short stacking energy: -430.268 Base-Backbone interact. energy: -3.093 local terms energy: -438.696581 where: bonds (distance) C4'-P energy: -81.924 bonds (distance) P-C4' energy: -89.148 flat angles C4'-P-C4' energy: -91.597 flat angles P-C4'-P energy: -55.090 tors. eta vs tors. theta energy: -120.938 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: 320 Temperature: 0.950000 Total energy: -1441.586677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.586677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.586677 (E_RNA) where: Base-Base interactions energy: -1024.263 where: short stacking energy: -406.506 Base-Backbone interact. energy: -0.602 local terms energy: -416.722473 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -85.265 flat angles C4'-P-C4' energy: -92.388 flat angles P-C4'-P energy: -57.201 tors. eta vs tors. theta energy: -101.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1386.388813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.388813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.388813 (E_RNA) where: Base-Base interactions energy: -972.220 where: short stacking energy: -427.516 Base-Backbone interact. energy: -0.418 local terms energy: -413.750616 where: bonds (distance) C4'-P energy: -72.647 bonds (distance) P-C4' energy: -74.037 flat angles C4'-P-C4' energy: -92.853 flat angles P-C4'-P energy: -60.185 tors. eta vs tors. theta energy: -114.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1347.309112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.309112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.309112 (E_RNA) where: Base-Base interactions energy: -926.634 where: short stacking energy: -397.534 Base-Backbone interact. energy: 0.729 local terms energy: -421.404343 where: bonds (distance) C4'-P energy: -72.899 bonds (distance) P-C4' energy: -94.677 flat angles C4'-P-C4' energy: -89.205 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: -103.496 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: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1278.466910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.466910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.466910 (E_RNA) where: Base-Base interactions energy: -870.529 where: short stacking energy: -373.298 Base-Backbone interact. energy: 0.250 local terms energy: -408.187295 where: bonds (distance) C4'-P energy: -77.101 bonds (distance) P-C4' energy: -87.634 flat angles C4'-P-C4' energy: -79.403 flat angles P-C4'-P energy: -64.307 tors. eta vs tors. theta energy: -99.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1192.897329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.897329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.897329 (E_RNA) where: Base-Base interactions energy: -847.761 where: short stacking energy: -348.935 Base-Backbone interact. energy: -1.486 local terms energy: -343.650137 where: bonds (distance) C4'-P energy: -54.264 bonds (distance) P-C4' energy: -70.205 flat angles C4'-P-C4' energy: -86.416 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -86.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1032.159575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.159575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.159575 (E_RNA) where: Base-Base interactions energy: -685.587 where: short stacking energy: -317.511 Base-Backbone interact. energy: 1.113 local terms energy: -347.685269 where: bonds (distance) C4'-P energy: -66.220 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -83.852 flat angles P-C4'-P energy: -44.497 tors. eta vs tors. theta energy: -74.950 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: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1131.654315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.654315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.654315 (E_RNA) where: Base-Base interactions energy: -793.404 where: short stacking energy: -327.662 Base-Backbone interact. energy: -2.309 local terms energy: -335.940875 where: bonds (distance) C4'-P energy: -62.336 bonds (distance) P-C4' energy: -80.392 flat angles C4'-P-C4' energy: -72.770 flat angles P-C4'-P energy: -37.012 tors. eta vs tors. theta energy: -83.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -841.743073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.743073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.743073 (E_RNA) where: Base-Base interactions energy: -553.239 where: short stacking energy: -249.810 Base-Backbone interact. energy: 0.383 local terms energy: -288.886879 where: bonds (distance) C4'-P energy: -87.997 bonds (distance) P-C4' energy: -54.723 flat angles C4'-P-C4' energy: -61.957 flat angles P-C4'-P energy: -40.847 tors. eta vs tors. theta energy: -43.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -534.420980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.420980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.420980 (E_RNA) where: Base-Base interactions energy: -286.507 where: short stacking energy: -164.213 Base-Backbone interact. energy: 0.841 local terms energy: -248.755073 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -73.589 flat angles C4'-P-C4' energy: -72.427 flat angles P-C4'-P energy: -30.836 tors. eta vs tors. theta energy: -12.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1554.136991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.136991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.136991 (E_RNA) where: Base-Base interactions energy: -1108.325 where: short stacking energy: -427.903 Base-Backbone interact. energy: -1.844 local terms energy: -443.967496 where: bonds (distance) C4'-P energy: -69.412 bonds (distance) P-C4' energy: -88.775 flat angles C4'-P-C4' energy: -103.777 flat angles P-C4'-P energy: -57.655 tors. eta vs tors. theta energy: -124.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1461.647916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.647916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.647916 (E_RNA) where: Base-Base interactions energy: -1006.213 where: short stacking energy: -414.570 Base-Backbone interact. energy: -4.868 local terms energy: -450.566444 where: bonds (distance) C4'-P energy: -87.353 bonds (distance) P-C4' energy: -90.709 flat angles C4'-P-C4' energy: -95.342 flat angles P-C4'-P energy: -66.620 tors. eta vs tors. theta energy: -110.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1407.703181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.703181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.703181 (E_RNA) where: Base-Base interactions energy: -943.076 where: short stacking energy: -418.158 Base-Backbone interact. energy: -3.213 local terms energy: -461.414360 where: bonds (distance) C4'-P energy: -83.632 bonds (distance) P-C4' energy: -84.712 flat angles C4'-P-C4' energy: -96.664 flat angles P-C4'-P energy: -73.081 tors. eta vs tors. theta energy: -123.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1328.174771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.174771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.174771 (E_RNA) where: Base-Base interactions energy: -921.459 where: short stacking energy: -388.853 Base-Backbone interact. energy: 4.819 local terms energy: -411.817613 where: bonds (distance) C4'-P energy: -79.738 bonds (distance) P-C4' energy: -85.901 flat angles C4'-P-C4' energy: -86.884 flat angles P-C4'-P energy: -48.955 tors. eta vs tors. theta energy: -110.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.283 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1279.731296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.731296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.731296 (E_RNA) where: Base-Base interactions energy: -882.909 where: short stacking energy: -379.350 Base-Backbone interact. energy: 0.273 local terms energy: -399.304856 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -84.444 flat angles C4'-P-C4' energy: -84.574 flat angles P-C4'-P energy: -48.251 tors. eta vs tors. theta energy: -105.960 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: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1243.969877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.969877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.969877 (E_RNA) where: Base-Base interactions energy: -863.939 where: short stacking energy: -352.930 Base-Backbone interact. energy: 1.779 local terms energy: -381.809475 where: bonds (distance) C4'-P energy: -60.521 bonds (distance) P-C4' energy: -81.208 flat angles C4'-P-C4' energy: -79.453 flat angles P-C4'-P energy: -52.019 tors. eta vs tors. theta energy: -108.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1066.345482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.345482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.345482 (E_RNA) where: Base-Base interactions energy: -702.339 where: short stacking energy: -314.640 Base-Backbone interact. energy: -0.374 local terms energy: -363.632642 where: bonds (distance) C4'-P energy: -74.244 bonds (distance) P-C4' energy: -70.117 flat angles C4'-P-C4' energy: -80.930 flat angles P-C4'-P energy: -64.154 tors. eta vs tors. theta energy: -74.188 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: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1093.125067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.125067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.125067 (E_RNA) where: Base-Base interactions energy: -730.656 where: short stacking energy: -297.956 Base-Backbone interact. energy: -3.016 local terms energy: -359.453181 where: bonds (distance) C4'-P energy: -68.276 bonds (distance) P-C4' energy: -92.291 flat angles C4'-P-C4' energy: -69.633 flat angles P-C4'-P energy: -56.401 tors. eta vs tors. theta energy: -72.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -837.915285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.915285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.915285 (E_RNA) where: Base-Base interactions energy: -578.318 where: short stacking energy: -246.376 Base-Backbone interact. energy: -1.936 local terms energy: -257.661216 where: bonds (distance) C4'-P energy: -57.857 bonds (distance) P-C4' energy: -55.692 flat angles C4'-P-C4' energy: -68.054 flat angles P-C4'-P energy: -29.127 tors. eta vs tors. theta energy: -46.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -561.175999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.175999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.175999 (E_RNA) where: Base-Base interactions energy: -304.124 where: short stacking energy: -161.660 Base-Backbone interact. energy: 4.248 local terms energy: -261.299821 where: bonds (distance) C4'-P energy: -77.691 bonds (distance) P-C4' energy: -63.278 flat angles C4'-P-C4' energy: -68.413 flat angles P-C4'-P energy: -40.971 tors. eta vs tors. theta energy: -10.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1550.370806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.370806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.370806 (E_RNA) where: Base-Base interactions energy: -1107.911 where: short stacking energy: -454.276 Base-Backbone interact. energy: -2.299 local terms energy: -440.160412 where: bonds (distance) C4'-P energy: -82.903 bonds (distance) P-C4' energy: -91.254 flat angles C4'-P-C4' energy: -91.064 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -117.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1452.729455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.729455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.729455 (E_RNA) where: Base-Base interactions energy: -1019.543 where: short stacking energy: -420.991 Base-Backbone interact. energy: -2.219 local terms energy: -430.966822 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -89.716 flat angles C4'-P-C4' energy: -85.269 flat angles P-C4'-P energy: -58.124 tors. eta vs tors. theta energy: -117.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1387.429592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.429592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.429592 (E_RNA) where: Base-Base interactions energy: -943.469 where: short stacking energy: -437.076 Base-Backbone interact. energy: -1.796 local terms energy: -442.163822 where: bonds (distance) C4'-P energy: -75.656 bonds (distance) P-C4' energy: -82.100 flat angles C4'-P-C4' energy: -99.973 flat angles P-C4'-P energy: -66.073 tors. eta vs tors. theta energy: -118.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1349.960462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.960462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.960462 (E_RNA) where: Base-Base interactions energy: -916.247 where: short stacking energy: -400.584 Base-Backbone interact. energy: 0.299 local terms energy: -434.012585 where: bonds (distance) C4'-P energy: -91.659 bonds (distance) P-C4' energy: -82.919 flat angles C4'-P-C4' energy: -85.736 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: -119.034 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: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1288.074414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.074414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.074414 (E_RNA) where: Base-Base interactions energy: -887.062 where: short stacking energy: -377.884 Base-Backbone interact. energy: 0.314 local terms energy: -401.325705 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -77.721 flat angles C4'-P-C4' energy: -86.920 flat angles P-C4'-P energy: -56.872 tors. eta vs tors. theta energy: -105.580 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: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1244.644931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.644931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.644931 (E_RNA) where: Base-Base interactions energy: -857.454 where: short stacking energy: -386.276 Base-Backbone interact. energy: -2.224 local terms energy: -384.966786 where: bonds (distance) C4'-P energy: -72.607 bonds (distance) P-C4' energy: -74.282 flat angles C4'-P-C4' energy: -85.329 flat angles P-C4'-P energy: -60.387 tors. eta vs tors. theta energy: -92.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1147.224541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.224541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.224541 (E_RNA) where: Base-Base interactions energy: -767.385 where: short stacking energy: -314.928 Base-Backbone interact. energy: -3.573 local terms energy: -376.267359 where: bonds (distance) C4'-P energy: -81.849 bonds (distance) P-C4' energy: -74.973 flat angles C4'-P-C4' energy: -84.970 flat angles P-C4'-P energy: -55.548 tors. eta vs tors. theta energy: -78.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1005.726514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.726514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.726514 (E_RNA) where: Base-Base interactions energy: -681.171 where: short stacking energy: -299.519 Base-Backbone interact. energy: 0.836 local terms energy: -325.391721 where: bonds (distance) C4'-P energy: -65.809 bonds (distance) P-C4' energy: -72.248 flat angles C4'-P-C4' energy: -69.656 flat angles P-C4'-P energy: -40.235 tors. eta vs tors. theta energy: -77.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -812.978367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.978367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.978367 (E_RNA) where: Base-Base interactions energy: -513.479 where: short stacking energy: -226.510 Base-Backbone interact. energy: 2.348 local terms energy: -301.846722 where: bonds (distance) C4'-P energy: -52.998 bonds (distance) P-C4' energy: -86.272 flat angles C4'-P-C4' energy: -83.506 flat angles P-C4'-P energy: -39.807 tors. eta vs tors. theta energy: -39.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -503.411753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.411753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.411753 (E_RNA) where: Base-Base interactions energy: -267.860 where: short stacking energy: -135.787 Base-Backbone interact. energy: -1.385 local terms energy: -234.167400 where: bonds (distance) C4'-P energy: -67.997 bonds (distance) P-C4' energy: -72.960 flat angles C4'-P-C4' energy: -52.298 flat angles P-C4'-P energy: -46.521 tors. eta vs tors. theta energy: 5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1543.776828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.776828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.776828 (E_RNA) where: Base-Base interactions energy: -1080.694 where: short stacking energy: -430.137 Base-Backbone interact. energy: 1.636 local terms energy: -465.024232 where: bonds (distance) C4'-P energy: -89.851 bonds (distance) P-C4' energy: -88.945 flat angles C4'-P-C4' energy: -101.703 flat angles P-C4'-P energy: -59.757 tors. eta vs tors. theta energy: -124.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.305 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1427.623665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.623665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.623665 (E_RNA) where: Base-Base interactions energy: -979.129 where: short stacking energy: -442.452 Base-Backbone interact. energy: -1.397 local terms energy: -447.097812 where: bonds (distance) C4'-P energy: -84.897 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -98.883 flat angles P-C4'-P energy: -63.383 tors. eta vs tors. theta energy: -129.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1426.857511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.857511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.857511 (E_RNA) where: Base-Base interactions energy: -1018.605 where: short stacking energy: -408.576 Base-Backbone interact. energy: -0.946 local terms energy: -407.306248 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -75.767 flat angles C4'-P-C4' energy: -91.486 flat angles P-C4'-P energy: -68.348 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: 4, replica: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1336.036974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.036974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.036974 (E_RNA) where: Base-Base interactions energy: -911.248 where: short stacking energy: -408.668 Base-Backbone interact. energy: -0.697 local terms energy: -424.091834 where: bonds (distance) C4'-P energy: -75.416 bonds (distance) P-C4' energy: -80.415 flat angles C4'-P-C4' energy: -90.371 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: -124.217 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: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1288.956732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.956732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.956732 (E_RNA) where: Base-Base interactions energy: -886.288 where: short stacking energy: -385.145 Base-Backbone interact. energy: -1.554 local terms energy: -401.114488 where: bonds (distance) C4'-P energy: -74.621 bonds (distance) P-C4' energy: -81.533 flat angles C4'-P-C4' energy: -85.897 flat angles P-C4'-P energy: -48.822 tors. eta vs tors. theta energy: -110.241 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: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1227.779513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.779513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.779513 (E_RNA) where: Base-Base interactions energy: -852.927 where: short stacking energy: -367.955 Base-Backbone interact. energy: -0.294 local terms energy: -374.558641 where: bonds (distance) C4'-P energy: -75.288 bonds (distance) P-C4' energy: -67.822 flat angles C4'-P-C4' energy: -85.301 flat angles P-C4'-P energy: -53.234 tors. eta vs tors. theta energy: -92.914 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: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1137.996119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.996119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.996119 (E_RNA) where: Base-Base interactions energy: -793.685 where: short stacking energy: -334.807 Base-Backbone interact. energy: -0.696 local terms energy: -343.615299 where: bonds (distance) C4'-P energy: -68.837 bonds (distance) P-C4' energy: -76.871 flat angles C4'-P-C4' energy: -84.915 flat angles P-C4'-P energy: -38.097 tors. eta vs tors. theta energy: -74.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1019.186416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.186416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.186416 (E_RNA) where: Base-Base interactions energy: -663.151 where: short stacking energy: -312.778 Base-Backbone interact. energy: -1.301 local terms energy: -354.734574 where: bonds (distance) C4'-P energy: -67.200 bonds (distance) P-C4' energy: -77.861 flat angles C4'-P-C4' energy: -82.456 flat angles P-C4'-P energy: -48.488 tors. eta vs tors. theta energy: -78.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -833.620648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.620648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.620648 (E_RNA) where: Base-Base interactions energy: -537.819 where: short stacking energy: -215.658 Base-Backbone interact. energy: 4.557 local terms energy: -300.358006 where: bonds (distance) C4'-P energy: -77.352 bonds (distance) P-C4' energy: -72.446 flat angles C4'-P-C4' energy: -82.138 flat angles P-C4'-P energy: -43.705 tors. eta vs tors. theta energy: -24.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -521.777643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.777643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.777643 (E_RNA) where: Base-Base interactions energy: -301.970 where: short stacking energy: -153.816 Base-Backbone interact. energy: 0.582 local terms energy: -220.390539 where: bonds (distance) C4'-P energy: -72.469 bonds (distance) P-C4' energy: -75.411 flat angles C4'-P-C4' energy: -48.535 flat angles P-C4'-P energy: -19.382 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1538.395531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.395531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.395531 (E_RNA) where: Base-Base interactions energy: -1098.339 where: short stacking energy: -425.825 Base-Backbone interact. energy: -3.287 local terms energy: -436.769280 where: bonds (distance) C4'-P energy: -85.696 bonds (distance) P-C4' energy: -86.811 flat angles C4'-P-C4' energy: -94.426 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -115.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1450.922764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.922764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.922764 (E_RNA) where: Base-Base interactions energy: -997.673 where: short stacking energy: -456.524 Base-Backbone interact. energy: -1.564 local terms energy: -451.685581 where: bonds (distance) C4'-P energy: -70.992 bonds (distance) P-C4' energy: -90.144 flat angles C4'-P-C4' energy: -90.789 flat angles P-C4'-P energy: -61.289 tors. eta vs tors. theta energy: -138.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1426.654374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.654374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.654374 (E_RNA) where: Base-Base interactions energy: -1009.271 where: short stacking energy: -394.491 Base-Backbone interact. energy: 0.935 local terms energy: -418.318241 where: bonds (distance) C4'-P energy: -81.726 bonds (distance) P-C4' energy: -78.538 flat angles C4'-P-C4' energy: -90.826 flat angles P-C4'-P energy: -57.797 tors. eta vs tors. theta energy: -109.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1349.215378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.215378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.215378 (E_RNA) where: Base-Base interactions energy: -931.672 where: short stacking energy: -405.025 Base-Backbone interact. energy: -1.278 local terms energy: -416.264669 where: bonds (distance) C4'-P energy: -66.384 bonds (distance) P-C4' energy: -84.370 flat angles C4'-P-C4' energy: -87.984 flat angles P-C4'-P energy: -54.885 tors. eta vs tors. theta energy: -122.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1269.915650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.915650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.915650 (E_RNA) where: Base-Base interactions energy: -860.986 where: short stacking energy: -388.415 Base-Backbone interact. energy: -0.301 local terms energy: -408.627927 where: bonds (distance) C4'-P energy: -71.530 bonds (distance) P-C4' energy: -88.765 flat angles C4'-P-C4' energy: -79.854 flat angles P-C4'-P energy: -59.583 tors. eta vs tors. theta energy: -108.897 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: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1180.648943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.648943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.648943 (E_RNA) where: Base-Base interactions energy: -822.487 where: short stacking energy: -359.819 Base-Backbone interact. energy: -0.552 local terms energy: -357.609804 where: bonds (distance) C4'-P energy: -63.929 bonds (distance) P-C4' energy: -75.005 flat angles C4'-P-C4' energy: -78.904 flat angles P-C4'-P energy: -39.860 tors. eta vs tors. theta energy: -99.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1125.447696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.447696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.447696 (E_RNA) where: Base-Base interactions energy: -778.206 where: short stacking energy: -318.748 Base-Backbone interact. energy: -0.843 local terms energy: -346.399020 where: bonds (distance) C4'-P energy: -80.179 bonds (distance) P-C4' energy: -69.043 flat angles C4'-P-C4' energy: -77.199 flat angles P-C4'-P energy: -40.912 tors. eta vs tors. theta energy: -79.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1074.938808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.938808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.938808 (E_RNA) where: Base-Base interactions energy: -714.076 where: short stacking energy: -315.976 Base-Backbone interact. energy: 0.656 local terms energy: -361.519086 where: bonds (distance) C4'-P energy: -72.818 bonds (distance) P-C4' energy: -72.538 flat angles C4'-P-C4' energy: -75.100 flat angles P-C4'-P energy: -54.441 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: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -809.998266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.998266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.998266 (E_RNA) where: Base-Base interactions energy: -506.768 where: short stacking energy: -219.825 Base-Backbone interact. energy: 7.853 local terms energy: -312.543130 where: bonds (distance) C4'-P energy: -76.892 bonds (distance) P-C4' energy: -77.625 flat angles C4'-P-C4' energy: -69.593 flat angles P-C4'-P energy: -47.842 tors. eta vs tors. theta energy: -40.591 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: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -500.031051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.031051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.031051 (E_RNA) where: Base-Base interactions energy: -269.207 where: short stacking energy: -141.454 Base-Backbone interact. energy: 0.775 local terms energy: -231.598875 where: bonds (distance) C4'-P energy: -69.508 bonds (distance) P-C4' energy: -72.733 flat angles C4'-P-C4' energy: -59.030 flat angles P-C4'-P energy: -37.345 tors. eta vs tors. theta energy: 7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1551.795054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.795054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.795054 (E_RNA) where: Base-Base interactions energy: -1115.948 where: short stacking energy: -419.373 Base-Backbone interact. energy: -1.132 local terms energy: -434.714316 where: bonds (distance) C4'-P energy: -81.896 bonds (distance) P-C4' energy: -80.728 flat angles C4'-P-C4' energy: -97.162 flat angles P-C4'-P energy: -61.658 tors. eta vs tors. theta energy: -113.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1428.212098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.212098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.212098 (E_RNA) where: Base-Base interactions energy: -988.689 where: short stacking energy: -434.011 Base-Backbone interact. energy: 0.674 local terms energy: -440.196629 where: bonds (distance) C4'-P energy: -81.334 bonds (distance) P-C4' energy: -82.919 flat angles C4'-P-C4' energy: -97.145 flat angles P-C4'-P energy: -60.564 tors. eta vs tors. theta energy: -118.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1426.760329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.760329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.760329 (E_RNA) where: Base-Base interactions energy: -1008.280 where: short stacking energy: -402.860 Base-Backbone interact. energy: -1.517 local terms energy: -416.962909 where: bonds (distance) C4'-P energy: -83.243 bonds (distance) P-C4' energy: -88.666 flat angles C4'-P-C4' energy: -94.547 flat angles P-C4'-P energy: -49.592 tors. eta vs tors. theta energy: -100.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1344.633100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.633100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.633100 (E_RNA) where: Base-Base interactions energy: -946.264 where: short stacking energy: -385.790 Base-Backbone interact. energy: -1.220 local terms energy: -397.148873 where: bonds (distance) C4'-P energy: -70.459 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -79.423 flat angles P-C4'-P energy: -52.827 tors. eta vs tors. theta energy: -111.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1260.866317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.866317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.866317 (E_RNA) where: Base-Base interactions energy: -867.861 where: short stacking energy: -365.282 Base-Backbone interact. energy: -0.944 local terms energy: -392.061542 where: bonds (distance) C4'-P energy: -74.371 bonds (distance) P-C4' energy: -77.698 flat angles C4'-P-C4' energy: -86.349 flat angles P-C4'-P energy: -52.744 tors. eta vs tors. theta energy: -100.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1181.174114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.174114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.174114 (E_RNA) where: Base-Base interactions energy: -807.106 where: short stacking energy: -343.714 Base-Backbone interact. energy: -2.488 local terms energy: -371.580625 where: bonds (distance) C4'-P energy: -79.684 bonds (distance) P-C4' energy: -69.795 flat angles C4'-P-C4' energy: -85.116 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -80.373 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: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1219.193073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.193073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.193073 (E_RNA) where: Base-Base interactions energy: -827.482 where: short stacking energy: -343.224 Base-Backbone interact. energy: -2.133 local terms energy: -389.578679 where: bonds (distance) C4'-P energy: -77.139 bonds (distance) P-C4' energy: -83.558 flat angles C4'-P-C4' energy: -78.579 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -90.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1090.061906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.061906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.061906 (E_RNA) where: Base-Base interactions energy: -720.806 where: short stacking energy: -339.440 Base-Backbone interact. energy: -0.483 local terms energy: -368.773372 where: bonds (distance) C4'-P energy: -71.840 bonds (distance) P-C4' energy: -75.688 flat angles C4'-P-C4' energy: -85.813 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -80.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -803.209434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.209434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.209434 (E_RNA) where: Base-Base interactions energy: -490.235 where: short stacking energy: -208.731 Base-Backbone interact. energy: -0.089 local terms energy: -312.884786 where: bonds (distance) C4'-P energy: -77.964 bonds (distance) P-C4' energy: -75.587 flat angles C4'-P-C4' energy: -73.453 flat angles P-C4'-P energy: -50.118 tors. eta vs tors. theta energy: -35.764 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: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -525.543708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.543708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.543708 (E_RNA) where: Base-Base interactions energy: -275.852 where: short stacking energy: -144.992 Base-Backbone interact. energy: -0.153 local terms energy: -249.539423 where: bonds (distance) C4'-P energy: -64.264 bonds (distance) P-C4' energy: -75.634 flat angles C4'-P-C4' energy: -58.889 flat angles P-C4'-P energy: -52.825 tors. eta vs tors. theta energy: 2.073 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: 1, replica: 7 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1540.139175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.139175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.139175 (E_RNA) where: Base-Base interactions energy: -1106.482 where: short stacking energy: -443.091 Base-Backbone interact. energy: 0.023 local terms energy: -433.680184 where: bonds (distance) C4'-P energy: -74.978 bonds (distance) P-C4' energy: -89.833 flat angles C4'-P-C4' energy: -95.159 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -117.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1434.367616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.367616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.367616 (E_RNA) where: Base-Base interactions energy: -980.009 where: short stacking energy: -434.171 Base-Backbone interact. energy: -3.317 local terms energy: -451.041692 where: bonds (distance) C4'-P energy: -87.960 bonds (distance) P-C4' energy: -86.645 flat angles C4'-P-C4' energy: -83.988 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: -125.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1417.793018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.793018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.793018 (E_RNA) where: Base-Base interactions energy: -990.936 where: short stacking energy: -402.108 Base-Backbone interact. energy: -1.237 local terms energy: -425.620820 where: bonds (distance) C4'-P energy: -84.696 bonds (distance) P-C4' energy: -81.424 flat angles C4'-P-C4' energy: -89.852 flat angles P-C4'-P energy: -62.464 tors. eta vs tors. theta energy: -107.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1339.402640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.402640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.402640 (E_RNA) where: Base-Base interactions energy: -924.731 where: short stacking energy: -389.269 Base-Backbone interact. energy: -1.680 local terms energy: -413.199089 where: bonds (distance) C4'-P energy: -70.422 bonds (distance) P-C4' energy: -84.486 flat angles C4'-P-C4' energy: -88.856 flat angles P-C4'-P energy: -62.733 tors. eta vs tors. theta energy: -106.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.207 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1260.619745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.619745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.619745 (E_RNA) where: Base-Base interactions energy: -858.967 where: short stacking energy: -377.805 Base-Backbone interact. energy: -0.638 local terms energy: -401.014505 where: bonds (distance) C4'-P energy: -76.281 bonds (distance) P-C4' energy: -69.422 flat angles C4'-P-C4' energy: -90.779 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -112.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1167.015911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.015911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.015911 (E_RNA) where: Base-Base interactions energy: -813.477 where: short stacking energy: -351.300 Base-Backbone interact. energy: -0.389 local terms energy: -353.149920 where: bonds (distance) C4'-P energy: -72.961 bonds (distance) P-C4' energy: -64.117 flat angles C4'-P-C4' energy: -87.006 flat angles P-C4'-P energy: -45.880 tors. eta vs tors. theta energy: -83.185 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: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1146.594719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.594719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.594719 (E_RNA) where: Base-Base interactions energy: -786.540 where: short stacking energy: -316.177 Base-Backbone interact. energy: -2.517 local terms energy: -357.538299 where: bonds (distance) C4'-P energy: -66.557 bonds (distance) P-C4' energy: -70.491 flat angles C4'-P-C4' energy: -78.885 flat angles P-C4'-P energy: -55.671 tors. eta vs tors. theta energy: -85.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1103.646102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.646102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.646102 (E_RNA) where: Base-Base interactions energy: -748.451 where: short stacking energy: -339.202 Base-Backbone interact. energy: -0.416 local terms energy: -354.779897 where: bonds (distance) C4'-P energy: -67.915 bonds (distance) P-C4' energy: -70.529 flat angles C4'-P-C4' energy: -78.329 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -83.565 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: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -816.702535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.702535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.702535 (E_RNA) where: Base-Base interactions energy: -522.122 where: short stacking energy: -241.345 Base-Backbone interact. energy: -1.826 local terms energy: -292.754652 where: bonds (distance) C4'-P energy: -71.037 bonds (distance) P-C4' energy: -67.321 flat angles C4'-P-C4' energy: -66.873 flat angles P-C4'-P energy: -45.733 tors. eta vs tors. theta energy: -41.791 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: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -548.927289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.927289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.927289 (E_RNA) where: Base-Base interactions energy: -285.605 where: short stacking energy: -165.027 Base-Backbone interact. energy: 0.238 local terms energy: -263.560278 where: bonds (distance) C4'-P energy: -70.976 bonds (distance) P-C4' energy: -56.447 flat angles C4'-P-C4' energy: -70.817 flat angles P-C4'-P energy: -41.218 tors. eta vs tors. theta energy: -24.101 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: 7 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1533.566667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.566667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.566667 (E_RNA) where: Base-Base interactions energy: -1069.877 where: short stacking energy: -416.112 Base-Backbone interact. energy: -2.206 local terms energy: -461.483435 where: bonds (distance) C4'-P energy: -89.326 bonds (distance) P-C4' energy: -87.170 flat angles C4'-P-C4' energy: -103.503 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -121.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1473.570801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.570801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.570801 (E_RNA) where: Base-Base interactions energy: -1019.649 where: short stacking energy: -407.901 Base-Backbone interact. energy: -2.930 local terms energy: -450.991265 where: bonds (distance) C4'-P energy: -98.091 bonds (distance) P-C4' energy: -83.377 flat angles C4'-P-C4' energy: -103.148 flat angles P-C4'-P energy: -54.892 tors. eta vs tors. theta energy: -111.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1393.615630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.615630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.615630 (E_RNA) where: Base-Base interactions energy: -958.030 where: short stacking energy: -418.565 Base-Backbone interact. energy: -1.613 local terms energy: -433.973489 where: bonds (distance) C4'-P energy: -71.866 bonds (distance) P-C4' energy: -90.174 flat angles C4'-P-C4' energy: -99.634 flat angles P-C4'-P energy: -62.780 tors. eta vs tors. theta energy: -109.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1349.395727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.395727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.395727 (E_RNA) where: Base-Base interactions energy: -929.950 where: short stacking energy: -421.154 Base-Backbone interact. energy: -0.970 local terms energy: -418.475461 where: bonds (distance) C4'-P energy: -76.523 bonds (distance) P-C4' energy: -78.538 flat angles C4'-P-C4' energy: -84.556 flat angles P-C4'-P energy: -60.098 tors. eta vs tors. theta energy: -118.762 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: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1258.743992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.743992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.743992 (E_RNA) where: Base-Base interactions energy: -877.326 where: short stacking energy: -358.772 Base-Backbone interact. energy: 0.908 local terms energy: -382.326033 where: bonds (distance) C4'-P energy: -54.540 bonds (distance) P-C4' energy: -80.585 flat angles C4'-P-C4' energy: -87.360 flat angles P-C4'-P energy: -61.965 tors. eta vs tors. theta energy: -97.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1170.908228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.908228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.908228 (E_RNA) where: Base-Base interactions energy: -809.168 where: short stacking energy: -334.246 Base-Backbone interact. energy: -0.453 local terms energy: -361.287233 where: bonds (distance) C4'-P energy: -72.379 bonds (distance) P-C4' energy: -77.906 flat angles C4'-P-C4' energy: -75.191 flat angles P-C4'-P energy: -51.141 tors. eta vs tors. theta energy: -84.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1116.716608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.716608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.716608 (E_RNA) where: Base-Base interactions energy: -755.146 where: short stacking energy: -312.206 Base-Backbone interact. energy: -0.234 local terms energy: -361.336458 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -74.230 flat angles C4'-P-C4' energy: -87.300 flat angles P-C4'-P energy: -51.618 tors. eta vs tors. theta energy: -73.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1072.512903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.512903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.512903 (E_RNA) where: Base-Base interactions energy: -713.863 where: short stacking energy: -304.174 Base-Backbone interact. energy: -1.298 local terms energy: -357.351412 where: bonds (distance) C4'-P energy: -75.200 bonds (distance) P-C4' energy: -73.181 flat angles C4'-P-C4' energy: -77.596 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -85.530 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: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -796.921405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.921405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.921405 (E_RNA) where: Base-Base interactions energy: -504.931 where: short stacking energy: -210.305 Base-Backbone interact. energy: -0.601 local terms energy: -291.389674 where: bonds (distance) C4'-P energy: -72.803 bonds (distance) P-C4' energy: -77.541 flat angles C4'-P-C4' energy: -73.194 flat angles P-C4'-P energy: -41.560 tors. eta vs tors. theta energy: -26.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -507.256994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.256994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.256994 (E_RNA) where: Base-Base interactions energy: -270.853 where: short stacking energy: -131.910 Base-Backbone interact. energy: 1.605 local terms energy: -238.009531 where: bonds (distance) C4'-P energy: -63.717 bonds (distance) P-C4' energy: -83.254 flat angles C4'-P-C4' energy: -56.733 flat angles P-C4'-P energy: -39.241 tors. eta vs tors. theta energy: 4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1548.695824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.695824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.695824 (E_RNA) where: Base-Base interactions energy: -1105.170 where: short stacking energy: -438.627 Base-Backbone interact. energy: 7.195 local terms energy: -450.720782 where: bonds (distance) C4'-P energy: -84.646 bonds (distance) P-C4' energy: -88.324 flat angles C4'-P-C4' energy: -99.807 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: -120.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1473.333490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.333490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.333490 (E_RNA) where: Base-Base interactions energy: -1046.402 where: short stacking energy: -423.725 Base-Backbone interact. energy: -4.226 local terms energy: -422.705008 where: bonds (distance) C4'-P energy: -85.084 bonds (distance) P-C4' energy: -80.633 flat angles C4'-P-C4' energy: -93.298 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: -104.226 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: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1391.734922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.734922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.734922 (E_RNA) where: Base-Base interactions energy: -970.330 where: short stacking energy: -432.983 Base-Backbone interact. energy: 0.015 local terms energy: -421.419317 where: bonds (distance) C4'-P energy: -83.711 bonds (distance) P-C4' energy: -67.601 flat angles C4'-P-C4' energy: -93.029 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -123.912 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: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1362.673682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.673682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.673682 (E_RNA) where: Base-Base interactions energy: -941.257 where: short stacking energy: -405.651 Base-Backbone interact. energy: 0.652 local terms energy: -422.780237 where: bonds (distance) C4'-P energy: -74.219 bonds (distance) P-C4' energy: -82.120 flat angles C4'-P-C4' energy: -97.655 flat angles P-C4'-P energy: -59.231 tors. eta vs tors. theta energy: -109.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.711 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1278.226046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.226046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.226046 (E_RNA) where: Base-Base interactions energy: -892.529 where: short stacking energy: -372.475 Base-Backbone interact. energy: 2.568 local terms energy: -388.265352 where: bonds (distance) C4'-P energy: -67.067 bonds (distance) P-C4' energy: -74.967 flat angles C4'-P-C4' energy: -86.560 flat angles P-C4'-P energy: -57.445 tors. eta vs tors. theta energy: -102.227 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: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1212.173017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.173017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.173017 (E_RNA) where: Base-Base interactions energy: -848.097 where: short stacking energy: -346.783 Base-Backbone interact. energy: -1.431 local terms energy: -362.644849 where: bonds (distance) C4'-P energy: -83.297 bonds (distance) P-C4' energy: -67.176 flat angles C4'-P-C4' energy: -69.197 flat angles P-C4'-P energy: -54.662 tors. eta vs tors. theta energy: -88.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1122.950119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.950119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.950119 (E_RNA) where: Base-Base interactions energy: -785.340 where: short stacking energy: -331.145 Base-Backbone interact. energy: 0.788 local terms energy: -338.398249 where: bonds (distance) C4'-P energy: -53.741 bonds (distance) P-C4' energy: -87.317 flat angles C4'-P-C4' energy: -86.170 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: -70.050 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: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1058.955328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.955328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.955328 (E_RNA) where: Base-Base interactions energy: -716.157 where: short stacking energy: -310.602 Base-Backbone interact. energy: 0.963 local terms energy: -343.760602 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -66.168 flat angles C4'-P-C4' energy: -69.168 flat angles P-C4'-P energy: -56.896 tors. eta vs tors. theta energy: -85.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -751.717387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.717387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.717387 (E_RNA) where: Base-Base interactions energy: -476.186 where: short stacking energy: -236.070 Base-Backbone interact. energy: 1.085 local terms energy: -276.616824 where: bonds (distance) C4'-P energy: -59.880 bonds (distance) P-C4' energy: -74.093 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -41.775 tors. eta vs tors. theta energy: -34.085 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: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -516.487623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.487623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.487623 (E_RNA) where: Base-Base interactions energy: -290.418 where: short stacking energy: -161.492 Base-Backbone interact. energy: -1.951 local terms energy: -224.118660 where: bonds (distance) C4'-P energy: -61.412 bonds (distance) P-C4' energy: -71.609 flat angles C4'-P-C4' energy: -55.745 flat angles P-C4'-P energy: -23.867 tors. eta vs tors. theta energy: -11.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1537.217711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.217711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.217711 (E_RNA) where: Base-Base interactions energy: -1103.225 where: short stacking energy: -433.689 Base-Backbone interact. energy: 7.911 local terms energy: -441.903955 where: bonds (distance) C4'-P energy: -84.742 bonds (distance) P-C4' energy: -84.144 flat angles C4'-P-C4' energy: -92.293 flat angles P-C4'-P energy: -65.873 tors. eta vs tors. theta energy: -114.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1461.801701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.801701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.801701 (E_RNA) where: Base-Base interactions energy: -1011.925 where: short stacking energy: -419.275 Base-Backbone interact. energy: -1.327 local terms energy: -448.549614 where: bonds (distance) C4'-P energy: -74.528 bonds (distance) P-C4' energy: -89.868 flat angles C4'-P-C4' energy: -93.832 flat angles P-C4'-P energy: -68.526 tors. eta vs tors. theta energy: -121.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1451.712508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.712508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.712508 (E_RNA) where: Base-Base interactions energy: -1021.233 where: short stacking energy: -411.088 Base-Backbone interact. energy: -1.094 local terms energy: -429.385366 where: bonds (distance) C4'-P energy: -73.323 bonds (distance) P-C4' energy: -83.011 flat angles C4'-P-C4' energy: -94.502 flat angles P-C4'-P energy: -63.531 tors. eta vs tors. theta energy: -115.019 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: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1351.620526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.620526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.620526 (E_RNA) where: Base-Base interactions energy: -928.131 where: short stacking energy: -421.861 Base-Backbone interact. energy: -0.036 local terms energy: -423.454226 where: bonds (distance) C4'-P energy: -81.958 bonds (distance) P-C4' energy: -74.914 flat angles C4'-P-C4' energy: -90.708 flat angles P-C4'-P energy: -55.914 tors. eta vs tors. theta energy: -119.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1283.509021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.509021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.509021 (E_RNA) where: Base-Base interactions energy: -905.000 where: short stacking energy: -399.920 Base-Backbone interact. energy: -0.282 local terms energy: -378.227630 where: bonds (distance) C4'-P energy: -51.874 bonds (distance) P-C4' energy: -88.086 flat angles C4'-P-C4' energy: -89.150 flat angles P-C4'-P energy: -48.298 tors. eta vs tors. theta energy: -100.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1253.656819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.656819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.656819 (E_RNA) where: Base-Base interactions energy: -892.737 where: short stacking energy: -378.990 Base-Backbone interact. energy: -0.161 local terms energy: -360.758485 where: bonds (distance) C4'-P energy: -55.528 bonds (distance) P-C4' energy: -69.906 flat angles C4'-P-C4' energy: -93.359 flat angles P-C4'-P energy: -50.384 tors. eta vs tors. theta energy: -91.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1128.842271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.842271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.842271 (E_RNA) where: Base-Base interactions energy: -775.033 where: short stacking energy: -320.328 Base-Backbone interact. energy: 9.889 local terms energy: -363.698279 where: bonds (distance) C4'-P energy: -71.028 bonds (distance) P-C4' energy: -76.106 flat angles C4'-P-C4' energy: -84.734 flat angles P-C4'-P energy: -53.505 tors. eta vs tors. theta energy: -78.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1101.899842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.899842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.899842 (E_RNA) where: Base-Base interactions energy: -744.471 where: short stacking energy: -331.155 Base-Backbone interact. energy: 3.706 local terms energy: -361.134974 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -77.280 flat angles C4'-P-C4' energy: -74.754 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -77.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -793.535552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.535552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.535552 (E_RNA) where: Base-Base interactions energy: -480.242 where: short stacking energy: -240.183 Base-Backbone interact. energy: -0.697 local terms energy: -312.596344 where: bonds (distance) C4'-P energy: -56.827 bonds (distance) P-C4' energy: -89.309 flat angles C4'-P-C4' energy: -80.712 flat angles P-C4'-P energy: -42.893 tors. eta vs tors. theta energy: -42.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -521.147804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.147804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.147804 (E_RNA) where: Base-Base interactions energy: -273.065 where: short stacking energy: -155.068 Base-Backbone interact. energy: 2.885 local terms energy: -250.967603 where: bonds (distance) C4'-P energy: -76.534 bonds (distance) P-C4' energy: -69.365 flat angles C4'-P-C4' energy: -62.214 flat angles P-C4'-P energy: -31.467 tors. eta vs tors. theta energy: -11.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1552.039342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.039342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.039342 (E_RNA) where: Base-Base interactions energy: -1104.304 where: short stacking energy: -418.554 Base-Backbone interact. energy: -1.043 local terms energy: -446.692887 where: bonds (distance) C4'-P energy: -92.724 bonds (distance) P-C4' energy: -86.147 flat angles C4'-P-C4' energy: -94.533 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -111.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1442.222090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.222090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.222090 (E_RNA) where: Base-Base interactions energy: -994.980 where: short stacking energy: -423.369 Base-Backbone interact. energy: -3.070 local terms energy: -444.172097 where: bonds (distance) C4'-P energy: -80.158 bonds (distance) P-C4' energy: -87.019 flat angles C4'-P-C4' energy: -92.326 flat angles P-C4'-P energy: -70.659 tors. eta vs tors. theta energy: -114.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1439.492656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.492656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.492656 (E_RNA) where: Base-Base interactions energy: -1010.916 where: short stacking energy: -421.953 Base-Backbone interact. energy: -2.809 local terms energy: -425.767752 where: bonds (distance) C4'-P energy: -79.153 bonds (distance) P-C4' energy: -86.124 flat angles C4'-P-C4' energy: -97.930 flat angles P-C4'-P energy: -52.397 tors. eta vs tors. theta energy: -110.163 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: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1330.789362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.789362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.789362 (E_RNA) where: Base-Base interactions energy: -918.861 where: short stacking energy: -385.343 Base-Backbone interact. energy: 1.856 local terms energy: -413.784776 where: bonds (distance) C4'-P energy: -77.619 bonds (distance) P-C4' energy: -86.233 flat angles C4'-P-C4' energy: -87.304 flat angles P-C4'-P energy: -53.558 tors. eta vs tors. theta energy: -109.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1287.547508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.547508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.547508 (E_RNA) where: Base-Base interactions energy: -883.677 where: short stacking energy: -388.042 Base-Backbone interact. energy: -0.586 local terms energy: -403.284680 where: bonds (distance) C4'-P energy: -63.977 bonds (distance) P-C4' energy: -76.223 flat angles C4'-P-C4' energy: -96.685 flat angles P-C4'-P energy: -60.129 tors. eta vs tors. theta energy: -106.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1239.518504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.518504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.518504 (E_RNA) where: Base-Base interactions energy: -852.362 where: short stacking energy: -353.682 Base-Backbone interact. energy: -3.325 local terms energy: -383.830797 where: bonds (distance) C4'-P energy: -78.248 bonds (distance) P-C4' energy: -71.585 flat angles C4'-P-C4' energy: -82.488 flat angles P-C4'-P energy: -51.068 tors. eta vs tors. theta energy: -100.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1107.135643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.135643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.135643 (E_RNA) where: Base-Base interactions energy: -756.452 where: short stacking energy: -332.037 Base-Backbone interact. energy: -1.425 local terms energy: -349.258595 where: bonds (distance) C4'-P energy: -48.812 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -93.184 flat angles P-C4'-P energy: -52.847 tors. eta vs tors. theta energy: -74.774 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: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1050.857337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.857337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.857337 (E_RNA) where: Base-Base interactions energy: -728.446 where: short stacking energy: -328.000 Base-Backbone interact. energy: 3.165 local terms energy: -325.576320 where: bonds (distance) C4'-P energy: -54.105 bonds (distance) P-C4' energy: -74.252 flat angles C4'-P-C4' energy: -67.440 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -85.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -732.947220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.947220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.947220 (E_RNA) where: Base-Base interactions energy: -462.895 where: short stacking energy: -220.603 Base-Backbone interact. energy: 1.079 local terms energy: -271.131253 where: bonds (distance) C4'-P energy: -73.973 bonds (distance) P-C4' energy: -71.139 flat angles C4'-P-C4' energy: -67.039 flat angles P-C4'-P energy: -37.829 tors. eta vs tors. theta energy: -21.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -534.463579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.463579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.463579 (E_RNA) where: Base-Base interactions energy: -311.782 where: short stacking energy: -148.460 Base-Backbone interact. energy: 0.818 local terms energy: -223.499098 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -52.670 flat angles P-C4'-P energy: -21.123 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1566.299693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.299693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.299693 (E_RNA) where: Base-Base interactions energy: -1128.962 where: short stacking energy: -428.867 Base-Backbone interact. energy: -2.292 local terms energy: -435.045472 where: bonds (distance) C4'-P energy: -79.867 bonds (distance) P-C4' energy: -87.203 flat angles C4'-P-C4' energy: -96.336 flat angles P-C4'-P energy: -53.732 tors. eta vs tors. theta energy: -117.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1444.690494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.690494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.690494 (E_RNA) where: Base-Base interactions energy: -1040.204 where: short stacking energy: -431.948 Base-Backbone interact. energy: -3.182 local terms energy: -401.304825 where: bonds (distance) C4'-P energy: -71.637 bonds (distance) P-C4' energy: -72.650 flat angles C4'-P-C4' energy: -89.362 flat angles P-C4'-P energy: -52.744 tors. eta vs tors. theta energy: -114.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1400.723285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.723285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.723285 (E_RNA) where: Base-Base interactions energy: -987.108 where: short stacking energy: -407.184 Base-Backbone interact. energy: -2.273 local terms energy: -411.342844 where: bonds (distance) C4'-P energy: -58.520 bonds (distance) P-C4' energy: -80.764 flat angles C4'-P-C4' energy: -94.655 flat angles P-C4'-P energy: -65.791 tors. eta vs tors. theta energy: -111.612 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: 331 Temperature: 1.050000 Total energy: -1351.357962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.357962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.357962 (E_RNA) where: Base-Base interactions energy: -926.581 where: short stacking energy: -418.052 Base-Backbone interact. energy: -0.307 local terms energy: -424.470093 where: bonds (distance) C4'-P energy: -81.139 bonds (distance) P-C4' energy: -73.204 flat angles C4'-P-C4' energy: -85.540 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -128.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1334.750511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.750511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.750511 (E_RNA) where: Base-Base interactions energy: -923.349 where: short stacking energy: -400.222 Base-Backbone interact. energy: -0.948 local terms energy: -410.453591 where: bonds (distance) C4'-P energy: -77.735 bonds (distance) P-C4' energy: -69.629 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -56.607 tors. eta vs tors. theta energy: -115.529 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: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1228.346694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.346694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.346694 (E_RNA) where: Base-Base interactions energy: -859.714 where: short stacking energy: -369.385 Base-Backbone interact. energy: -0.775 local terms energy: -367.857299 where: bonds (distance) C4'-P energy: -70.484 bonds (distance) P-C4' energy: -71.305 flat angles C4'-P-C4' energy: -71.537 flat angles P-C4'-P energy: -56.842 tors. eta vs tors. theta energy: -97.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1157.798881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.798881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.798881 (E_RNA) where: Base-Base interactions energy: -813.830 where: short stacking energy: -340.506 Base-Backbone interact. energy: 0.313 local terms energy: -344.281856 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -72.857 flat angles C4'-P-C4' energy: -73.407 flat angles P-C4'-P energy: -48.450 tors. eta vs tors. theta energy: -83.079 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: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1074.000860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.000860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.000860 (E_RNA) where: Base-Base interactions energy: -751.978 where: short stacking energy: -323.037 Base-Backbone interact. energy: -1.597 local terms energy: -320.425843 where: bonds (distance) C4'-P energy: -61.061 bonds (distance) P-C4' energy: -65.509 flat angles C4'-P-C4' energy: -75.311 flat angles P-C4'-P energy: -46.816 tors. eta vs tors. theta energy: -71.729 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: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -730.550279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.550279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.550279 (E_RNA) where: Base-Base interactions energy: -468.512 where: short stacking energy: -209.355 Base-Backbone interact. energy: -1.135 local terms energy: -260.903434 where: bonds (distance) C4'-P energy: -56.433 bonds (distance) P-C4' energy: -62.982 flat angles C4'-P-C4' energy: -73.655 flat angles P-C4'-P energy: -37.974 tors. eta vs tors. theta energy: -29.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -548.333239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.333239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.333239 (E_RNA) where: Base-Base interactions energy: -302.416 where: short stacking energy: -149.990 Base-Backbone interact. energy: 6.949 local terms energy: -252.866383 where: bonds (distance) C4'-P energy: -61.410 bonds (distance) P-C4' energy: -75.973 flat angles C4'-P-C4' energy: -71.675 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: 1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1534.996817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.996817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.996817 (E_RNA) where: Base-Base interactions energy: -1082.454 where: short stacking energy: -419.747 Base-Backbone interact. energy: -2.975 local terms energy: -449.568321 where: bonds (distance) C4'-P energy: -85.623 bonds (distance) P-C4' energy: -92.981 flat angles C4'-P-C4' energy: -97.700 flat angles P-C4'-P energy: -59.215 tors. eta vs tors. theta energy: -114.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1448.891965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.891965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.891965 (E_RNA) where: Base-Base interactions energy: -1027.430 where: short stacking energy: -405.151 Base-Backbone interact. energy: -3.202 local terms energy: -418.259800 where: bonds (distance) C4'-P energy: -89.798 bonds (distance) P-C4' energy: -78.710 flat angles C4'-P-C4' energy: -92.925 flat angles P-C4'-P energy: -49.509 tors. eta vs tors. theta energy: -107.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1410.049672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.049672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.049672 (E_RNA) where: Base-Base interactions energy: -976.031 where: short stacking energy: -437.424 Base-Backbone interact. energy: 0.319 local terms energy: -434.338114 where: bonds (distance) C4'-P energy: -75.761 bonds (distance) P-C4' energy: -86.209 flat angles C4'-P-C4' energy: -91.812 flat angles P-C4'-P energy: -57.292 tors. eta vs tors. theta energy: -123.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1317.745305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.745305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.745305 (E_RNA) where: Base-Base interactions energy: -925.379 where: short stacking energy: -398.319 Base-Backbone interact. energy: -0.320 local terms energy: -392.045489 where: bonds (distance) C4'-P energy: -62.512 bonds (distance) P-C4' energy: -83.108 flat angles C4'-P-C4' energy: -82.419 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -102.636 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: 8 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1299.911810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.911810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.911810 (E_RNA) where: Base-Base interactions energy: -905.849 where: short stacking energy: -383.816 Base-Backbone interact. energy: 2.449 local terms energy: -396.511373 where: bonds (distance) C4'-P energy: -79.436 bonds (distance) P-C4' energy: -62.475 flat angles C4'-P-C4' energy: -79.490 flat angles P-C4'-P energy: -64.208 tors. eta vs tors. theta energy: -110.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1227.041933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.041933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.041933 (E_RNA) where: Base-Base interactions energy: -827.997 where: short stacking energy: -345.882 Base-Backbone interact. energy: -1.354 local terms energy: -397.690444 where: bonds (distance) C4'-P energy: -80.279 bonds (distance) P-C4' energy: -94.370 flat angles C4'-P-C4' energy: -79.224 flat angles P-C4'-P energy: -55.503 tors. eta vs tors. theta energy: -88.314 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: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1202.388054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.388054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.388054 (E_RNA) where: Base-Base interactions energy: -825.463 where: short stacking energy: -339.217 Base-Backbone interact. energy: -1.854 local terms energy: -375.071734 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -70.030 flat angles C4'-P-C4' energy: -78.355 flat angles P-C4'-P energy: -62.995 tors. eta vs tors. theta energy: -82.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1079.232171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.232171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.232171 (E_RNA) where: Base-Base interactions energy: -738.041 where: short stacking energy: -314.504 Base-Backbone interact. energy: 3.359 local terms energy: -344.549738 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -73.521 flat angles C4'-P-C4' energy: -85.192 flat angles P-C4'-P energy: -53.597 tors. eta vs tors. theta energy: -69.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -728.372728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.372728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.372728 (E_RNA) where: Base-Base interactions energy: -454.851 where: short stacking energy: -224.750 Base-Backbone interact. energy: -0.189 local terms energy: -274.543944 where: bonds (distance) C4'-P energy: -69.061 bonds (distance) P-C4' energy: -68.406 flat angles C4'-P-C4' energy: -60.341 flat angles P-C4'-P energy: -46.258 tors. eta vs tors. theta energy: -30.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.211 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -523.208703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.208703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.208703 (E_RNA) where: Base-Base interactions energy: -278.561 where: short stacking energy: -158.219 Base-Backbone interact. energy: 1.045 local terms energy: -245.692345 where: bonds (distance) C4'-P energy: -71.712 bonds (distance) P-C4' energy: -71.121 flat angles C4'-P-C4' energy: -60.922 flat angles P-C4'-P energy: -30.695 tors. eta vs tors. theta energy: -11.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1550.923193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.923193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.923193 (E_RNA) where: Base-Base interactions energy: -1107.344 where: short stacking energy: -436.898 Base-Backbone interact. energy: 0.480 local terms energy: -444.058612 where: bonds (distance) C4'-P energy: -91.248 bonds (distance) P-C4' energy: -87.816 flat angles C4'-P-C4' energy: -80.545 flat angles P-C4'-P energy: -61.146 tors. eta vs tors. theta energy: -123.302 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: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1461.638118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.638118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.638118 (E_RNA) where: Base-Base interactions energy: -993.691 where: short stacking energy: -424.448 Base-Backbone interact. energy: -0.873 local terms energy: -467.074801 where: bonds (distance) C4'-P energy: -82.138 bonds (distance) P-C4' energy: -86.651 flat angles C4'-P-C4' energy: -104.695 flat angles P-C4'-P energy: -73.180 tors. eta vs tors. theta energy: -120.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1438.586807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.586807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.586807 (E_RNA) where: Base-Base interactions energy: -1008.616 where: short stacking energy: -401.900 Base-Backbone interact. energy: -3.324 local terms energy: -426.647250 where: bonds (distance) C4'-P energy: -85.600 bonds (distance) P-C4' energy: -82.142 flat angles C4'-P-C4' energy: -92.708 flat angles P-C4'-P energy: -65.497 tors. eta vs tors. theta energy: -100.700 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: 8 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1318.444859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.444859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.444859 (E_RNA) where: Base-Base interactions energy: -921.368 where: short stacking energy: -409.825 Base-Backbone interact. energy: -0.344 local terms energy: -396.732625 where: bonds (distance) C4'-P energy: -67.334 bonds (distance) P-C4' energy: -69.942 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -61.398 tors. eta vs tors. theta energy: -109.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1309.427419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.427419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.427419 (E_RNA) where: Base-Base interactions energy: -890.272 where: short stacking energy: -390.410 Base-Backbone interact. energy: -1.315 local terms energy: -417.840426 where: bonds (distance) C4'-P energy: -74.194 bonds (distance) P-C4' energy: -72.007 flat angles C4'-P-C4' energy: -92.638 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -114.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1215.333151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.333151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.333151 (E_RNA) where: Base-Base interactions energy: -842.693 where: short stacking energy: -358.849 Base-Backbone interact. energy: -3.583 local terms energy: -369.057394 where: bonds (distance) C4'-P energy: -67.813 bonds (distance) P-C4' energy: -76.196 flat angles C4'-P-C4' energy: -77.370 flat angles P-C4'-P energy: -58.205 tors. eta vs tors. theta energy: -89.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1184.096808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.096808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.096808 (E_RNA) where: Base-Base interactions energy: -803.330 where: short stacking energy: -337.818 Base-Backbone interact. energy: -1.391 local terms energy: -379.375819 where: bonds (distance) C4'-P energy: -77.287 bonds (distance) P-C4' energy: -83.139 flat angles C4'-P-C4' energy: -80.849 flat angles P-C4'-P energy: -55.574 tors. eta vs tors. theta energy: -82.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1076.192790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.192790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.192790 (E_RNA) where: Base-Base interactions energy: -728.005 where: short stacking energy: -347.172 Base-Backbone interact. energy: 1.156 local terms energy: -349.343761 where: bonds (distance) C4'-P energy: -59.162 bonds (distance) P-C4' energy: -75.156 flat angles C4'-P-C4' energy: -70.287 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -89.769 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: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -691.725547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.725547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.725547 (E_RNA) where: Base-Base interactions energy: -413.196 where: short stacking energy: -193.197 Base-Backbone interact. energy: -1.023 local terms energy: -277.506489 where: bonds (distance) C4'-P energy: -65.627 bonds (distance) P-C4' energy: -74.882 flat angles C4'-P-C4' energy: -74.101 flat angles P-C4'-P energy: -48.971 tors. eta vs tors. theta energy: -13.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -537.521378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.521378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.521378 (E_RNA) where: Base-Base interactions energy: -286.416 where: short stacking energy: -153.895 Base-Backbone interact. energy: 0.029 local terms energy: -251.133754 where: bonds (distance) C4'-P energy: -71.627 bonds (distance) P-C4' energy: -72.603 flat angles C4'-P-C4' energy: -62.784 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1535.462062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.462062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.462062 (E_RNA) where: Base-Base interactions energy: -1110.617 where: short stacking energy: -440.517 Base-Backbone interact. energy: -0.701 local terms energy: -424.143872 where: bonds (distance) C4'-P energy: -70.520 bonds (distance) P-C4' energy: -84.964 flat angles C4'-P-C4' energy: -92.250 flat angles P-C4'-P energy: -61.662 tors. eta vs tors. theta energy: -114.748 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: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1425.782665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.782665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.782665 (E_RNA) where: Base-Base interactions energy: -977.920 where: short stacking energy: -435.862 Base-Backbone interact. energy: -1.418 local terms energy: -446.444035 where: bonds (distance) C4'-P energy: -72.007 bonds (distance) P-C4' energy: -82.997 flat angles C4'-P-C4' energy: -92.853 flat angles P-C4'-P energy: -68.103 tors. eta vs tors. theta energy: -130.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1425.624151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.624151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.624151 (E_RNA) where: Base-Base interactions energy: -1016.548 where: short stacking energy: -399.632 Base-Backbone interact. energy: -3.047 local terms energy: -406.028654 where: bonds (distance) C4'-P energy: -76.748 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -91.384 flat angles P-C4'-P energy: -55.148 tors. eta vs tors. theta energy: -108.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1297.179617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.179617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.179617 (E_RNA) where: Base-Base interactions energy: -909.753 where: short stacking energy: -402.320 Base-Backbone interact. energy: -2.076 local terms energy: -385.350848 where: bonds (distance) C4'-P energy: -68.350 bonds (distance) P-C4' energy: -84.082 flat angles C4'-P-C4' energy: -79.966 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: -100.352 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: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1300.330655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.330655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.330655 (E_RNA) where: Base-Base interactions energy: -893.540 where: short stacking energy: -378.893 Base-Backbone interact. energy: -0.031 local terms energy: -406.759295 where: bonds (distance) C4'-P energy: -76.045 bonds (distance) P-C4' energy: -80.741 flat angles C4'-P-C4' energy: -82.570 flat angles P-C4'-P energy: -50.851 tors. eta vs tors. theta energy: -116.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1239.806995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.806995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.806995 (E_RNA) where: Base-Base interactions energy: -863.162 where: short stacking energy: -391.639 Base-Backbone interact. energy: -2.610 local terms energy: -374.034789 where: bonds (distance) C4'-P energy: -66.968 bonds (distance) P-C4' energy: -76.015 flat angles C4'-P-C4' energy: -77.330 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: -100.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1156.967048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.967048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.967048 (E_RNA) where: Base-Base interactions energy: -789.828 where: short stacking energy: -331.875 Base-Backbone interact. energy: -1.106 local terms energy: -366.033065 where: bonds (distance) C4'-P energy: -80.179 bonds (distance) P-C4' energy: -81.505 flat angles C4'-P-C4' energy: -74.544 flat angles P-C4'-P energy: -48.242 tors. eta vs tors. theta energy: -81.563 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: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1046.454723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.454723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.454723 (E_RNA) where: Base-Base interactions energy: -720.818 where: short stacking energy: -321.216 Base-Backbone interact. energy: 0.811 local terms energy: -326.447783 where: bonds (distance) C4'-P energy: -58.000 bonds (distance) P-C4' energy: -66.476 flat angles C4'-P-C4' energy: -78.534 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -81.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -687.473413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.473413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.473413 (E_RNA) where: Base-Base interactions energy: -435.985 where: short stacking energy: -193.217 Base-Backbone interact. energy: 2.868 local terms energy: -254.355971 where: bonds (distance) C4'-P energy: -50.578 bonds (distance) P-C4' energy: -74.130 flat angles C4'-P-C4' energy: -65.538 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -17.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -517.797666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.797666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.797666 (E_RNA) where: Base-Base interactions energy: -273.130 where: short stacking energy: -137.371 Base-Backbone interact. energy: -1.341 local terms energy: -243.326832 where: bonds (distance) C4'-P energy: -68.367 bonds (distance) P-C4' energy: -78.701 flat angles C4'-P-C4' energy: -59.389 flat angles P-C4'-P energy: -40.213 tors. eta vs tors. theta energy: 3.344 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: 7 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1561.641241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.641241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.641241 (E_RNA) where: Base-Base interactions energy: -1114.259 where: short stacking energy: -435.327 Base-Backbone interact. energy: -2.551 local terms energy: -444.831191 where: bonds (distance) C4'-P energy: -80.934 bonds (distance) P-C4' energy: -86.050 flat angles C4'-P-C4' energy: -96.806 flat angles P-C4'-P energy: -60.243 tors. eta vs tors. theta energy: -120.799 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: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1439.226950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.226950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.226950 (E_RNA) where: Base-Base interactions energy: -976.917 where: short stacking energy: -443.226 Base-Backbone interact. energy: -1.566 local terms energy: -460.743758 where: bonds (distance) C4'-P energy: -79.002 bonds (distance) P-C4' energy: -87.905 flat angles C4'-P-C4' energy: -96.707 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: -124.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1420.671219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.671219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.671219 (E_RNA) where: Base-Base interactions energy: -993.809 where: short stacking energy: -404.175 Base-Backbone interact. energy: -3.472 local terms energy: -423.389462 where: bonds (distance) C4'-P energy: -79.805 bonds (distance) P-C4' energy: -80.389 flat angles C4'-P-C4' energy: -91.484 flat angles P-C4'-P energy: -60.707 tors. eta vs tors. theta energy: -111.004 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: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1321.833976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.833976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.833976 (E_RNA) where: Base-Base interactions energy: -907.362 where: short stacking energy: -407.631 Base-Backbone interact. energy: -1.992 local terms energy: -412.479712 where: bonds (distance) C4'-P energy: -82.381 bonds (distance) P-C4' energy: -77.209 flat angles C4'-P-C4' energy: -85.763 flat angles P-C4'-P energy: -56.184 tors. eta vs tors. theta energy: -110.943 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: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1308.496886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.496886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.496886 (E_RNA) where: Base-Base interactions energy: -920.425 where: short stacking energy: -412.570 Base-Backbone interact. energy: -1.126 local terms energy: -386.946477 where: bonds (distance) C4'-P energy: -64.280 bonds (distance) P-C4' energy: -66.382 flat angles C4'-P-C4' energy: -85.814 flat angles P-C4'-P energy: -53.584 tors. eta vs tors. theta energy: -116.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1240.793229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.793229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.793229 (E_RNA) where: Base-Base interactions energy: -865.115 where: short stacking energy: -356.103 Base-Backbone interact. energy: -0.710 local terms energy: -374.967508 where: bonds (distance) C4'-P energy: -73.374 bonds (distance) P-C4' energy: -71.958 flat angles C4'-P-C4' energy: -89.372 flat angles P-C4'-P energy: -58.487 tors. eta vs tors. theta energy: -81.777 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: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1122.667796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.667796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.667796 (E_RNA) where: Base-Base interactions energy: -759.479 where: short stacking energy: -316.650 Base-Backbone interact. energy: -0.080 local terms energy: -363.108475 where: bonds (distance) C4'-P energy: -74.655 bonds (distance) P-C4' energy: -69.738 flat angles C4'-P-C4' energy: -86.748 flat angles P-C4'-P energy: -51.192 tors. eta vs tors. theta energy: -80.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1110.860363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.860363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.860363 (E_RNA) where: Base-Base interactions energy: -758.483 where: short stacking energy: -326.730 Base-Backbone interact. energy: -2.741 local terms energy: -349.635631 where: bonds (distance) C4'-P energy: -59.791 bonds (distance) P-C4' energy: -73.569 flat angles C4'-P-C4' energy: -78.438 flat angles P-C4'-P energy: -50.488 tors. eta vs tors. theta energy: -87.350 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: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -736.817110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.817110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.817110 (E_RNA) where: Base-Base interactions energy: -451.470 where: short stacking energy: -198.203 Base-Backbone interact. energy: 6.182 local terms energy: -291.528872 where: bonds (distance) C4'-P energy: -61.050 bonds (distance) P-C4' energy: -79.672 flat angles C4'-P-C4' energy: -78.713 flat angles P-C4'-P energy: -40.751 tors. eta vs tors. theta energy: -31.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -507.598941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.598941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.598941 (E_RNA) where: Base-Base interactions energy: -277.651 where: short stacking energy: -149.602 Base-Backbone interact. energy: 3.189 local terms energy: -233.136897 where: bonds (distance) C4'-P energy: -65.788 bonds (distance) P-C4' energy: -73.603 flat angles C4'-P-C4' energy: -57.148 flat angles P-C4'-P energy: -36.215 tors. eta vs tors. theta energy: -0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1549.347442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.347442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.347442 (E_RNA) where: Base-Base interactions energy: -1111.830 where: short stacking energy: -435.065 Base-Backbone interact. energy: -0.260 local terms energy: -437.257521 where: bonds (distance) C4'-P energy: -74.048 bonds (distance) P-C4' energy: -89.102 flat angles C4'-P-C4' energy: -96.774 flat angles P-C4'-P energy: -60.113 tors. eta vs tors. theta energy: -117.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1430.957650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.957650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.957650 (E_RNA) where: Base-Base interactions energy: -988.165 where: short stacking energy: -443.678 Base-Backbone interact. energy: -0.459 local terms energy: -442.334253 where: bonds (distance) C4'-P energy: -81.578 bonds (distance) P-C4' energy: -78.266 flat angles C4'-P-C4' energy: -92.340 flat angles P-C4'-P energy: -66.037 tors. eta vs tors. theta energy: -124.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1424.580263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.580263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.580263 (E_RNA) where: Base-Base interactions energy: -992.015 where: short stacking energy: -409.278 Base-Backbone interact. energy: -2.836 local terms energy: -429.728871 where: bonds (distance) C4'-P energy: -84.103 bonds (distance) P-C4' energy: -93.353 flat angles C4'-P-C4' energy: -85.808 flat angles P-C4'-P energy: -55.899 tors. eta vs tors. theta energy: -110.566 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: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1352.904137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.904137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.904137 (E_RNA) where: Base-Base interactions energy: -915.985 where: short stacking energy: -415.057 Base-Backbone interact. energy: -0.779 local terms energy: -436.140489 where: bonds (distance) C4'-P energy: -79.434 bonds (distance) P-C4' energy: -79.632 flat angles C4'-P-C4' energy: -92.354 flat angles P-C4'-P energy: -66.919 tors. eta vs tors. theta energy: -117.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1288.384914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.384914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.384914 (E_RNA) where: Base-Base interactions energy: -899.347 where: short stacking energy: -387.566 Base-Backbone interact. energy: 0.685 local terms energy: -389.722603 where: bonds (distance) C4'-P energy: -72.055 bonds (distance) P-C4' energy: -66.603 flat angles C4'-P-C4' energy: -85.075 flat angles P-C4'-P energy: -56.248 tors. eta vs tors. theta energy: -109.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1219.574445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.574445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.574445 (E_RNA) where: Base-Base interactions energy: -846.630 where: short stacking energy: -343.974 Base-Backbone interact. energy: 1.524 local terms energy: -374.468050 where: bonds (distance) C4'-P energy: -62.216 bonds (distance) P-C4' energy: -81.689 flat angles C4'-P-C4' energy: -86.339 flat angles P-C4'-P energy: -46.886 tors. eta vs tors. theta energy: -97.337 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: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1171.911578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.911578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.911578 (E_RNA) where: Base-Base interactions energy: -802.177 where: short stacking energy: -373.698 Base-Backbone interact. energy: 0.215 local terms energy: -369.949492 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -69.127 flat angles C4'-P-C4' energy: -82.944 flat angles P-C4'-P energy: -55.348 tors. eta vs tors. theta energy: -97.038 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: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1026.635975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.635975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.635975 (E_RNA) where: Base-Base interactions energy: -699.094 where: short stacking energy: -316.730 Base-Backbone interact. energy: 4.021 local terms energy: -331.563110 where: bonds (distance) C4'-P energy: -57.279 bonds (distance) P-C4' energy: -79.313 flat angles C4'-P-C4' energy: -76.337 flat angles P-C4'-P energy: -46.606 tors. eta vs tors. theta energy: -72.028 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: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -704.216578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.216578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.216578 (E_RNA) where: Base-Base interactions energy: -440.103 where: short stacking energy: -206.277 Base-Backbone interact. energy: 2.571 local terms energy: -266.684728 where: bonds (distance) C4'-P energy: -66.527 bonds (distance) P-C4' energy: -67.321 flat angles C4'-P-C4' energy: -73.873 flat angles P-C4'-P energy: -28.286 tors. eta vs tors. theta energy: -30.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -581.102466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.102466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.102466 (E_RNA) where: Base-Base interactions energy: -334.217 where: short stacking energy: -150.258 Base-Backbone interact. energy: 1.726 local terms energy: -248.611645 where: bonds (distance) C4'-P energy: -62.686 bonds (distance) P-C4' energy: -90.053 flat angles C4'-P-C4' energy: -52.597 flat angles P-C4'-P energy: -36.487 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1560.297411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.297411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.297411 (E_RNA) where: Base-Base interactions energy: -1118.724 where: short stacking energy: -426.353 Base-Backbone interact. energy: -2.203 local terms energy: -439.370324 where: bonds (distance) C4'-P energy: -88.679 bonds (distance) P-C4' energy: -81.372 flat angles C4'-P-C4' energy: -99.776 flat angles P-C4'-P energy: -52.580 tors. eta vs tors. theta energy: -116.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1461.082830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.082830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.082830 (E_RNA) where: Base-Base interactions energy: -1044.329 where: short stacking energy: -424.609 Base-Backbone interact. energy: -2.766 local terms energy: -413.987389 where: bonds (distance) C4'-P energy: -73.725 bonds (distance) P-C4' energy: -75.243 flat angles C4'-P-C4' energy: -96.510 flat angles P-C4'-P energy: -59.015 tors. eta vs tors. theta energy: -109.494 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: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1385.838862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.838862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.838862 (E_RNA) where: Base-Base interactions energy: -933.427 where: short stacking energy: -439.964 Base-Backbone interact. energy: -2.029 local terms energy: -450.383176 where: bonds (distance) C4'-P energy: -84.739 bonds (distance) P-C4' energy: -83.726 flat angles C4'-P-C4' energy: -98.493 flat angles P-C4'-P energy: -60.592 tors. eta vs tors. theta energy: -122.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1351.812622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.812622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.812622 (E_RNA) where: Base-Base interactions energy: -916.632 where: short stacking energy: -413.080 Base-Backbone interact. energy: -1.388 local terms energy: -433.792477 where: bonds (distance) C4'-P energy: -72.569 bonds (distance) P-C4' energy: -83.258 flat angles C4'-P-C4' energy: -93.869 flat angles P-C4'-P energy: -61.281 tors. eta vs tors. theta energy: -122.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1291.446050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.446050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.446050 (E_RNA) where: Base-Base interactions energy: -890.337 where: short stacking energy: -397.582 Base-Backbone interact. energy: -2.251 local terms energy: -398.858124 where: bonds (distance) C4'-P energy: -65.891 bonds (distance) P-C4' energy: -88.107 flat angles C4'-P-C4' energy: -75.513 flat angles P-C4'-P energy: -57.387 tors. eta vs tors. theta energy: -111.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1227.330314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.330314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.330314 (E_RNA) where: Base-Base interactions energy: -850.775 where: short stacking energy: -387.699 Base-Backbone interact. energy: -0.089 local terms energy: -376.465975 where: bonds (distance) C4'-P energy: -58.276 bonds (distance) P-C4' energy: -70.239 flat angles C4'-P-C4' energy: -86.630 flat angles P-C4'-P energy: -52.273 tors. eta vs tors. theta energy: -109.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1209.276752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.276752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.276752 (E_RNA) where: Base-Base interactions energy: -820.680 where: short stacking energy: -338.519 Base-Backbone interact. energy: -1.931 local terms energy: -386.665493 where: bonds (distance) C4'-P energy: -67.651 bonds (distance) P-C4' energy: -88.414 flat angles C4'-P-C4' energy: -83.683 flat angles P-C4'-P energy: -60.831 tors. eta vs tors. theta energy: -86.086 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: 337 Temperature: 1.250000 Total energy: -937.450839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.450839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.450839 (E_RNA) where: Base-Base interactions energy: -615.068 where: short stacking energy: -260.873 Base-Backbone interact. energy: -3.722 local terms energy: -318.660826 where: bonds (distance) C4'-P energy: -70.619 bonds (distance) P-C4' energy: -84.530 flat angles C4'-P-C4' energy: -73.567 flat angles P-C4'-P energy: -33.003 tors. eta vs tors. theta energy: -56.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -757.684313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.684313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.684313 (E_RNA) where: Base-Base interactions energy: -459.907 where: short stacking energy: -217.302 Base-Backbone interact. energy: 0.882 local terms energy: -298.659480 where: bonds (distance) C4'-P energy: -58.923 bonds (distance) P-C4' energy: -85.869 flat angles C4'-P-C4' energy: -66.734 flat angles P-C4'-P energy: -54.142 tors. eta vs tors. theta energy: -32.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -605.901880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.901880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.901880 (E_RNA) where: Base-Base interactions energy: -362.733 where: short stacking energy: -167.035 Base-Backbone interact. energy: 0.254 local terms energy: -243.422843 where: bonds (distance) C4'-P energy: -65.012 bonds (distance) P-C4' energy: -70.795 flat angles C4'-P-C4' energy: -59.394 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -3.374 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: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1497.648121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.648121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.648121 (E_RNA) where: Base-Base interactions energy: -1058.601 where: short stacking energy: -435.675 Base-Backbone interact. energy: -1.145 local terms energy: -437.901802 where: bonds (distance) C4'-P energy: -78.680 bonds (distance) P-C4' energy: -80.614 flat angles C4'-P-C4' energy: -103.140 flat angles P-C4'-P energy: -64.740 tors. eta vs tors. theta energy: -110.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1502.730700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.730700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.730700 (E_RNA) where: Base-Base interactions energy: -1067.362 where: short stacking energy: -431.744 Base-Backbone interact. energy: -2.354 local terms energy: -433.877332 where: bonds (distance) C4'-P energy: -77.771 bonds (distance) P-C4' energy: -88.683 flat angles C4'-P-C4' energy: -92.136 flat angles P-C4'-P energy: -59.073 tors. eta vs tors. theta energy: -116.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.862 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1393.687647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.687647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.687647 (E_RNA) where: Base-Base interactions energy: -948.535 where: short stacking energy: -409.832 Base-Backbone interact. energy: -1.953 local terms energy: -443.200294 where: bonds (distance) C4'-P energy: -78.087 bonds (distance) P-C4' energy: -82.298 flat angles C4'-P-C4' energy: -90.716 flat angles P-C4'-P energy: -66.721 tors. eta vs tors. theta energy: -125.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1337.070045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.070045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.070045 (E_RNA) where: Base-Base interactions energy: -927.584 where: short stacking energy: -387.676 Base-Backbone interact. energy: -2.778 local terms energy: -406.707908 where: bonds (distance) C4'-P energy: -87.603 bonds (distance) P-C4' energy: -69.697 flat angles C4'-P-C4' energy: -84.294 flat angles P-C4'-P energy: -58.728 tors. eta vs tors. theta energy: -106.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1350.029198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.029198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.029198 (E_RNA) where: Base-Base interactions energy: -933.220 where: short stacking energy: -404.375 Base-Backbone interact. energy: -2.310 local terms energy: -414.499635 where: bonds (distance) C4'-P energy: -72.842 bonds (distance) P-C4' energy: -86.522 flat angles C4'-P-C4' energy: -83.855 flat angles P-C4'-P energy: -61.817 tors. eta vs tors. theta energy: -109.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1271.599865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.599865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.599865 (E_RNA) where: Base-Base interactions energy: -879.616 where: short stacking energy: -399.537 Base-Backbone interact. energy: 0.027 local terms energy: -392.011465 where: bonds (distance) C4'-P energy: -75.921 bonds (distance) P-C4' energy: -70.105 flat angles C4'-P-C4' energy: -82.073 flat angles P-C4'-P energy: -57.765 tors. eta vs tors. theta energy: -106.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1210.880600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.880600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.880600 (E_RNA) where: Base-Base interactions energy: -857.380 where: short stacking energy: -373.258 Base-Backbone interact. energy: 0.014 local terms energy: -353.514947 where: bonds (distance) C4'-P energy: -67.089 bonds (distance) P-C4' energy: -53.040 flat angles C4'-P-C4' energy: -86.523 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -99.737 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: 338 Temperature: 1.250000 Total energy: -943.257280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.257280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.257280 (E_RNA) where: Base-Base interactions energy: -618.479 where: short stacking energy: -289.549 Base-Backbone interact. energy: -1.541 local terms energy: -323.237504 where: bonds (distance) C4'-P energy: -64.913 bonds (distance) P-C4' energy: -70.493 flat angles C4'-P-C4' energy: -80.777 flat angles P-C4'-P energy: -40.773 tors. eta vs tors. theta energy: -66.281 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: 9, replica: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -745.459793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.459793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.459793 (E_RNA) where: Base-Base interactions energy: -473.804 where: short stacking energy: -220.512 Base-Backbone interact. energy: 1.017 local terms energy: -272.672711 where: bonds (distance) C4'-P energy: -74.427 bonds (distance) P-C4' energy: -66.733 flat angles C4'-P-C4' energy: -51.923 flat angles P-C4'-P energy: -48.205 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: 10, replica: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -597.497257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.497257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.497257 (E_RNA) where: Base-Base interactions energy: -334.169 where: short stacking energy: -155.176 Base-Backbone interact. energy: 0.626 local terms energy: -263.954644 where: bonds (distance) C4'-P energy: -84.847 bonds (distance) P-C4' energy: -79.797 flat angles C4'-P-C4' energy: -53.062 flat angles P-C4'-P energy: -33.617 tors. eta vs tors. theta energy: -12.631 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: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1500.528180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.528180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.528180 (E_RNA) where: Base-Base interactions energy: -1059.383 where: short stacking energy: -438.916 Base-Backbone interact. energy: -3.582 local terms energy: -437.563022 where: bonds (distance) C4'-P energy: -81.474 bonds (distance) P-C4' energy: -96.654 flat angles C4'-P-C4' energy: -91.846 flat angles P-C4'-P energy: -59.942 tors. eta vs tors. theta energy: -107.647 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: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1480.878679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.878679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.878679 (E_RNA) where: Base-Base interactions energy: -1045.030 where: short stacking energy: -412.735 Base-Backbone interact. energy: 0.218 local terms energy: -436.067338 where: bonds (distance) C4'-P energy: -83.250 bonds (distance) P-C4' energy: -88.040 flat angles C4'-P-C4' energy: -98.375 flat angles P-C4'-P energy: -47.851 tors. eta vs tors. theta energy: -118.551 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: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1356.940076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.940076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.940076 (E_RNA) where: Base-Base interactions energy: -924.362 where: short stacking energy: -395.321 Base-Backbone interact. energy: -0.369 local terms energy: -432.209763 where: bonds (distance) C4'-P energy: -83.916 bonds (distance) P-C4' energy: -77.756 flat angles C4'-P-C4' energy: -92.442 flat angles P-C4'-P energy: -62.123 tors. eta vs tors. theta energy: -115.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1354.361382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.361382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.361382 (E_RNA) where: Base-Base interactions energy: -933.913 where: short stacking energy: -410.259 Base-Backbone interact. energy: -0.882 local terms energy: -419.566446 where: bonds (distance) C4'-P energy: -79.969 bonds (distance) P-C4' energy: -64.047 flat angles C4'-P-C4' energy: -102.112 flat angles P-C4'-P energy: -58.360 tors. eta vs tors. theta energy: -115.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1327.377832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.377832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.377832 (E_RNA) where: Base-Base interactions energy: -923.058 where: short stacking energy: -395.578 Base-Backbone interact. energy: -0.745 local terms energy: -403.574485 where: bonds (distance) C4'-P energy: -66.747 bonds (distance) P-C4' energy: -84.817 flat angles C4'-P-C4' energy: -94.200 flat angles P-C4'-P energy: -49.004 tors. eta vs tors. theta energy: -108.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1229.188193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.188193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.188193 (E_RNA) where: Base-Base interactions energy: -848.155 where: short stacking energy: -384.590 Base-Backbone interact. energy: -1.199 local terms energy: -379.834127 where: bonds (distance) C4'-P energy: -73.407 bonds (distance) P-C4' energy: -67.464 flat angles C4'-P-C4' energy: -86.688 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -102.670 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: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1185.641720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.641720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.641720 (E_RNA) where: Base-Base interactions energy: -830.808 where: short stacking energy: -340.228 Base-Backbone interact. energy: -0.902 local terms energy: -353.932454 where: bonds (distance) C4'-P energy: -58.249 bonds (distance) P-C4' energy: -78.803 flat angles C4'-P-C4' energy: -76.992 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: -83.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -937.412542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.412542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.412542 (E_RNA) where: Base-Base interactions energy: -596.443 where: short stacking energy: -264.006 Base-Backbone interact. energy: -0.952 local terms energy: -340.018062 where: bonds (distance) C4'-P energy: -73.311 bonds (distance) P-C4' energy: -83.127 flat angles C4'-P-C4' energy: -66.105 flat angles P-C4'-P energy: -57.667 tors. eta vs tors. theta energy: -59.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -799.470429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.470429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.470429 (E_RNA) where: Base-Base interactions energy: -520.889 where: short stacking energy: -202.137 Base-Backbone interact. energy: 7.588 local terms energy: -286.169383 where: bonds (distance) C4'-P energy: -62.536 bonds (distance) P-C4' energy: -73.068 flat angles C4'-P-C4' energy: -70.010 flat angles P-C4'-P energy: -48.970 tors. eta vs tors. theta energy: -31.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -600.213891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.213891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.213891 (E_RNA) where: Base-Base interactions energy: -359.368 where: short stacking energy: -181.831 Base-Backbone interact. energy: -1.060 local terms energy: -239.785268 where: bonds (distance) C4'-P energy: -69.045 bonds (distance) P-C4' energy: -50.437 flat angles C4'-P-C4' energy: -59.007 flat angles P-C4'-P energy: -44.198 tors. eta vs tors. theta energy: -17.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1483.614950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.614950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.614950 (E_RNA) where: Base-Base interactions energy: -1034.124 where: short stacking energy: -435.093 Base-Backbone interact. energy: -2.523 local terms energy: -446.967942 where: bonds (distance) C4'-P energy: -76.410 bonds (distance) P-C4' energy: -93.633 flat angles C4'-P-C4' energy: -104.720 flat angles P-C4'-P energy: -59.061 tors. eta vs tors. theta energy: -113.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1450.324851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.324851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.324851 (E_RNA) where: Base-Base interactions energy: -1019.513 where: short stacking energy: -415.282 Base-Backbone interact. energy: -0.442 local terms energy: -430.369908 where: bonds (distance) C4'-P energy: -83.204 bonds (distance) P-C4' energy: -83.955 flat angles C4'-P-C4' energy: -99.418 flat angles P-C4'-P energy: -58.830 tors. eta vs tors. theta energy: -104.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1396.525562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.525562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.525562 (E_RNA) where: Base-Base interactions energy: -955.483 where: short stacking energy: -419.477 Base-Backbone interact. energy: -1.158 local terms energy: -439.885019 where: bonds (distance) C4'-P energy: -79.758 bonds (distance) P-C4' energy: -80.222 flat angles C4'-P-C4' energy: -93.100 flat angles P-C4'-P energy: -63.325 tors. eta vs tors. theta energy: -123.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1362.701527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.701527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.701527 (E_RNA) where: Base-Base interactions energy: -948.955 where: short stacking energy: -414.388 Base-Backbone interact. energy: -1.657 local terms energy: -412.869469 where: bonds (distance) C4'-P energy: -69.097 bonds (distance) P-C4' energy: -88.428 flat angles C4'-P-C4' energy: -95.029 flat angles P-C4'-P energy: -41.786 tors. eta vs tors. theta energy: -118.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.780 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1309.681528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.681528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.681528 (E_RNA) where: Base-Base interactions energy: -894.575 where: short stacking energy: -382.504 Base-Backbone interact. energy: -1.528 local terms energy: -413.578849 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -84.442 flat angles C4'-P-C4' energy: -88.322 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -111.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1182.805196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.805196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.805196 (E_RNA) where: Base-Base interactions energy: -800.843 where: short stacking energy: -371.635 Base-Backbone interact. energy: 3.049 local terms energy: -385.011849 where: bonds (distance) C4'-P energy: -59.245 bonds (distance) P-C4' energy: -78.866 flat angles C4'-P-C4' energy: -78.346 flat angles P-C4'-P energy: -58.214 tors. eta vs tors. theta energy: -110.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1133.448939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.448939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.448939 (E_RNA) where: Base-Base interactions energy: -773.330 where: short stacking energy: -311.573 Base-Backbone interact. energy: -4.633 local terms energy: -355.485406 where: bonds (distance) C4'-P energy: -75.912 bonds (distance) P-C4' energy: -77.762 flat angles C4'-P-C4' energy: -83.034 flat angles P-C4'-P energy: -40.032 tors. eta vs tors. theta energy: -78.746 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: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -945.143142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.143142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.143142 (E_RNA) where: Base-Base interactions energy: -606.369 where: short stacking energy: -303.959 Base-Backbone interact. energy: -1.086 local terms energy: -337.687885 where: bonds (distance) C4'-P energy: -64.616 bonds (distance) P-C4' energy: -70.788 flat angles C4'-P-C4' energy: -75.164 flat angles P-C4'-P energy: -46.109 tors. eta vs tors. theta energy: -81.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -834.641580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.641580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.641580 (E_RNA) where: Base-Base interactions energy: -535.855 where: short stacking energy: -226.121 Base-Backbone interact. energy: 2.873 local terms energy: -301.658969 where: bonds (distance) C4'-P energy: -72.521 bonds (distance) P-C4' energy: -86.275 flat angles C4'-P-C4' energy: -55.590 flat angles P-C4'-P energy: -40.736 tors. eta vs tors. theta energy: -46.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -604.334547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.334547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.334547 (E_RNA) where: Base-Base interactions energy: -353.664 where: short stacking energy: -159.585 Base-Backbone interact. energy: -1.690 local terms energy: -248.980206 where: bonds (distance) C4'-P energy: -61.730 bonds (distance) P-C4' energy: -68.276 flat angles C4'-P-C4' energy: -80.577 flat angles P-C4'-P energy: -32.214 tors. eta vs tors. theta energy: -6.184 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: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1492.711904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.711904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.711904 (E_RNA) where: Base-Base interactions energy: -1048.896 where: short stacking energy: -427.701 Base-Backbone interact. energy: -0.136 local terms energy: -443.680725 where: bonds (distance) C4'-P energy: -74.901 bonds (distance) P-C4' energy: -90.533 flat angles C4'-P-C4' energy: -97.062 flat angles P-C4'-P energy: -63.275 tors. eta vs tors. theta energy: -117.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1452.589069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.589069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.589069 (E_RNA) where: Base-Base interactions energy: -1030.761 where: short stacking energy: -410.758 Base-Backbone interact. energy: 3.916 local terms energy: -425.743674 where: bonds (distance) C4'-P energy: -85.204 bonds (distance) P-C4' energy: -74.850 flat angles C4'-P-C4' energy: -83.832 flat angles P-C4'-P energy: -68.846 tors. eta vs tors. theta energy: -113.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1371.798701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.798701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.798701 (E_RNA) where: Base-Base interactions energy: -931.750 where: short stacking energy: -420.697 Base-Backbone interact. energy: -1.315 local terms energy: -438.733164 where: bonds (distance) C4'-P energy: -71.183 bonds (distance) P-C4' energy: -88.052 flat angles C4'-P-C4' energy: -89.423 flat angles P-C4'-P energy: -72.640 tors. eta vs tors. theta energy: -117.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1392.497069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.497069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.497069 (E_RNA) where: Base-Base interactions energy: -973.186 where: short stacking energy: -414.852 Base-Backbone interact. energy: -1.323 local terms energy: -418.094981 where: bonds (distance) C4'-P energy: -69.843 bonds (distance) P-C4' energy: -77.998 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -57.692 tors. eta vs tors. theta energy: -118.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.107 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1293.016593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.016593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.016593 (E_RNA) where: Base-Base interactions energy: -915.095 where: short stacking energy: -382.821 Base-Backbone interact. energy: -1.675 local terms energy: -376.246787 where: bonds (distance) C4'-P energy: -61.513 bonds (distance) P-C4' energy: -69.900 flat angles C4'-P-C4' energy: -88.952 flat angles P-C4'-P energy: -59.282 tors. eta vs tors. theta energy: -96.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1236.599160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.599160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.599160 (E_RNA) where: Base-Base interactions energy: -848.863 where: short stacking energy: -360.407 Base-Backbone interact. energy: 0.493 local terms energy: -388.228972 where: bonds (distance) C4'-P energy: -78.939 bonds (distance) P-C4' energy: -77.980 flat angles C4'-P-C4' energy: -85.049 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -92.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1154.572097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.572097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.572097 (E_RNA) where: Base-Base interactions energy: -777.362 where: short stacking energy: -335.873 Base-Backbone interact. energy: -1.617 local terms energy: -375.593168 where: bonds (distance) C4'-P energy: -74.850 bonds (distance) P-C4' energy: -72.273 flat angles C4'-P-C4' energy: -79.876 flat angles P-C4'-P energy: -54.228 tors. eta vs tors. theta energy: -94.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -963.128781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.128781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.128781 (E_RNA) where: Base-Base interactions energy: -634.052 where: short stacking energy: -289.441 Base-Backbone interact. energy: -2.219 local terms energy: -326.857442 where: bonds (distance) C4'-P energy: -61.500 bonds (distance) P-C4' energy: -65.230 flat angles C4'-P-C4' energy: -71.765 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: -72.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -739.506908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.506908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.506908 (E_RNA) where: Base-Base interactions energy: -450.738 where: short stacking energy: -192.747 Base-Backbone interact. energy: -0.831 local terms energy: -287.937740 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -67.584 flat angles C4'-P-C4' energy: -67.554 flat angles P-C4'-P energy: -49.903 tors. eta vs tors. theta energy: -25.932 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: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -615.200966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.200966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.200966 (E_RNA) where: Base-Base interactions energy: -375.224 where: short stacking energy: -184.622 Base-Backbone interact. energy: -1.442 local terms energy: -238.535159 where: bonds (distance) C4'-P energy: -55.850 bonds (distance) P-C4' energy: -72.978 flat angles C4'-P-C4' energy: -54.496 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: -22.345 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: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1489.959216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.959216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.959216 (E_RNA) where: Base-Base interactions energy: -1061.983 where: short stacking energy: -435.747 Base-Backbone interact. energy: 3.227 local terms energy: -431.203731 where: bonds (distance) C4'-P energy: -87.634 bonds (distance) P-C4' energy: -72.829 flat angles C4'-P-C4' energy: -95.238 flat angles P-C4'-P energy: -66.879 tors. eta vs tors. theta energy: -108.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1486.889783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.889783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.889783 (E_RNA) where: Base-Base interactions energy: -1056.586 where: short stacking energy: -430.856 Base-Backbone interact. energy: 1.536 local terms energy: -432.614273 where: bonds (distance) C4'-P energy: -81.313 bonds (distance) P-C4' energy: -78.645 flat angles C4'-P-C4' energy: -92.189 flat angles P-C4'-P energy: -59.267 tors. eta vs tors. theta energy: -121.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.774 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1395.923567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.923567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.923567 (E_RNA) where: Base-Base interactions energy: -954.450 where: short stacking energy: -423.377 Base-Backbone interact. energy: -1.730 local terms energy: -439.744115 where: bonds (distance) C4'-P energy: -77.943 bonds (distance) P-C4' energy: -86.723 flat angles C4'-P-C4' energy: -89.093 flat angles P-C4'-P energy: -69.463 tors. eta vs tors. theta energy: -116.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1372.993836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.993836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.993836 (E_RNA) where: Base-Base interactions energy: -935.519 where: short stacking energy: -384.504 Base-Backbone interact. energy: -2.964 local terms energy: -434.510489 where: bonds (distance) C4'-P energy: -82.791 bonds (distance) P-C4' energy: -74.469 flat angles C4'-P-C4' energy: -93.606 flat angles P-C4'-P energy: -65.588 tors. eta vs tors. theta energy: -118.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1288.086245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.086245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.086245 (E_RNA) where: Base-Base interactions energy: -906.039 where: short stacking energy: -391.675 Base-Backbone interact. energy: -0.036 local terms energy: -382.011604 where: bonds (distance) C4'-P energy: -67.094 bonds (distance) P-C4' energy: -78.800 flat angles C4'-P-C4' energy: -86.594 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -106.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1224.271838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.271838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.271838 (E_RNA) where: Base-Base interactions energy: -858.755 where: short stacking energy: -372.594 Base-Backbone interact. energy: 4.310 local terms energy: -369.826841 where: bonds (distance) C4'-P energy: -64.421 bonds (distance) P-C4' energy: -73.045 flat angles C4'-P-C4' energy: -81.165 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: -90.546 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: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1121.946998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.946998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.946998 (E_RNA) where: Base-Base interactions energy: -780.320 where: short stacking energy: -331.572 Base-Backbone interact. energy: 0.410 local terms energy: -342.037109 where: bonds (distance) C4'-P energy: -53.512 bonds (distance) P-C4' energy: -72.961 flat angles C4'-P-C4' energy: -78.837 flat angles P-C4'-P energy: -54.512 tors. eta vs tors. theta energy: -82.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -953.030315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.030315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.030315 (E_RNA) where: Base-Base interactions energy: -630.379 where: short stacking energy: -286.591 Base-Backbone interact. energy: 7.627 local terms energy: -330.278138 where: bonds (distance) C4'-P energy: -72.497 bonds (distance) P-C4' energy: -59.468 flat angles C4'-P-C4' energy: -79.414 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -73.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -697.820167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.820167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.820167 (E_RNA) where: Base-Base interactions energy: -443.493 where: short stacking energy: -193.598 Base-Backbone interact. energy: 3.300 local terms energy: -257.626658 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -79.818 flat angles C4'-P-C4' energy: -59.768 flat angles P-C4'-P energy: -38.159 tors. eta vs tors. theta energy: -19.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -632.007625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.007625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.007625 (E_RNA) where: Base-Base interactions energy: -393.397 where: short stacking energy: -193.570 Base-Backbone interact. energy: 0.797 local terms energy: -239.407461 where: bonds (distance) C4'-P energy: -48.101 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -38.447 tors. eta vs tors. theta energy: -21.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1510.643472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.643472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.643472 (E_RNA) where: Base-Base interactions energy: -1059.507 where: short stacking energy: -430.740 Base-Backbone interact. energy: -2.601 local terms energy: -448.535205 where: bonds (distance) C4'-P energy: -83.702 bonds (distance) P-C4' energy: -93.284 flat angles C4'-P-C4' energy: -94.251 flat angles P-C4'-P energy: -60.236 tors. eta vs tors. theta energy: -117.062 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: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1497.805764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.805764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.805764 (E_RNA) where: Base-Base interactions energy: -1061.701 where: short stacking energy: -413.951 Base-Backbone interact. energy: -2.164 local terms energy: -434.044429 where: bonds (distance) C4'-P energy: -93.481 bonds (distance) P-C4' energy: -84.800 flat angles C4'-P-C4' energy: -88.716 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -116.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.104 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1390.942165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.942165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.942165 (E_RNA) where: Base-Base interactions energy: -960.585 where: short stacking energy: -416.977 Base-Backbone interact. energy: -1.030 local terms energy: -429.327799 where: bonds (distance) C4'-P energy: -78.627 bonds (distance) P-C4' energy: -72.588 flat angles C4'-P-C4' energy: -96.266 flat angles P-C4'-P energy: -63.703 tors. eta vs tors. theta energy: -118.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1337.883576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.883576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.883576 (E_RNA) where: Base-Base interactions energy: -919.991 where: short stacking energy: -419.076 Base-Backbone interact. energy: 1.709 local terms energy: -419.600868 where: bonds (distance) C4'-P energy: -73.174 bonds (distance) P-C4' energy: -77.895 flat angles C4'-P-C4' energy: -90.136 flat angles P-C4'-P energy: -62.606 tors. eta vs tors. theta energy: -115.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1296.132373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.132373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.132373 (E_RNA) where: Base-Base interactions energy: -878.735 where: short stacking energy: -380.984 Base-Backbone interact. energy: -0.982 local terms energy: -416.414877 where: bonds (distance) C4'-P energy: -81.471 bonds (distance) P-C4' energy: -78.167 flat angles C4'-P-C4' energy: -90.474 flat angles P-C4'-P energy: -61.682 tors. eta vs tors. theta energy: -104.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1234.116560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.116560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.116560 (E_RNA) where: Base-Base interactions energy: -838.053 where: short stacking energy: -363.786 Base-Backbone interact. energy: -0.472 local terms energy: -395.591470 where: bonds (distance) C4'-P energy: -78.581 bonds (distance) P-C4' energy: -66.183 flat angles C4'-P-C4' energy: -88.543 flat angles P-C4'-P energy: -61.674 tors. eta vs tors. theta energy: -100.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1052.370952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.370952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.370952 (E_RNA) where: Base-Base interactions energy: -718.411 where: short stacking energy: -334.190 Base-Backbone interact. energy: -0.497 local terms energy: -333.463214 where: bonds (distance) C4'-P energy: -74.085 bonds (distance) P-C4' energy: -64.258 flat angles C4'-P-C4' energy: -68.124 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: -76.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -977.099277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.099277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.099277 (E_RNA) where: Base-Base interactions energy: -650.175 where: short stacking energy: -293.484 Base-Backbone interact. energy: 0.143 local terms energy: -327.067858 where: bonds (distance) C4'-P energy: -59.966 bonds (distance) P-C4' energy: -74.618 flat angles C4'-P-C4' energy: -71.528 flat angles P-C4'-P energy: -49.743 tors. eta vs tors. theta energy: -71.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -728.349260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.349260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.349260 (E_RNA) where: Base-Base interactions energy: -446.773 where: short stacking energy: -203.010 Base-Backbone interact. energy: 6.672 local terms energy: -288.248539 where: bonds (distance) C4'-P energy: -67.764 bonds (distance) P-C4' energy: -80.239 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -48.631 tors. eta vs tors. theta energy: -26.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -604.254064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.254064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.254064 (E_RNA) where: Base-Base interactions energy: -353.389 where: short stacking energy: -151.400 Base-Backbone interact. energy: -0.842 local terms energy: -250.023470 where: bonds (distance) C4'-P energy: -63.993 bonds (distance) P-C4' energy: -78.363 flat angles C4'-P-C4' energy: -64.174 flat angles P-C4'-P energy: -38.507 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: 1, replica: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1519.235097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.235097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.235097 (E_RNA) where: Base-Base interactions energy: -1107.366 where: short stacking energy: -425.122 Base-Backbone interact. energy: -0.602 local terms energy: -411.267902 where: bonds (distance) C4'-P energy: -70.067 bonds (distance) P-C4' energy: -76.399 flat angles C4'-P-C4' energy: -86.017 flat angles P-C4'-P energy: -60.663 tors. eta vs tors. theta energy: -118.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1471.740635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.740635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.740635 (E_RNA) where: Base-Base interactions energy: -1042.192 where: short stacking energy: -418.226 Base-Backbone interact. energy: -2.018 local terms energy: -427.530324 where: bonds (distance) C4'-P energy: -81.748 bonds (distance) P-C4' energy: -84.165 flat angles C4'-P-C4' energy: -93.190 flat angles P-C4'-P energy: -57.476 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: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1411.583295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.583295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.583295 (E_RNA) where: Base-Base interactions energy: -977.724 where: short stacking energy: -425.437 Base-Backbone interact. energy: -0.036 local terms energy: -433.822951 where: bonds (distance) C4'-P energy: -79.668 bonds (distance) P-C4' energy: -69.212 flat angles C4'-P-C4' energy: -96.316 flat angles P-C4'-P energy: -67.801 tors. eta vs tors. theta energy: -120.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1349.620233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.620233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.620233 (E_RNA) where: Base-Base interactions energy: -911.460 where: short stacking energy: -392.717 Base-Backbone interact. energy: -2.308 local terms energy: -435.852527 where: bonds (distance) C4'-P energy: -90.086 bonds (distance) P-C4' energy: -81.610 flat angles C4'-P-C4' energy: -90.796 flat angles P-C4'-P energy: -61.505 tors. eta vs tors. theta energy: -111.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1297.834180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.834180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.834180 (E_RNA) where: Base-Base interactions energy: -928.907 where: short stacking energy: -398.720 Base-Backbone interact. energy: 1.088 local terms energy: -370.015698 where: bonds (distance) C4'-P energy: -74.041 bonds (distance) P-C4' energy: -70.947 flat angles C4'-P-C4' energy: -66.716 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: -101.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1241.042393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.042393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.042393 (E_RNA) where: Base-Base interactions energy: -842.051 where: short stacking energy: -351.809 Base-Backbone interact. energy: -2.590 local terms energy: -396.402025 where: bonds (distance) C4'-P energy: -74.869 bonds (distance) P-C4' energy: -90.156 flat angles C4'-P-C4' energy: -80.019 flat angles P-C4'-P energy: -55.738 tors. eta vs tors. theta energy: -95.619 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: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -927.874081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.874081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.874081 (E_RNA) where: Base-Base interactions energy: -610.001 where: short stacking energy: -252.471 Base-Backbone interact. energy: -0.763 local terms energy: -317.110322 where: bonds (distance) C4'-P energy: -73.154 bonds (distance) P-C4' energy: -72.779 flat angles C4'-P-C4' energy: -67.810 flat angles P-C4'-P energy: -42.875 tors. eta vs tors. theta energy: -60.493 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: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1008.200529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.200529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.200529 (E_RNA) where: Base-Base interactions energy: -648.900 where: short stacking energy: -304.710 Base-Backbone interact. energy: -0.404 local terms energy: -358.897262 where: bonds (distance) C4'-P energy: -81.091 bonds (distance) P-C4' energy: -77.548 flat angles C4'-P-C4' energy: -87.319 flat angles P-C4'-P energy: -30.147 tors. eta vs tors. theta energy: -82.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -733.001167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.001167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.001167 (E_RNA) where: Base-Base interactions energy: -484.670 where: short stacking energy: -208.945 Base-Backbone interact. energy: -0.464 local terms energy: -247.867042 where: bonds (distance) C4'-P energy: -52.546 bonds (distance) P-C4' energy: -56.331 flat angles C4'-P-C4' energy: -74.521 flat angles P-C4'-P energy: -39.695 tors. eta vs tors. theta energy: -24.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -596.600071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.600071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.600071 (E_RNA) where: Base-Base interactions energy: -339.234 where: short stacking energy: -164.331 Base-Backbone interact. energy: -1.336 local terms energy: -256.029548 where: bonds (distance) C4'-P energy: -68.645 bonds (distance) P-C4' energy: -72.225 flat angles C4'-P-C4' energy: -62.959 flat angles P-C4'-P energy: -34.105 tors. eta vs tors. theta energy: -18.095 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: 345 Temperature: 0.900000 Total energy: -1512.364507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.364507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.364507 (E_RNA) where: Base-Base interactions energy: -1065.295 where: short stacking energy: -421.367 Base-Backbone interact. energy: -0.434 local terms energy: -446.635255 where: bonds (distance) C4'-P energy: -88.891 bonds (distance) P-C4' energy: -93.197 flat angles C4'-P-C4' energy: -89.630 flat angles P-C4'-P energy: -61.848 tors. eta vs tors. theta energy: -113.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1450.819142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.819142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.819142 (E_RNA) where: Base-Base interactions energy: -1041.346 where: short stacking energy: -414.469 Base-Backbone interact. energy: -3.500 local terms energy: -405.972753 where: bonds (distance) C4'-P energy: -69.747 bonds (distance) P-C4' energy: -83.779 flat angles C4'-P-C4' energy: -83.415 flat angles P-C4'-P energy: -59.262 tors. eta vs tors. theta energy: -109.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1431.958553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.958553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.958553 (E_RNA) where: Base-Base interactions energy: -982.893 where: short stacking energy: -438.175 Base-Backbone interact. energy: -1.987 local terms energy: -447.078700 where: bonds (distance) C4'-P energy: -74.900 bonds (distance) P-C4' energy: -77.598 flat angles C4'-P-C4' energy: -97.399 flat angles P-C4'-P energy: -66.746 tors. eta vs tors. theta energy: -130.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1333.992057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.992057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.992057 (E_RNA) where: Base-Base interactions energy: -910.851 where: short stacking energy: -403.046 Base-Backbone interact. energy: -1.267 local terms energy: -421.874459 where: bonds (distance) C4'-P energy: -73.491 bonds (distance) P-C4' energy: -87.524 flat angles C4'-P-C4' energy: -84.404 flat angles P-C4'-P energy: -59.874 tors. eta vs tors. theta energy: -116.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1294.652824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.652824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.652824 (E_RNA) where: Base-Base interactions energy: -892.604 where: short stacking energy: -398.184 Base-Backbone interact. energy: -0.985 local terms energy: -401.063064 where: bonds (distance) C4'-P energy: -61.281 bonds (distance) P-C4' energy: -71.789 flat angles C4'-P-C4' energy: -99.323 flat angles P-C4'-P energy: -52.573 tors. eta vs tors. theta energy: -116.098 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: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1209.945276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.945276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.945276 (E_RNA) where: Base-Base interactions energy: -828.324 where: short stacking energy: -341.925 Base-Backbone interact. energy: 4.768 local terms energy: -386.388584 where: bonds (distance) C4'-P energy: -69.675 bonds (distance) P-C4' energy: -84.368 flat angles C4'-P-C4' energy: -91.485 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: -93.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -979.029308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.029308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.029308 (E_RNA) where: Base-Base interactions energy: -640.393 where: short stacking energy: -289.747 Base-Backbone interact. energy: -1.923 local terms energy: -336.713017 where: bonds (distance) C4'-P energy: -61.308 bonds (distance) P-C4' energy: -58.455 flat angles C4'-P-C4' energy: -91.692 flat angles P-C4'-P energy: -56.678 tors. eta vs tors. theta energy: -68.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1026.207220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.207220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.207220 (E_RNA) where: Base-Base interactions energy: -698.247 where: short stacking energy: -315.293 Base-Backbone interact. energy: 0.957 local terms energy: -328.916486 where: bonds (distance) C4'-P energy: -60.455 bonds (distance) P-C4' energy: -66.486 flat angles C4'-P-C4' energy: -85.040 flat angles P-C4'-P energy: -39.895 tors. eta vs tors. theta energy: -77.041 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: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -774.360697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.360697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.360697 (E_RNA) where: Base-Base interactions energy: -486.080 where: short stacking energy: -237.341 Base-Backbone interact. energy: 0.372 local terms energy: -288.652445 where: bonds (distance) C4'-P energy: -60.546 bonds (distance) P-C4' energy: -66.252 flat angles C4'-P-C4' energy: -66.694 flat angles P-C4'-P energy: -51.482 tors. eta vs tors. theta energy: -43.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -616.711563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.711563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.711563 (E_RNA) where: Base-Base interactions energy: -347.824 where: short stacking energy: -177.686 Base-Backbone interact. energy: -1.340 local terms energy: -267.547462 where: bonds (distance) C4'-P energy: -62.345 bonds (distance) P-C4' energy: -71.090 flat angles C4'-P-C4' energy: -81.444 flat angles P-C4'-P energy: -36.131 tors. eta vs tors. theta energy: -16.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1523.984182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.984182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.984182 (E_RNA) where: Base-Base interactions energy: -1088.196 where: short stacking energy: -434.361 Base-Backbone interact. energy: 5.671 local terms energy: -441.460050 where: bonds (distance) C4'-P energy: -63.947 bonds (distance) P-C4' energy: -89.849 flat angles C4'-P-C4' energy: -103.233 flat angles P-C4'-P energy: -66.612 tors. eta vs tors. theta energy: -117.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1443.562848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.562848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.562848 (E_RNA) where: Base-Base interactions energy: -1016.917 where: short stacking energy: -399.047 Base-Backbone interact. energy: 3.117 local terms energy: -429.762980 where: bonds (distance) C4'-P energy: -85.749 bonds (distance) P-C4' energy: -95.393 flat angles C4'-P-C4' energy: -92.784 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -103.252 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: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1420.834119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.834119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.834119 (E_RNA) where: Base-Base interactions energy: -977.046 where: short stacking energy: -431.101 Base-Backbone interact. energy: -1.556 local terms energy: -442.232422 where: bonds (distance) C4'-P energy: -86.628 bonds (distance) P-C4' energy: -74.092 flat angles C4'-P-C4' energy: -92.858 flat angles P-C4'-P energy: -65.941 tors. eta vs tors. theta energy: -122.714 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: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1354.062426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.062426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.062426 (E_RNA) where: Base-Base interactions energy: -933.523 where: short stacking energy: -405.760 Base-Backbone interact. energy: -1.627 local terms energy: -418.911972 where: bonds (distance) C4'-P energy: -72.770 bonds (distance) P-C4' energy: -76.879 flat angles C4'-P-C4' energy: -91.081 flat angles P-C4'-P energy: -61.218 tors. eta vs tors. theta energy: -116.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1303.852237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.852237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.852237 (E_RNA) where: Base-Base interactions energy: -894.002 where: short stacking energy: -377.576 Base-Backbone interact. energy: -1.645 local terms energy: -408.205794 where: bonds (distance) C4'-P energy: -73.533 bonds (distance) P-C4' energy: -82.416 flat angles C4'-P-C4' energy: -92.145 flat angles P-C4'-P energy: -62.734 tors. eta vs tors. theta energy: -97.379 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: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1197.555279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.555279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.555279 (E_RNA) where: Base-Base interactions energy: -839.282 where: short stacking energy: -355.434 Base-Backbone interact. energy: -0.959 local terms energy: -357.313700 where: bonds (distance) C4'-P energy: -68.425 bonds (distance) P-C4' energy: -72.624 flat angles C4'-P-C4' energy: -78.803 flat angles P-C4'-P energy: -48.484 tors. eta vs tors. theta energy: -88.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1084.018914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.018914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.018914 (E_RNA) where: Base-Base interactions energy: -712.149 where: short stacking energy: -332.477 Base-Backbone interact. energy: -0.679 local terms energy: -371.190298 where: bonds (distance) C4'-P energy: -63.641 bonds (distance) P-C4' energy: -77.661 flat angles C4'-P-C4' energy: -82.309 flat angles P-C4'-P energy: -56.966 tors. eta vs tors. theta energy: -90.614 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: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -891.653566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.653566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.653566 (E_RNA) where: Base-Base interactions energy: -573.924 where: short stacking energy: -279.892 Base-Backbone interact. energy: 0.347 local terms energy: -318.076110 where: bonds (distance) C4'-P energy: -61.632 bonds (distance) P-C4' energy: -72.324 flat angles C4'-P-C4' energy: -80.601 flat angles P-C4'-P energy: -36.254 tors. eta vs tors. theta energy: -67.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -756.050960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.050960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.050960 (E_RNA) where: Base-Base interactions energy: -472.238 where: short stacking energy: -200.007 Base-Backbone interact. energy: -4.369 local terms energy: -279.444141 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -70.882 flat angles C4'-P-C4' energy: -62.436 flat angles P-C4'-P energy: -41.887 tors. eta vs tors. theta energy: -27.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -619.369034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.369034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.369034 (E_RNA) where: Base-Base interactions energy: -351.622 where: short stacking energy: -193.863 Base-Backbone interact. energy: 1.320 local terms energy: -269.067456 where: bonds (distance) C4'-P energy: -74.837 bonds (distance) P-C4' energy: -71.473 flat angles C4'-P-C4' energy: -68.813 flat angles P-C4'-P energy: -44.351 tors. eta vs tors. theta energy: -9.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1533.238879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.238879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.238879 (E_RNA) where: Base-Base interactions energy: -1079.934 where: short stacking energy: -420.299 Base-Backbone interact. energy: -2.075 local terms energy: -451.228925 where: bonds (distance) C4'-P energy: -86.399 bonds (distance) P-C4' energy: -84.880 flat angles C4'-P-C4' energy: -94.586 flat angles P-C4'-P energy: -63.465 tors. eta vs tors. theta energy: -121.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1448.433168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.433168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.433168 (E_RNA) where: Base-Base interactions energy: -1015.703 where: short stacking energy: -414.503 Base-Backbone interact. energy: -3.098 local terms energy: -429.632500 where: bonds (distance) C4'-P energy: -84.120 bonds (distance) P-C4' energy: -92.182 flat angles C4'-P-C4' energy: -95.148 flat angles P-C4'-P energy: -50.578 tors. eta vs tors. theta energy: -107.604 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1408.567655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.567655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.567655 (E_RNA) where: Base-Base interactions energy: -976.668 where: short stacking energy: -429.225 Base-Backbone interact. energy: -1.477 local terms energy: -430.423201 where: bonds (distance) C4'-P energy: -73.206 bonds (distance) P-C4' energy: -82.961 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -60.806 tors. eta vs tors. theta energy: -119.241 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: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1371.512694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.512694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.512694 (E_RNA) where: Base-Base interactions energy: -940.224 where: short stacking energy: -413.781 Base-Backbone interact. energy: -0.752 local terms energy: -430.753242 where: bonds (distance) C4'-P energy: -84.928 bonds (distance) P-C4' energy: -73.727 flat angles C4'-P-C4' energy: -91.219 flat angles P-C4'-P energy: -60.537 tors. eta vs tors. theta energy: -120.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.217 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1282.201648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.201648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.201648 (E_RNA) where: Base-Base interactions energy: -881.276 where: short stacking energy: -376.316 Base-Backbone interact. energy: -0.270 local terms energy: -401.307670 where: bonds (distance) C4'-P energy: -79.635 bonds (distance) P-C4' energy: -76.952 flat angles C4'-P-C4' energy: -86.396 flat angles P-C4'-P energy: -56.837 tors. eta vs tors. theta energy: -101.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.652 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1186.171861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.171861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.171861 (E_RNA) where: Base-Base interactions energy: -835.824 where: short stacking energy: -351.729 Base-Backbone interact. energy: -1.368 local terms energy: -348.980317 where: bonds (distance) C4'-P energy: -62.671 bonds (distance) P-C4' energy: -66.712 flat angles C4'-P-C4' energy: -89.885 flat angles P-C4'-P energy: -46.980 tors. eta vs tors. theta energy: -82.732 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: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1075.790135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.790135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.790135 (E_RNA) where: Base-Base interactions energy: -711.994 where: short stacking energy: -314.065 Base-Backbone interact. energy: -0.829 local terms energy: -362.967139 where: bonds (distance) C4'-P energy: -62.526 bonds (distance) P-C4' energy: -83.532 flat angles C4'-P-C4' energy: -86.637 flat angles P-C4'-P energy: -46.996 tors. eta vs tors. theta energy: -83.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -884.306490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.306490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.306490 (E_RNA) where: Base-Base interactions energy: -572.240 where: short stacking energy: -265.704 Base-Backbone interact. energy: -1.209 local terms energy: -310.857517 where: bonds (distance) C4'-P energy: -68.097 bonds (distance) P-C4' energy: -61.828 flat angles C4'-P-C4' energy: -70.578 flat angles P-C4'-P energy: -37.880 tors. eta vs tors. theta energy: -72.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -764.343447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.343447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.343447 (E_RNA) where: Base-Base interactions energy: -507.562 where: short stacking energy: -203.467 Base-Backbone interact. energy: 1.878 local terms energy: -258.659587 where: bonds (distance) C4'-P energy: -68.588 bonds (distance) P-C4' energy: -68.343 flat angles C4'-P-C4' energy: -59.070 flat angles P-C4'-P energy: -39.965 tors. eta vs tors. theta energy: -22.693 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: 10, replica: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -596.145948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.145948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.145948 (E_RNA) where: Base-Base interactions energy: -351.939 where: short stacking energy: -155.948 Base-Backbone interact. energy: 2.906 local terms energy: -247.112534 where: bonds (distance) C4'-P energy: -69.671 bonds (distance) P-C4' energy: -77.165 flat angles C4'-P-C4' energy: -64.030 flat angles P-C4'-P energy: -24.857 tors. eta vs tors. theta energy: -11.390 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: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1504.950610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.950610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.950610 (E_RNA) where: Base-Base interactions energy: -1064.267 where: short stacking energy: -417.842 Base-Backbone interact. energy: -1.134 local terms energy: -442.587844 where: bonds (distance) C4'-P energy: -84.097 bonds (distance) P-C4' energy: -84.430 flat angles C4'-P-C4' energy: -91.824 flat angles P-C4'-P energy: -60.822 tors. eta vs tors. theta energy: -121.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.038 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1468.903348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.903348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.903348 (E_RNA) where: Base-Base interactions energy: -1048.033 where: short stacking energy: -428.577 Base-Backbone interact. energy: 0.851 local terms energy: -421.720593 where: bonds (distance) C4'-P energy: -75.816 bonds (distance) P-C4' energy: -80.207 flat angles C4'-P-C4' energy: -90.217 flat angles P-C4'-P energy: -65.039 tors. eta vs tors. theta energy: -110.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1388.191351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.191351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.191351 (E_RNA) where: Base-Base interactions energy: -947.728 where: short stacking energy: -416.739 Base-Backbone interact. energy: -0.810 local terms energy: -439.652617 where: bonds (distance) C4'-P energy: -90.300 bonds (distance) P-C4' energy: -87.011 flat angles C4'-P-C4' energy: -89.137 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -114.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1346.941525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.941525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.941525 (E_RNA) where: Base-Base interactions energy: -944.147 where: short stacking energy: -427.923 Base-Backbone interact. energy: 1.833 local terms energy: -404.627723 where: bonds (distance) C4'-P energy: -62.609 bonds (distance) P-C4' energy: -71.794 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -71.463 tors. eta vs tors. theta energy: -112.230 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: 348 Temperature: 1.100000 Total energy: -1296.883962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.883962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.883962 (E_RNA) where: Base-Base interactions energy: -886.085 where: short stacking energy: -382.610 Base-Backbone interact. energy: -0.920 local terms energy: -409.878831 where: bonds (distance) C4'-P energy: -73.165 bonds (distance) P-C4' energy: -77.439 flat angles C4'-P-C4' energy: -88.410 flat angles P-C4'-P energy: -65.132 tors. eta vs tors. theta energy: -105.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1212.104864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.104864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.104864 (E_RNA) where: Base-Base interactions energy: -837.294 where: short stacking energy: -355.914 Base-Backbone interact. energy: 1.780 local terms energy: -376.591016 where: bonds (distance) C4'-P energy: -66.728 bonds (distance) P-C4' energy: -83.522 flat angles C4'-P-C4' energy: -80.863 flat angles P-C4'-P energy: -57.456 tors. eta vs tors. theta energy: -88.021 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: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -999.921891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.921891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.921891 (E_RNA) where: Base-Base interactions energy: -654.151 where: short stacking energy: -290.819 Base-Backbone interact. energy: -0.455 local terms energy: -345.315480 where: bonds (distance) C4'-P energy: -79.713 bonds (distance) P-C4' energy: -63.526 flat angles C4'-P-C4' energy: -83.631 flat angles P-C4'-P energy: -52.105 tors. eta vs tors. theta energy: -66.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -890.122809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.122809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.122809 (E_RNA) where: Base-Base interactions energy: -583.936 where: short stacking energy: -280.311 Base-Backbone interact. energy: 5.159 local terms energy: -311.345794 where: bonds (distance) C4'-P energy: -60.113 bonds (distance) P-C4' energy: -68.300 flat angles C4'-P-C4' energy: -76.063 flat angles P-C4'-P energy: -41.472 tors. eta vs tors. theta energy: -65.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -732.298582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.298582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.298582 (E_RNA) where: Base-Base interactions energy: -457.253 where: short stacking energy: -202.987 Base-Backbone interact. energy: 0.118 local terms energy: -275.163400 where: bonds (distance) C4'-P energy: -58.681 bonds (distance) P-C4' energy: -78.665 flat angles C4'-P-C4' energy: -72.465 flat angles P-C4'-P energy: -43.122 tors. eta vs tors. theta energy: -22.230 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: 10, replica: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -629.348759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.348759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.348759 (E_RNA) where: Base-Base interactions energy: -372.412 where: short stacking energy: -168.095 Base-Backbone interact. energy: -2.815 local terms energy: -254.122375 where: bonds (distance) C4'-P energy: -71.842 bonds (distance) P-C4' energy: -65.767 flat angles C4'-P-C4' energy: -65.799 flat angles P-C4'-P energy: -27.010 tors. eta vs tors. theta energy: -23.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1533.702260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.702260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.702260 (E_RNA) where: Base-Base interactions energy: -1097.096 where: short stacking energy: -432.952 Base-Backbone interact. energy: -1.509 local terms energy: -435.097817 where: bonds (distance) C4'-P energy: -81.485 bonds (distance) P-C4' energy: -86.030 flat angles C4'-P-C4' energy: -81.996 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -116.937 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: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1459.962857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.962857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.962857 (E_RNA) where: Base-Base interactions energy: -1040.578 where: short stacking energy: -426.180 Base-Backbone interact. energy: 1.348 local terms energy: -420.732930 where: bonds (distance) C4'-P energy: -87.131 bonds (distance) P-C4' energy: -79.658 flat angles C4'-P-C4' energy: -90.978 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -108.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1406.322717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.322717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.322717 (E_RNA) where: Base-Base interactions energy: -961.449 where: short stacking energy: -404.414 Base-Backbone interact. energy: -4.573 local terms energy: -440.300706 where: bonds (distance) C4'-P energy: -79.606 bonds (distance) P-C4' energy: -88.849 flat angles C4'-P-C4' energy: -88.863 flat angles P-C4'-P energy: -66.778 tors. eta vs tors. theta energy: -116.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1346.568301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.568301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.568301 (E_RNA) where: Base-Base interactions energy: -931.364 where: short stacking energy: -408.632 Base-Backbone interact. energy: -1.822 local terms energy: -413.381630 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -77.628 flat angles C4'-P-C4' energy: -85.507 flat angles P-C4'-P energy: -62.537 tors. eta vs tors. theta energy: -115.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1335.657162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.657162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.657162 (E_RNA) where: Base-Base interactions energy: -920.350 where: short stacking energy: -392.599 Base-Backbone interact. energy: -1.521 local terms energy: -413.785520 where: bonds (distance) C4'-P energy: -60.922 bonds (distance) P-C4' energy: -85.058 flat angles C4'-P-C4' energy: -93.897 flat angles P-C4'-P energy: -58.533 tors. eta vs tors. theta energy: -115.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1156.141964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.141964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.141964 (E_RNA) where: Base-Base interactions energy: -768.042 where: short stacking energy: -326.962 Base-Backbone interact. energy: -0.778 local terms energy: -387.322072 where: bonds (distance) C4'-P energy: -87.440 bonds (distance) P-C4' energy: -78.288 flat angles C4'-P-C4' energy: -84.995 flat angles P-C4'-P energy: -45.712 tors. eta vs tors. theta energy: -90.886 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: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1003.107347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.107347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.107347 (E_RNA) where: Base-Base interactions energy: -658.207 where: short stacking energy: -299.324 Base-Backbone interact. energy: -1.267 local terms energy: -343.634164 where: bonds (distance) C4'-P energy: -69.148 bonds (distance) P-C4' energy: -71.011 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -64.154 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: 349 Temperature: 1.250000 Total energy: -868.418031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.418031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.418031 (E_RNA) where: Base-Base interactions energy: -586.242 where: short stacking energy: -247.852 Base-Backbone interact. energy: 6.777 local terms energy: -288.952286 where: bonds (distance) C4'-P energy: -69.716 bonds (distance) P-C4' energy: -71.323 flat angles C4'-P-C4' energy: -68.594 flat angles P-C4'-P energy: -41.796 tors. eta vs tors. theta energy: -37.524 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: 349 Temperature: 1.300000 Total energy: -816.883755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.883755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.883755 (E_RNA) where: Base-Base interactions energy: -529.009 where: short stacking energy: -237.343 Base-Backbone interact. energy: -1.203 local terms energy: -286.671292 where: bonds (distance) C4'-P energy: -73.014 bonds (distance) P-C4' energy: -67.030 flat angles C4'-P-C4' energy: -57.650 flat angles P-C4'-P energy: -48.986 tors. eta vs tors. theta energy: -39.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -634.841478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.841478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.841478 (E_RNA) where: Base-Base interactions energy: -369.619 where: short stacking energy: -169.635 Base-Backbone interact. energy: 1.397 local terms energy: -266.620167 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -76.177 flat angles C4'-P-C4' energy: -58.346 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -10.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1524.428635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.428635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.428635 (E_RNA) where: Base-Base interactions energy: -1087.564 where: short stacking energy: -436.145 Base-Backbone interact. energy: 1.166 local terms energy: -439.566336 where: bonds (distance) C4'-P energy: -81.015 bonds (distance) P-C4' energy: -79.728 flat angles C4'-P-C4' energy: -98.988 flat angles P-C4'-P energy: -59.632 tors. eta vs tors. theta energy: -120.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.536 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1470.593347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.593347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.593347 (E_RNA) where: Base-Base interactions energy: -1044.685 where: short stacking energy: -400.665 Base-Backbone interact. energy: -0.931 local terms energy: -424.977266 where: bonds (distance) C4'-P energy: -79.757 bonds (distance) P-C4' energy: -95.942 flat angles C4'-P-C4' energy: -84.362 flat angles P-C4'-P energy: -57.382 tors. eta vs tors. theta energy: -107.535 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: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1414.460291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.460291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.460291 (E_RNA) where: Base-Base interactions energy: -980.519 where: short stacking energy: -439.847 Base-Backbone interact. energy: -1.702 local terms energy: -432.239882 where: bonds (distance) C4'-P energy: -74.527 bonds (distance) P-C4' energy: -88.862 flat angles C4'-P-C4' energy: -91.053 flat angles P-C4'-P energy: -57.963 tors. eta vs tors. theta energy: -119.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1343.595553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.595553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.595553 (E_RNA) where: Base-Base interactions energy: -926.053 where: short stacking energy: -410.595 Base-Backbone interact. energy: -0.784 local terms energy: -416.758736 where: bonds (distance) C4'-P energy: -72.214 bonds (distance) P-C4' energy: -84.633 flat angles C4'-P-C4' energy: -87.001 flat angles P-C4'-P energy: -53.842 tors. eta vs tors. theta energy: -119.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1305.279902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.279902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.279902 (E_RNA) where: Base-Base interactions energy: -902.669 where: short stacking energy: -375.568 Base-Backbone interact. energy: 1.188 local terms energy: -403.798491 where: bonds (distance) C4'-P energy: -84.147 bonds (distance) P-C4' energy: -78.699 flat angles C4'-P-C4' energy: -86.082 flat angles P-C4'-P energy: -48.795 tors. eta vs tors. theta energy: -106.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1193.023091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.023091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.023091 (E_RNA) where: Base-Base interactions energy: -783.298 where: short stacking energy: -350.934 Base-Backbone interact. energy: -1.951 local terms energy: -407.774835 where: bonds (distance) C4'-P energy: -78.230 bonds (distance) P-C4' energy: -84.643 flat angles C4'-P-C4' energy: -85.504 flat angles P-C4'-P energy: -62.936 tors. eta vs tors. theta energy: -96.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1012.739504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.739504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.739504 (E_RNA) where: Base-Base interactions energy: -656.114 where: short stacking energy: -321.536 Base-Backbone interact. energy: -1.309 local terms energy: -355.316614 where: bonds (distance) C4'-P energy: -56.643 bonds (distance) P-C4' energy: -79.571 flat angles C4'-P-C4' energy: -84.655 flat angles P-C4'-P energy: -56.273 tors. eta vs tors. theta energy: -78.175 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: 350 Temperature: 1.250000 Total energy: -861.434821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.434821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.434821 (E_RNA) where: Base-Base interactions energy: -568.511 where: short stacking energy: -237.837 Base-Backbone interact. energy: -1.506 local terms energy: -291.417078 where: bonds (distance) C4'-P energy: -55.328 bonds (distance) P-C4' energy: -73.640 flat angles C4'-P-C4' energy: -76.239 flat angles P-C4'-P energy: -54.466 tors. eta vs tors. theta energy: -31.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -751.759543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.759543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.759543 (E_RNA) where: Base-Base interactions energy: -479.463 where: short stacking energy: -210.516 Base-Backbone interact. energy: 1.796 local terms energy: -274.093274 where: bonds (distance) C4'-P energy: -64.988 bonds (distance) P-C4' energy: -67.555 flat angles C4'-P-C4' energy: -62.144 flat angles P-C4'-P energy: -48.941 tors. eta vs tors. theta energy: -30.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -584.059987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.059987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.059987 (E_RNA) where: Base-Base interactions energy: -337.957 where: short stacking energy: -155.846 Base-Backbone interact. energy: -1.899 local terms energy: -244.204425 where: bonds (distance) C4'-P energy: -62.361 bonds (distance) P-C4' energy: -79.551 flat angles C4'-P-C4' energy: -56.229 flat angles P-C4'-P energy: -48.170 tors. eta vs tors. theta energy: 2.107 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: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1544.460672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.460672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.460672 (E_RNA) where: Base-Base interactions energy: -1117.594 where: short stacking energy: -446.279 Base-Backbone interact. energy: -1.487 local terms energy: -425.379547 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -77.353 flat angles C4'-P-C4' energy: -92.449 flat angles P-C4'-P energy: -46.361 tors. eta vs tors. theta energy: -123.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1482.416787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.416787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.416787 (E_RNA) where: Base-Base interactions energy: -1056.072 where: short stacking energy: -415.597 Base-Backbone interact. energy: 1.062 local terms energy: -427.406695 where: bonds (distance) C4'-P energy: -83.025 bonds (distance) P-C4' energy: -85.708 flat angles C4'-P-C4' energy: -84.397 flat angles P-C4'-P energy: -65.557 tors. eta vs tors. theta energy: -108.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1410.712733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.712733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.712733 (E_RNA) where: Base-Base interactions energy: -989.418 where: short stacking energy: -414.105 Base-Backbone interact. energy: -1.120 local terms energy: -420.174868 where: bonds (distance) C4'-P energy: -78.632 bonds (distance) P-C4' energy: -70.585 flat angles C4'-P-C4' energy: -93.761 flat angles P-C4'-P energy: -68.082 tors. eta vs tors. theta energy: -109.115 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: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1339.527438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.527438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.527438 (E_RNA) where: Base-Base interactions energy: -908.329 where: short stacking energy: -392.147 Base-Backbone interact. energy: -2.959 local terms energy: -428.239305 where: bonds (distance) C4'-P energy: -85.515 bonds (distance) P-C4' energy: -70.266 flat angles C4'-P-C4' energy: -84.060 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: -118.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1259.110169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.110169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.110169 (E_RNA) where: Base-Base interactions energy: -881.681 where: short stacking energy: -369.151 Base-Backbone interact. energy: -1.190 local terms energy: -376.238952 where: bonds (distance) C4'-P energy: -63.677 bonds (distance) P-C4' energy: -75.963 flat angles C4'-P-C4' energy: -84.869 flat angles P-C4'-P energy: -56.634 tors. eta vs tors. theta energy: -95.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1208.618815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.618815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.618815 (E_RNA) where: Base-Base interactions energy: -834.478 where: short stacking energy: -351.901 Base-Backbone interact. energy: 0.227 local terms energy: -374.367592 where: bonds (distance) C4'-P energy: -57.213 bonds (distance) P-C4' energy: -92.898 flat angles C4'-P-C4' energy: -75.551 flat angles P-C4'-P energy: -59.038 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1015.239122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.239122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.239122 (E_RNA) where: Base-Base interactions energy: -641.278 where: short stacking energy: -291.746 Base-Backbone interact. energy: -0.610 local terms energy: -373.545432 where: bonds (distance) C4'-P energy: -69.149 bonds (distance) P-C4' energy: -94.972 flat angles C4'-P-C4' energy: -88.469 flat angles P-C4'-P energy: -48.820 tors. eta vs tors. theta energy: -72.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.194 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -847.657444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.657444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.657444 (E_RNA) where: Base-Base interactions energy: -523.249 where: short stacking energy: -241.369 Base-Backbone interact. energy: -0.089 local terms energy: -324.320096 where: bonds (distance) C4'-P energy: -64.829 bonds (distance) P-C4' energy: -85.357 flat angles C4'-P-C4' energy: -78.727 flat angles P-C4'-P energy: -44.292 tors. eta vs tors. theta energy: -51.116 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: 351 Temperature: 1.300000 Total energy: -789.580336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.580336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.580336 (E_RNA) where: Base-Base interactions energy: -497.946 where: short stacking energy: -235.222 Base-Backbone interact. energy: -1.163 local terms energy: -290.471233 where: bonds (distance) C4'-P energy: -70.133 bonds (distance) P-C4' energy: -55.313 flat angles C4'-P-C4' energy: -65.608 flat angles P-C4'-P energy: -46.229 tors. eta vs tors. theta energy: -53.189 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: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -578.396185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.396185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.396185 (E_RNA) where: Base-Base interactions energy: -330.767 where: short stacking energy: -158.173 Base-Backbone interact. energy: 0.339 local terms energy: -247.967997 where: bonds (distance) C4'-P energy: -63.427 bonds (distance) P-C4' energy: -68.422 flat angles C4'-P-C4' energy: -68.812 flat angles P-C4'-P energy: -39.774 tors. eta vs tors. theta energy: -7.533 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: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1562.354503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.354503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.354503 (E_RNA) where: Base-Base interactions energy: -1123.043 where: short stacking energy: -429.672 Base-Backbone interact. energy: -2.143 local terms energy: -437.168841 where: bonds (distance) C4'-P energy: -80.768 bonds (distance) P-C4' energy: -87.548 flat angles C4'-P-C4' energy: -91.890 flat angles P-C4'-P energy: -54.081 tors. eta vs tors. theta energy: -122.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1460.462565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.462565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.462565 (E_RNA) where: Base-Base interactions energy: -1047.860 where: short stacking energy: -415.808 Base-Backbone interact. energy: -2.554 local terms energy: -410.048448 where: bonds (distance) C4'-P energy: -75.918 bonds (distance) P-C4' energy: -84.407 flat angles C4'-P-C4' energy: -88.621 flat angles P-C4'-P energy: -51.038 tors. eta vs tors. theta energy: -110.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1399.756953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.756953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.756953 (E_RNA) where: Base-Base interactions energy: -982.136 where: short stacking energy: -393.717 Base-Backbone interact. energy: -1.164 local terms energy: -416.456874 where: bonds (distance) C4'-P energy: -82.752 bonds (distance) P-C4' energy: -75.872 flat angles C4'-P-C4' energy: -96.549 flat angles P-C4'-P energy: -56.260 tors. eta vs tors. theta energy: -105.024 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: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1325.534666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.534666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.534666 (E_RNA) where: Base-Base interactions energy: -891.970 where: short stacking energy: -404.953 Base-Backbone interact. energy: -3.150 local terms energy: -430.413971 where: bonds (distance) C4'-P energy: -78.047 bonds (distance) P-C4' energy: -80.082 flat angles C4'-P-C4' energy: -97.947 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -114.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1245.130520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.130520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.130520 (E_RNA) where: Base-Base interactions energy: -839.873 where: short stacking energy: -370.084 Base-Backbone interact. energy: -1.808 local terms energy: -403.449986 where: bonds (distance) C4'-P energy: -79.917 bonds (distance) P-C4' energy: -79.369 flat angles C4'-P-C4' energy: -89.162 flat angles P-C4'-P energy: -62.380 tors. eta vs tors. theta energy: -92.622 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: 352 Temperature: 1.150000 Total energy: -1249.590679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.590679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.590679 (E_RNA) where: Base-Base interactions energy: -835.963 where: short stacking energy: -368.749 Base-Backbone interact. energy: 0.632 local terms energy: -414.259268 where: bonds (distance) C4'-P energy: -84.255 bonds (distance) P-C4' energy: -81.532 flat angles C4'-P-C4' energy: -92.929 flat angles P-C4'-P energy: -56.001 tors. eta vs tors. theta energy: -99.544 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: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1044.273789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.273789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.273789 (E_RNA) where: Base-Base interactions energy: -691.019 where: short stacking energy: -326.526 Base-Backbone interact. energy: -1.940 local terms energy: -351.315247 where: bonds (distance) C4'-P energy: -78.656 bonds (distance) P-C4' energy: -68.544 flat angles C4'-P-C4' energy: -74.546 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -85.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -831.467846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.467846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.467846 (E_RNA) where: Base-Base interactions energy: -528.263 where: short stacking energy: -231.657 Base-Backbone interact. energy: -0.389 local terms energy: -302.815872 where: bonds (distance) C4'-P energy: -70.206 bonds (distance) P-C4' energy: -73.162 flat angles C4'-P-C4' energy: -68.968 flat angles P-C4'-P energy: -51.074 tors. eta vs tors. theta energy: -39.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -810.654187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.654187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.654187 (E_RNA) where: Base-Base interactions energy: -523.863 where: short stacking energy: -236.142 Base-Backbone interact. energy: -2.182 local terms energy: -284.609610 where: bonds (distance) C4'-P energy: -47.015 bonds (distance) P-C4' energy: -74.749 flat angles C4'-P-C4' energy: -76.259 flat angles P-C4'-P energy: -44.698 tors. eta vs tors. theta energy: -41.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -589.425850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.425850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.425850 (E_RNA) where: Base-Base interactions energy: -344.593 where: short stacking energy: -148.196 Base-Backbone interact. energy: 0.208 local terms energy: -245.040893 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -75.206 flat angles C4'-P-C4' energy: -57.332 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -9.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1541.022450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.022450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.022450 (E_RNA) where: Base-Base interactions energy: -1107.666 where: short stacking energy: -421.396 Base-Backbone interact. energy: -2.016 local terms energy: -431.340277 where: bonds (distance) C4'-P energy: -75.624 bonds (distance) P-C4' energy: -87.591 flat angles C4'-P-C4' energy: -102.239 flat angles P-C4'-P energy: -54.456 tors. eta vs tors. theta energy: -111.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1500.617860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.617860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.617860 (E_RNA) where: Base-Base interactions energy: -1072.569 where: short stacking energy: -429.091 Base-Backbone interact. energy: -1.825 local terms energy: -426.223718 where: bonds (distance) C4'-P energy: -85.119 bonds (distance) P-C4' energy: -81.295 flat angles C4'-P-C4' energy: -85.665 flat angles P-C4'-P energy: -63.674 tors. eta vs tors. theta energy: -110.470 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: 3, replica: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1404.678546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.678546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.678546 (E_RNA) where: Base-Base interactions energy: -977.489 where: short stacking energy: -406.770 Base-Backbone interact. energy: -0.726 local terms energy: -426.463111 where: bonds (distance) C4'-P energy: -75.283 bonds (distance) P-C4' energy: -83.768 flat angles C4'-P-C4' energy: -95.496 flat angles P-C4'-P energy: -54.625 tors. eta vs tors. theta energy: -117.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1326.134346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.134346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.134346 (E_RNA) where: Base-Base interactions energy: -893.931 where: short stacking energy: -376.453 Base-Backbone interact. energy: -2.249 local terms energy: -429.954076 where: bonds (distance) C4'-P energy: -88.019 bonds (distance) P-C4' energy: -90.177 flat angles C4'-P-C4' energy: -82.390 flat angles P-C4'-P energy: -65.036 tors. eta vs tors. theta energy: -104.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1254.972917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.972917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.972917 (E_RNA) where: Base-Base interactions energy: -876.332 where: short stacking energy: -374.867 Base-Backbone interact. energy: -0.118 local terms energy: -378.522573 where: bonds (distance) C4'-P energy: -64.384 bonds (distance) P-C4' energy: -85.218 flat angles C4'-P-C4' energy: -88.789 flat angles P-C4'-P energy: -48.238 tors. eta vs tors. theta energy: -91.892 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: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1258.132426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.132426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.132426 (E_RNA) where: Base-Base interactions energy: -862.174 where: short stacking energy: -362.154 Base-Backbone interact. energy: -0.642 local terms energy: -395.315936 where: bonds (distance) C4'-P energy: -66.698 bonds (distance) P-C4' energy: -75.038 flat angles C4'-P-C4' energy: -91.452 flat angles P-C4'-P energy: -58.534 tors. eta vs tors. theta energy: -103.595 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: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1125.847298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.847298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.847298 (E_RNA) where: Base-Base interactions energy: -743.887 where: short stacking energy: -337.092 Base-Backbone interact. energy: -1.318 local terms energy: -380.641839 where: bonds (distance) C4'-P energy: -73.775 bonds (distance) P-C4' energy: -81.343 flat angles C4'-P-C4' energy: -90.157 flat angles P-C4'-P energy: -50.344 tors. eta vs tors. theta energy: -85.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -814.748935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.748935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.748935 (E_RNA) where: Base-Base interactions energy: -529.230 where: short stacking energy: -272.850 Base-Backbone interact. energy: 4.301 local terms energy: -289.819597 where: bonds (distance) C4'-P energy: -67.387 bonds (distance) P-C4' energy: -72.727 flat angles C4'-P-C4' energy: -59.783 flat angles P-C4'-P energy: -41.622 tors. eta vs tors. theta energy: -48.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -877.388178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.388178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.388178 (E_RNA) where: Base-Base interactions energy: -578.501 where: short stacking energy: -268.418 Base-Backbone interact. energy: -1.882 local terms energy: -297.004612 where: bonds (distance) C4'-P energy: -66.867 bonds (distance) P-C4' energy: -77.761 flat angles C4'-P-C4' energy: -63.798 flat angles P-C4'-P energy: -38.926 tors. eta vs tors. theta energy: -49.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -603.440502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.440502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.440502 (E_RNA) where: Base-Base interactions energy: -331.084 where: short stacking energy: -163.706 Base-Backbone interact. energy: 4.062 local terms energy: -276.418507 where: bonds (distance) C4'-P energy: -63.642 bonds (distance) P-C4' energy: -76.220 flat angles C4'-P-C4' energy: -61.779 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: -22.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1558.454988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.454988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.454988 (E_RNA) where: Base-Base interactions energy: -1101.701 where: short stacking energy: -435.370 Base-Backbone interact. energy: -4.242 local terms energy: -452.512615 where: bonds (distance) C4'-P energy: -83.643 bonds (distance) P-C4' energy: -92.815 flat angles C4'-P-C4' energy: -96.605 flat angles P-C4'-P energy: -64.033 tors. eta vs tors. theta energy: -115.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1514.569042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.569042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.569042 (E_RNA) where: Base-Base interactions energy: -1081.234 where: short stacking energy: -437.471 Base-Backbone interact. energy: -0.122 local terms energy: -433.212890 where: bonds (distance) C4'-P energy: -80.945 bonds (distance) P-C4' energy: -74.946 flat angles C4'-P-C4' energy: -87.809 flat angles P-C4'-P energy: -71.454 tors. eta vs tors. theta energy: -118.059 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: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1409.560861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.560861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.560861 (E_RNA) where: Base-Base interactions energy: -975.846 where: short stacking energy: -418.543 Base-Backbone interact. energy: -1.714 local terms energy: -432.001595 where: bonds (distance) C4'-P energy: -81.436 bonds (distance) P-C4' energy: -82.642 flat angles C4'-P-C4' energy: -88.921 flat angles P-C4'-P energy: -68.647 tors. eta vs tors. theta energy: -110.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1356.180194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.180194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.180194 (E_RNA) where: Base-Base interactions energy: -942.423 where: short stacking energy: -421.692 Base-Backbone interact. energy: -4.326 local terms energy: -409.431063 where: bonds (distance) C4'-P energy: -78.798 bonds (distance) P-C4' energy: -62.001 flat angles C4'-P-C4' energy: -86.721 flat angles P-C4'-P energy: -60.122 tors. eta vs tors. theta energy: -121.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1237.327612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.327612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.327612 (E_RNA) where: Base-Base interactions energy: -845.994 where: short stacking energy: -361.543 Base-Backbone interact. energy: -0.395 local terms energy: -390.938915 where: bonds (distance) C4'-P energy: -70.211 bonds (distance) P-C4' energy: -83.331 flat angles C4'-P-C4' energy: -88.141 flat angles P-C4'-P energy: -60.077 tors. eta vs tors. theta energy: -89.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1275.658889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.658889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.658889 (E_RNA) where: Base-Base interactions energy: -870.727 where: short stacking energy: -383.187 Base-Backbone interact. energy: 0.709 local terms energy: -405.640212 where: bonds (distance) C4'-P energy: -75.863 bonds (distance) P-C4' energy: -85.193 flat angles C4'-P-C4' energy: -81.249 flat angles P-C4'-P energy: -64.913 tors. eta vs tors. theta energy: -98.423 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: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1110.987971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.987971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.987971 (E_RNA) where: Base-Base interactions energy: -743.292 where: short stacking energy: -354.914 Base-Backbone interact. energy: -0.609 local terms energy: -367.087394 where: bonds (distance) C4'-P energy: -74.496 bonds (distance) P-C4' energy: -63.781 flat angles C4'-P-C4' energy: -84.685 flat angles P-C4'-P energy: -47.159 tors. eta vs tors. theta energy: -96.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -772.929824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.929824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.929824 (E_RNA) where: Base-Base interactions energy: -469.798 where: short stacking energy: -224.738 Base-Backbone interact. energy: 1.141 local terms energy: -304.273412 where: bonds (distance) C4'-P energy: -76.615 bonds (distance) P-C4' energy: -66.621 flat angles C4'-P-C4' energy: -71.032 flat angles P-C4'-P energy: -39.064 tors. eta vs tors. theta energy: -50.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -893.803289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.803289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.803289 (E_RNA) where: Base-Base interactions energy: -581.540 where: short stacking energy: -272.803 Base-Backbone interact. energy: -0.156 local terms energy: -312.106947 where: bonds (distance) C4'-P energy: -76.593 bonds (distance) P-C4' energy: -65.543 flat angles C4'-P-C4' energy: -69.326 flat angles P-C4'-P energy: -34.169 tors. eta vs tors. theta energy: -66.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -536.241269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.241269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.241269 (E_RNA) where: Base-Base interactions energy: -306.615 where: short stacking energy: -142.695 Base-Backbone interact. energy: -2.882 local terms energy: -226.744505 where: bonds (distance) C4'-P energy: -68.908 bonds (distance) P-C4' energy: -58.732 flat angles C4'-P-C4' energy: -43.127 flat angles P-C4'-P energy: -40.565 tors. eta vs tors. theta energy: -15.412 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: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1524.089994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.089994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.089994 (E_RNA) where: Base-Base interactions energy: -1078.253 where: short stacking energy: -422.976 Base-Backbone interact. energy: -2.080 local terms energy: -443.756695 where: bonds (distance) C4'-P energy: -91.184 bonds (distance) P-C4' energy: -80.683 flat angles C4'-P-C4' energy: -91.851 flat angles P-C4'-P energy: -67.523 tors. eta vs tors. theta energy: -112.515 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: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1485.540079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.540079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.540079 (E_RNA) where: Base-Base interactions energy: -1051.885 where: short stacking energy: -435.210 Base-Backbone interact. energy: -0.209 local terms energy: -433.446377 where: bonds (distance) C4'-P energy: -84.568 bonds (distance) P-C4' energy: -85.943 flat angles C4'-P-C4' energy: -86.486 flat angles P-C4'-P energy: -66.406 tors. eta vs tors. theta energy: -110.043 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: 3, replica: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1396.831201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.831201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.831201 (E_RNA) where: Base-Base interactions energy: -971.352 where: short stacking energy: -402.638 Base-Backbone interact. energy: -2.070 local terms energy: -423.409039 where: bonds (distance) C4'-P energy: -69.097 bonds (distance) P-C4' energy: -86.065 flat angles C4'-P-C4' energy: -93.993 flat angles P-C4'-P energy: -62.251 tors. eta vs tors. theta energy: -112.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1357.167757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.167757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.167757 (E_RNA) where: Base-Base interactions energy: -913.164 where: short stacking energy: -390.276 Base-Backbone interact. energy: -1.792 local terms energy: -442.211726 where: bonds (distance) C4'-P energy: -91.078 bonds (distance) P-C4' energy: -91.805 flat angles C4'-P-C4' energy: -89.316 flat angles P-C4'-P energy: -55.857 tors. eta vs tors. theta energy: -114.155 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: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1228.181226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.181226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.181226 (E_RNA) where: Base-Base interactions energy: -856.223 where: short stacking energy: -355.807 Base-Backbone interact. energy: -1.245 local terms energy: -370.713781 where: bonds (distance) C4'-P energy: -67.337 bonds (distance) P-C4' energy: -73.360 flat angles C4'-P-C4' energy: -82.193 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -95.141 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: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1234.098339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.098339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.098339 (E_RNA) where: Base-Base interactions energy: -843.845 where: short stacking energy: -366.636 Base-Backbone interact. energy: -3.129 local terms energy: -387.124758 where: bonds (distance) C4'-P energy: -70.397 bonds (distance) P-C4' energy: -76.758 flat angles C4'-P-C4' energy: -83.616 flat angles P-C4'-P energy: -57.982 tors. eta vs tors. theta energy: -98.372 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: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1083.366370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.366370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.366370 (E_RNA) where: Base-Base interactions energy: -730.643 where: short stacking energy: -342.490 Base-Backbone interact. energy: -1.143 local terms energy: -351.580544 where: bonds (distance) C4'-P energy: -67.383 bonds (distance) P-C4' energy: -71.023 flat angles C4'-P-C4' energy: -71.059 flat angles P-C4'-P energy: -60.588 tors. eta vs tors. theta energy: -81.528 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: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -933.896218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.896218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.896218 (E_RNA) where: Base-Base interactions energy: -602.378 where: short stacking energy: -280.224 Base-Backbone interact. energy: -1.891 local terms energy: -329.626560 where: bonds (distance) C4'-P energy: -62.458 bonds (distance) P-C4' energy: -77.618 flat angles C4'-P-C4' energy: -76.240 flat angles P-C4'-P energy: -46.732 tors. eta vs tors. theta energy: -66.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -720.187329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.187329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.187329 (E_RNA) where: Base-Base interactions energy: -450.626 where: short stacking energy: -202.806 Base-Backbone interact. energy: -0.855 local terms energy: -268.705907 where: bonds (distance) C4'-P energy: -58.610 bonds (distance) P-C4' energy: -66.718 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -45.634 tors. eta vs tors. theta energy: -27.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -525.364825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.364825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.364825 (E_RNA) where: Base-Base interactions energy: -284.577 where: short stacking energy: -142.925 Base-Backbone interact. energy: 3.136 local terms energy: -243.923521 where: bonds (distance) C4'-P energy: -65.172 bonds (distance) P-C4' energy: -78.680 flat angles C4'-P-C4' energy: -64.150 flat angles P-C4'-P energy: -33.186 tors. eta vs tors. theta energy: -2.737 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: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1498.298419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.298419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.298419 (E_RNA) where: Base-Base interactions energy: -1060.283 where: short stacking energy: -413.353 Base-Backbone interact. energy: -1.651 local terms energy: -436.364150 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -82.732 flat angles C4'-P-C4' energy: -103.464 flat angles P-C4'-P energy: -60.812 tors. eta vs tors. theta energy: -111.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1488.691747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.691747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.691747 (E_RNA) where: Base-Base interactions energy: -1057.361 where: short stacking energy: -420.170 Base-Backbone interact. energy: -0.346 local terms energy: -430.985262 where: bonds (distance) C4'-P energy: -70.616 bonds (distance) P-C4' energy: -89.836 flat angles C4'-P-C4' energy: -88.856 flat angles P-C4'-P energy: -65.118 tors. eta vs tors. theta energy: -116.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1384.759691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.759691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.759691 (E_RNA) where: Base-Base interactions energy: -953.321 where: short stacking energy: -404.032 Base-Backbone interact. energy: -1.869 local terms energy: -429.570127 where: bonds (distance) C4'-P energy: -79.247 bonds (distance) P-C4' energy: -87.655 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -65.206 tors. eta vs tors. theta energy: -111.566 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: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1350.952506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.952506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.952506 (E_RNA) where: Base-Base interactions energy: -918.191 where: short stacking energy: -419.893 Base-Backbone interact. energy: -2.048 local terms energy: -430.713885 where: bonds (distance) C4'-P energy: -79.080 bonds (distance) P-C4' energy: -73.411 flat angles C4'-P-C4' energy: -91.788 flat angles P-C4'-P energy: -64.903 tors. eta vs tors. theta energy: -121.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1252.467821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.467821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.467821 (E_RNA) where: Base-Base interactions energy: -856.668 where: short stacking energy: -366.815 Base-Backbone interact. energy: -0.271 local terms energy: -395.528703 where: bonds (distance) C4'-P energy: -77.986 bonds (distance) P-C4' energy: -89.179 flat angles C4'-P-C4' energy: -92.924 flat angles P-C4'-P energy: -45.916 tors. eta vs tors. theta energy: -89.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1262.479030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.479030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.479030 (E_RNA) where: Base-Base interactions energy: -871.528 where: short stacking energy: -369.919 Base-Backbone interact. energy: -1.825 local terms energy: -389.204501 where: bonds (distance) C4'-P energy: -80.034 bonds (distance) P-C4' energy: -72.547 flat angles C4'-P-C4' energy: -82.187 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -99.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1070.674627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.674627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.674627 (E_RNA) where: Base-Base interactions energy: -711.828 where: short stacking energy: -309.793 Base-Backbone interact. energy: 2.740 local terms energy: -361.586702 where: bonds (distance) C4'-P energy: -75.191 bonds (distance) P-C4' energy: -72.686 flat angles C4'-P-C4' energy: -71.520 flat angles P-C4'-P energy: -60.690 tors. eta vs tors. theta energy: -81.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -961.067434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.067434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.067434 (E_RNA) where: Base-Base interactions energy: -647.956 where: short stacking energy: -279.722 Base-Backbone interact. energy: -1.030 local terms energy: -312.080904 where: bonds (distance) C4'-P energy: -41.768 bonds (distance) P-C4' energy: -89.562 flat angles C4'-P-C4' energy: -75.384 flat angles P-C4'-P energy: -35.877 tors. eta vs tors. theta energy: -69.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -747.428533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.428533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.428533 (E_RNA) where: Base-Base interactions energy: -466.420 where: short stacking energy: -218.408 Base-Backbone interact. energy: 4.040 local terms energy: -285.048976 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -69.900 flat angles C4'-P-C4' energy: -71.878 flat angles P-C4'-P energy: -36.778 tors. eta vs tors. theta energy: -42.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -537.671574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.671574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.671574 (E_RNA) where: Base-Base interactions energy: -295.271 where: short stacking energy: -153.657 Base-Backbone interact. energy: 0.078 local terms energy: -242.479233 where: bonds (distance) C4'-P energy: -64.021 bonds (distance) P-C4' energy: -61.421 flat angles C4'-P-C4' energy: -60.965 flat angles P-C4'-P energy: -42.511 tors. eta vs tors. theta energy: -13.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1508.196326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.196326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.196326 (E_RNA) where: Base-Base interactions energy: -1064.848 where: short stacking energy: -409.851 Base-Backbone interact. energy: -1.103 local terms energy: -443.190041 where: bonds (distance) C4'-P energy: -80.922 bonds (distance) P-C4' energy: -89.545 flat angles C4'-P-C4' energy: -95.341 flat angles P-C4'-P energy: -63.151 tors. eta vs tors. theta energy: -114.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.945 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1468.573772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.573772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.573772 (E_RNA) where: Base-Base interactions energy: -1035.076 where: short stacking energy: -402.538 Base-Backbone interact. energy: -1.488 local terms energy: -432.010060 where: bonds (distance) C4'-P energy: -74.865 bonds (distance) P-C4' energy: -92.690 flat angles C4'-P-C4' energy: -90.843 flat angles P-C4'-P energy: -65.004 tors. eta vs tors. theta energy: -108.608 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: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1393.572555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.572555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.572555 (E_RNA) where: Base-Base interactions energy: -966.367 where: short stacking energy: -388.198 Base-Backbone interact. energy: -2.514 local terms energy: -424.692079 where: bonds (distance) C4'-P energy: -86.775 bonds (distance) P-C4' energy: -72.229 flat angles C4'-P-C4' energy: -95.161 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: -111.266 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: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1357.755462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.755462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.755462 (E_RNA) where: Base-Base interactions energy: -913.877 where: short stacking energy: -400.350 Base-Backbone interact. energy: -2.220 local terms energy: -441.658911 where: bonds (distance) C4'-P energy: -82.166 bonds (distance) P-C4' energy: -88.596 flat angles C4'-P-C4' energy: -86.429 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -115.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1229.573481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.573481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.573481 (E_RNA) where: Base-Base interactions energy: -856.457 where: short stacking energy: -368.140 Base-Backbone interact. energy: -1.838 local terms energy: -371.277905 where: bonds (distance) C4'-P energy: -74.044 bonds (distance) P-C4' energy: -78.267 flat angles C4'-P-C4' energy: -82.232 flat angles P-C4'-P energy: -59.551 tors. eta vs tors. theta energy: -77.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1273.205398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.205398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.205398 (E_RNA) where: Base-Base interactions energy: -901.263 where: short stacking energy: -399.313 Base-Backbone interact. energy: -2.371 local terms energy: -369.571982 where: bonds (distance) C4'-P energy: -62.564 bonds (distance) P-C4' energy: -71.016 flat angles C4'-P-C4' energy: -80.317 flat angles P-C4'-P energy: -43.034 tors. eta vs tors. theta energy: -112.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1066.817595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.817595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.817595 (E_RNA) where: Base-Base interactions energy: -724.523 where: short stacking energy: -326.560 Base-Backbone interact. energy: -1.209 local terms energy: -341.086172 where: bonds (distance) C4'-P energy: -69.393 bonds (distance) P-C4' energy: -61.093 flat angles C4'-P-C4' energy: -82.964 flat angles P-C4'-P energy: -54.172 tors. eta vs tors. theta energy: -73.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -961.012826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.012826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.012826 (E_RNA) where: Base-Base interactions energy: -633.793 where: short stacking energy: -276.257 Base-Backbone interact. energy: -1.568 local terms energy: -325.651928 where: bonds (distance) C4'-P energy: -74.445 bonds (distance) P-C4' energy: -57.901 flat angles C4'-P-C4' energy: -70.874 flat angles P-C4'-P energy: -63.161 tors. eta vs tors. theta energy: -59.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -766.483038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.483038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.483038 (E_RNA) where: Base-Base interactions energy: -457.408 where: short stacking energy: -215.837 Base-Backbone interact. energy: 0.718 local terms energy: -309.793132 where: bonds (distance) C4'-P energy: -72.739 bonds (distance) P-C4' energy: -70.197 flat angles C4'-P-C4' energy: -75.746 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -40.268 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: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -516.926010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.926010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.926010 (E_RNA) where: Base-Base interactions energy: -296.444 where: short stacking energy: -159.344 Base-Backbone interact. energy: 1.545 local terms energy: -222.026520 where: bonds (distance) C4'-P energy: -60.775 bonds (distance) P-C4' energy: -69.735 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -30.158 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1533.781919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.781919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.781919 (E_RNA) where: Base-Base interactions energy: -1093.602 where: short stacking energy: -422.444 Base-Backbone interact. energy: -1.748 local terms energy: -438.431801 where: bonds (distance) C4'-P energy: -76.742 bonds (distance) P-C4' energy: -83.485 flat angles C4'-P-C4' energy: -96.905 flat angles P-C4'-P energy: -68.376 tors. eta vs tors. theta energy: -112.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1446.432045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.432045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.432045 (E_RNA) where: Base-Base interactions energy: -1028.881 where: short stacking energy: -417.907 Base-Backbone interact. energy: -1.988 local terms energy: -415.562728 where: bonds (distance) C4'-P energy: -74.525 bonds (distance) P-C4' energy: -85.072 flat angles C4'-P-C4' energy: -90.537 flat angles P-C4'-P energy: -53.022 tors. eta vs tors. theta energy: -112.407 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: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1427.805652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.805652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.805652 (E_RNA) where: Base-Base interactions energy: -985.638 where: short stacking energy: -427.518 Base-Backbone interact. energy: -1.553 local terms energy: -440.614476 where: bonds (distance) C4'-P energy: -76.448 bonds (distance) P-C4' energy: -81.553 flat angles C4'-P-C4' energy: -89.908 flat angles P-C4'-P energy: -70.317 tors. eta vs tors. theta energy: -122.390 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: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1350.035529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.035529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.035529 (E_RNA) where: Base-Base interactions energy: -918.700 where: short stacking energy: -411.023 Base-Backbone interact. energy: 0.662 local terms energy: -431.997879 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -82.595 flat angles C4'-P-C4' energy: -87.801 flat angles P-C4'-P energy: -59.529 tors. eta vs tors. theta energy: -116.076 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: 5, replica: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1292.086672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.086672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.086672 (E_RNA) where: Base-Base interactions energy: -900.171 where: short stacking energy: -376.309 Base-Backbone interact. energy: -1.595 local terms energy: -390.320833 where: bonds (distance) C4'-P energy: -76.817 bonds (distance) P-C4' energy: -69.293 flat angles C4'-P-C4' energy: -86.916 flat angles P-C4'-P energy: -50.725 tors. eta vs tors. theta energy: -106.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1196.503407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.503407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.503407 (E_RNA) where: Base-Base interactions energy: -812.094 where: short stacking energy: -362.129 Base-Backbone interact. energy: -1.093 local terms energy: -383.315926 where: bonds (distance) C4'-P energy: -68.357 bonds (distance) P-C4' energy: -87.310 flat angles C4'-P-C4' energy: -84.009 flat angles P-C4'-P energy: -42.322 tors. eta vs tors. theta energy: -101.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1056.114040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.114040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.114040 (E_RNA) where: Base-Base interactions energy: -704.537 where: short stacking energy: -318.577 Base-Backbone interact. energy: -2.534 local terms energy: -349.043457 where: bonds (distance) C4'-P energy: -73.143 bonds (distance) P-C4' energy: -83.357 flat angles C4'-P-C4' energy: -76.507 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -72.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -940.213159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.213159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.213159 (E_RNA) where: Base-Base interactions energy: -595.438 where: short stacking energy: -270.288 Base-Backbone interact. energy: -1.652 local terms energy: -343.122881 where: bonds (distance) C4'-P energy: -74.171 bonds (distance) P-C4' energy: -81.691 flat angles C4'-P-C4' energy: -73.829 flat angles P-C4'-P energy: -48.920 tors. eta vs tors. theta energy: -64.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -756.522491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.522491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.522491 (E_RNA) where: Base-Base interactions energy: -453.268 where: short stacking energy: -215.304 Base-Backbone interact. energy: -1.527 local terms energy: -301.727083 where: bonds (distance) C4'-P energy: -85.349 bonds (distance) P-C4' energy: -70.714 flat angles C4'-P-C4' energy: -71.023 flat angles P-C4'-P energy: -33.218 tors. eta vs tors. theta energy: -41.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -539.938209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.938209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.938209 (E_RNA) where: Base-Base interactions energy: -294.842 where: short stacking energy: -155.631 Base-Backbone interact. energy: 1.435 local terms energy: -246.531327 where: bonds (distance) C4'-P energy: -71.716 bonds (distance) P-C4' energy: -73.608 flat angles C4'-P-C4' energy: -62.785 flat angles P-C4'-P energy: -42.126 tors. eta vs tors. theta energy: 3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1529.352969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.352969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.352969 (E_RNA) where: Base-Base interactions energy: -1060.240 where: short stacking energy: -440.671 Base-Backbone interact. energy: -0.040 local terms energy: -469.072948 where: bonds (distance) C4'-P energy: -88.759 bonds (distance) P-C4' energy: -92.662 flat angles C4'-P-C4' energy: -99.186 flat angles P-C4'-P energy: -59.363 tors. eta vs tors. theta energy: -129.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1438.581504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.581504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.581504 (E_RNA) where: Base-Base interactions energy: -999.495 where: short stacking energy: -425.916 Base-Backbone interact. energy: -1.633 local terms energy: -437.453340 where: bonds (distance) C4'-P energy: -89.358 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -92.271 flat angles P-C4'-P energy: -68.876 tors. eta vs tors. theta energy: -116.370 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: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1425.895376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.895376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.895376 (E_RNA) where: Base-Base interactions energy: -1027.793 where: short stacking energy: -427.979 Base-Backbone interact. energy: -3.649 local terms energy: -394.452929 where: bonds (distance) C4'-P energy: -73.113 bonds (distance) P-C4' energy: -70.580 flat angles C4'-P-C4' energy: -82.622 flat angles P-C4'-P energy: -59.105 tors. eta vs tors. theta energy: -109.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1364.220970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.220970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.220970 (E_RNA) where: Base-Base interactions energy: -929.296 where: short stacking energy: -412.296 Base-Backbone interact. energy: 1.219 local terms energy: -436.143628 where: bonds (distance) C4'-P energy: -79.857 bonds (distance) P-C4' energy: -88.786 flat angles C4'-P-C4' energy: -95.726 flat angles P-C4'-P energy: -54.092 tors. eta vs tors. theta energy: -117.683 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: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1296.014880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.014880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.014880 (E_RNA) where: Base-Base interactions energy: -911.715 where: short stacking energy: -387.946 Base-Backbone interact. energy: 4.611 local terms energy: -388.910852 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -75.521 flat angles C4'-P-C4' energy: -86.372 flat angles P-C4'-P energy: -59.096 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: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1225.144931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.144931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.144931 (E_RNA) where: Base-Base interactions energy: -849.938 where: short stacking energy: -349.432 Base-Backbone interact. energy: -0.608 local terms energy: -374.598936 where: bonds (distance) C4'-P energy: -64.616 bonds (distance) P-C4' energy: -76.097 flat angles C4'-P-C4' energy: -84.345 flat angles P-C4'-P energy: -59.557 tors. eta vs tors. theta energy: -89.985 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: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1039.575015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.575015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.575015 (E_RNA) where: Base-Base interactions energy: -689.466 where: short stacking energy: -330.446 Base-Backbone interact. energy: -0.891 local terms energy: -349.217660 where: bonds (distance) C4'-P energy: -74.933 bonds (distance) P-C4' energy: -67.175 flat angles C4'-P-C4' energy: -76.246 flat angles P-C4'-P energy: -50.032 tors. eta vs tors. theta energy: -80.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -948.466908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.466908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.466908 (E_RNA) where: Base-Base interactions energy: -622.527 where: short stacking energy: -299.209 Base-Backbone interact. energy: -1.510 local terms energy: -324.429968 where: bonds (distance) C4'-P energy: -70.144 bonds (distance) P-C4' energy: -59.417 flat angles C4'-P-C4' energy: -78.596 flat angles P-C4'-P energy: -46.985 tors. eta vs tors. theta energy: -69.288 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: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -728.377825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.377825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.377825 (E_RNA) where: Base-Base interactions energy: -447.052 where: short stacking energy: -213.959 Base-Backbone interact. energy: 0.615 local terms energy: -282.027167 where: bonds (distance) C4'-P energy: -70.865 bonds (distance) P-C4' energy: -85.957 flat angles C4'-P-C4' energy: -58.597 flat angles P-C4'-P energy: -42.004 tors. eta vs tors. theta energy: -24.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.086 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -556.683139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.683139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.683139 (E_RNA) where: Base-Base interactions energy: -313.953 where: short stacking energy: -151.222 Base-Backbone interact. energy: -1.039 local terms energy: -241.691277 where: bonds (distance) C4'-P energy: -72.900 bonds (distance) P-C4' energy: -71.962 flat angles C4'-P-C4' energy: -62.144 flat angles P-C4'-P energy: -31.152 tors. eta vs tors. theta energy: -3.534 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: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1465.224242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.224242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.224242 (E_RNA) where: Base-Base interactions energy: -1013.212 where: short stacking energy: -409.722 Base-Backbone interact. energy: -0.330 local terms energy: -451.682327 where: bonds (distance) C4'-P energy: -78.816 bonds (distance) P-C4' energy: -94.804 flat angles C4'-P-C4' energy: -100.364 flat angles P-C4'-P energy: -67.092 tors. eta vs tors. theta energy: -110.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1484.487449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.487449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.487449 (E_RNA) where: Base-Base interactions energy: -1041.018 where: short stacking energy: -410.748 Base-Backbone interact. energy: 1.443 local terms energy: -444.912500 where: bonds (distance) C4'-P energy: -85.156 bonds (distance) P-C4' energy: -93.137 flat angles C4'-P-C4' energy: -83.883 flat angles P-C4'-P energy: -67.435 tors. eta vs tors. theta energy: -115.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1431.438560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.438560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.438560 (E_RNA) where: Base-Base interactions energy: -1008.275 where: short stacking energy: -392.017 Base-Backbone interact. energy: -3.345 local terms energy: -419.818829 where: bonds (distance) C4'-P energy: -77.965 bonds (distance) P-C4' energy: -83.434 flat angles C4'-P-C4' energy: -94.937 flat angles P-C4'-P energy: -60.822 tors. eta vs tors. theta energy: -102.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1369.201332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.201332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.201332 (E_RNA) where: Base-Base interactions energy: -944.700 where: short stacking energy: -413.308 Base-Backbone interact. energy: -0.936 local terms energy: -423.565455 where: bonds (distance) C4'-P energy: -83.149 bonds (distance) P-C4' energy: -78.031 flat angles C4'-P-C4' energy: -90.455 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -118.660 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: 360 Temperature: 1.100000 Total energy: -1293.408804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.408804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.408804 (E_RNA) where: Base-Base interactions energy: -889.086 where: short stacking energy: -386.874 Base-Backbone interact. energy: 2.483 local terms energy: -406.806344 where: bonds (distance) C4'-P energy: -76.143 bonds (distance) P-C4' energy: -81.379 flat angles C4'-P-C4' energy: -95.414 flat angles P-C4'-P energy: -44.998 tors. eta vs tors. theta energy: -108.873 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: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1197.230971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.230971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.230971 (E_RNA) where: Base-Base interactions energy: -830.970 where: short stacking energy: -345.079 Base-Backbone interact. energy: -0.486 local terms energy: -365.774497 where: bonds (distance) C4'-P energy: -63.238 bonds (distance) P-C4' energy: -79.919 flat angles C4'-P-C4' energy: -87.244 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -88.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1062.377871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.377871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.377871 (E_RNA) where: Base-Base interactions energy: -714.166 where: short stacking energy: -324.378 Base-Backbone interact. energy: 1.912 local terms energy: -350.124212 where: bonds (distance) C4'-P energy: -68.732 bonds (distance) P-C4' energy: -66.577 flat angles C4'-P-C4' energy: -78.473 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -87.032 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: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -929.108934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.108934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.108934 (E_RNA) where: Base-Base interactions energy: -605.131 where: short stacking energy: -266.449 Base-Backbone interact. energy: -0.656 local terms energy: -323.321729 where: bonds (distance) C4'-P energy: -74.533 bonds (distance) P-C4' energy: -72.020 flat angles C4'-P-C4' energy: -73.820 flat angles P-C4'-P energy: -52.593 tors. eta vs tors. theta energy: -50.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -723.689461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.689461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.689461 (E_RNA) where: Base-Base interactions energy: -439.479 where: short stacking energy: -205.958 Base-Backbone interact. energy: -1.559 local terms energy: -282.650720 where: bonds (distance) C4'-P energy: -54.167 bonds (distance) P-C4' energy: -84.492 flat angles C4'-P-C4' energy: -59.270 flat angles P-C4'-P energy: -52.363 tors. eta vs tors. theta energy: -32.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -603.282893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.282893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.282893 (E_RNA) where: Base-Base interactions energy: -366.745 where: short stacking energy: -185.697 Base-Backbone interact. energy: 5.378 local terms energy: -241.915499 where: bonds (distance) C4'-P energy: -62.941 bonds (distance) P-C4' energy: -71.541 flat angles C4'-P-C4' energy: -58.946 flat angles P-C4'-P energy: -40.563 tors. eta vs tors. theta energy: -7.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1450.414882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.414882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.414882 (E_RNA) where: Base-Base interactions energy: -1022.729 where: short stacking energy: -424.724 Base-Backbone interact. energy: -2.494 local terms energy: -425.191831 where: bonds (distance) C4'-P energy: -69.541 bonds (distance) P-C4' energy: -89.343 flat angles C4'-P-C4' energy: -97.355 flat angles P-C4'-P energy: -59.466 tors. eta vs tors. theta energy: -109.487 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: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1479.719041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.719041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.719041 (E_RNA) where: Base-Base interactions energy: -1012.980 where: short stacking energy: -409.691 Base-Backbone interact. energy: -1.047 local terms energy: -465.692369 where: bonds (distance) C4'-P energy: -91.128 bonds (distance) P-C4' energy: -93.481 flat angles C4'-P-C4' energy: -98.534 flat angles P-C4'-P energy: -62.313 tors. eta vs tors. theta energy: -120.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1461.848211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.848211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.848211 (E_RNA) where: Base-Base interactions energy: -1052.925 where: short stacking energy: -416.923 Base-Backbone interact. energy: -3.452 local terms energy: -405.471088 where: bonds (distance) C4'-P energy: -72.882 bonds (distance) P-C4' energy: -82.433 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -52.351 tors. eta vs tors. theta energy: -107.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1395.155018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.155018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.155018 (E_RNA) where: Base-Base interactions energy: -972.991 where: short stacking energy: -430.980 Base-Backbone interact. energy: -1.371 local terms energy: -420.792689 where: bonds (distance) C4'-P energy: -66.894 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -98.106 flat angles P-C4'-P energy: -49.574 tors. eta vs tors. theta energy: -118.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1318.480099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.480099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.480099 (E_RNA) where: Base-Base interactions energy: -927.825 where: short stacking energy: -420.417 Base-Backbone interact. energy: -0.761 local terms energy: -389.894572 where: bonds (distance) C4'-P energy: -70.015 bonds (distance) P-C4' energy: -62.220 flat angles C4'-P-C4' energy: -88.326 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -111.481 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: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1175.923094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.923094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.923094 (E_RNA) where: Base-Base interactions energy: -808.862 where: short stacking energy: -341.036 Base-Backbone interact. energy: -1.309 local terms energy: -365.752388 where: bonds (distance) C4'-P energy: -67.958 bonds (distance) P-C4' energy: -76.164 flat angles C4'-P-C4' energy: -86.453 flat angles P-C4'-P energy: -51.099 tors. eta vs tors. theta energy: -84.079 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: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1044.643616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.643616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.643616 (E_RNA) where: Base-Base interactions energy: -707.264 where: short stacking energy: -345.631 Base-Backbone interact. energy: 0.537 local terms energy: -337.916977 where: bonds (distance) C4'-P energy: -68.335 bonds (distance) P-C4' energy: -66.677 flat angles C4'-P-C4' energy: -77.855 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -79.172 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: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -941.698005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.698005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.698005 (E_RNA) where: Base-Base interactions energy: -611.766 where: short stacking energy: -278.422 Base-Backbone interact. energy: -0.969 local terms energy: -328.963054 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -62.715 flat angles C4'-P-C4' energy: -85.350 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: -75.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -706.571458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.571458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.571458 (E_RNA) where: Base-Base interactions energy: -427.887 where: short stacking energy: -200.696 Base-Backbone interact. energy: -1.466 local terms energy: -277.219286 where: bonds (distance) C4'-P energy: -72.632 bonds (distance) P-C4' energy: -67.459 flat angles C4'-P-C4' energy: -62.270 flat angles P-C4'-P energy: -52.632 tors. eta vs tors. theta energy: -22.227 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: 2 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -619.124676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.124676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.124676 (E_RNA) where: Base-Base interactions energy: -362.308 where: short stacking energy: -173.078 Base-Backbone interact. energy: 3.224 local terms energy: -260.040175 where: bonds (distance) C4'-P energy: -68.856 bonds (distance) P-C4' energy: -69.294 flat angles C4'-P-C4' energy: -59.091 flat angles P-C4'-P energy: -43.194 tors. eta vs tors. theta energy: -19.605 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: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1491.464494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.464494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.464494 (E_RNA) where: Base-Base interactions energy: -1067.844 where: short stacking energy: -419.271 Base-Backbone interact. energy: 2.023 local terms energy: -425.643509 where: bonds (distance) C4'-P energy: -81.570 bonds (distance) P-C4' energy: -75.689 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -61.176 tors. eta vs tors. theta energy: -116.802 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: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1469.082784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.082784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.082784 (E_RNA) where: Base-Base interactions energy: -1028.231 where: short stacking energy: -407.172 Base-Backbone interact. energy: -1.019 local terms energy: -439.832344 where: bonds (distance) C4'-P energy: -86.703 bonds (distance) P-C4' energy: -84.213 flat angles C4'-P-C4' energy: -88.089 flat angles P-C4'-P energy: -56.971 tors. eta vs tors. theta energy: -123.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1430.278272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.278272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.278272 (E_RNA) where: Base-Base interactions energy: -1010.139 where: short stacking energy: -394.289 Base-Backbone interact. energy: -3.927 local terms energy: -416.211466 where: bonds (distance) C4'-P energy: -87.568 bonds (distance) P-C4' energy: -78.749 flat angles C4'-P-C4' energy: -78.585 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: -115.210 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: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1355.838140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.838140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.838140 (E_RNA) where: Base-Base interactions energy: -932.617 where: short stacking energy: -402.379 Base-Backbone interact. energy: -0.301 local terms energy: -422.919926 where: bonds (distance) C4'-P energy: -65.970 bonds (distance) P-C4' energy: -93.905 flat angles C4'-P-C4' energy: -88.343 flat angles P-C4'-P energy: -56.590 tors. eta vs tors. theta energy: -118.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1324.652752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.652752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.652752 (E_RNA) where: Base-Base interactions energy: -906.821 where: short stacking energy: -394.623 Base-Backbone interact. energy: 0.130 local terms energy: -417.961579 where: bonds (distance) C4'-P energy: -79.233 bonds (distance) P-C4' energy: -80.161 flat angles C4'-P-C4' energy: -93.709 flat angles P-C4'-P energy: -56.783 tors. eta vs tors. theta energy: -108.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1205.040982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.040982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.040982 (E_RNA) where: Base-Base interactions energy: -831.476 where: short stacking energy: -347.441 Base-Backbone interact. energy: -0.353 local terms energy: -373.211353 where: bonds (distance) C4'-P energy: -77.146 bonds (distance) P-C4' energy: -81.571 flat angles C4'-P-C4' energy: -79.837 flat angles P-C4'-P energy: -48.697 tors. eta vs tors. theta energy: -85.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1039.542541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.542541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.542541 (E_RNA) where: Base-Base interactions energy: -703.104 where: short stacking energy: -321.065 Base-Backbone interact. energy: 2.982 local terms energy: -339.420279 where: bonds (distance) C4'-P energy: -80.066 bonds (distance) P-C4' energy: -52.573 flat angles C4'-P-C4' energy: -74.747 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -81.563 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: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -885.597206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.597206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.597206 (E_RNA) where: Base-Base interactions energy: -572.969 where: short stacking energy: -259.454 Base-Backbone interact. energy: -1.418 local terms energy: -311.209782 where: bonds (distance) C4'-P energy: -57.355 bonds (distance) P-C4' energy: -65.444 flat angles C4'-P-C4' energy: -82.576 flat angles P-C4'-P energy: -46.397 tors. eta vs tors. theta energy: -59.438 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: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -658.557587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.557587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.557587 (E_RNA) where: Base-Base interactions energy: -372.469 where: short stacking energy: -194.196 Base-Backbone interact. energy: 2.799 local terms energy: -288.888280 where: bonds (distance) C4'-P energy: -71.825 bonds (distance) P-C4' energy: -74.367 flat angles C4'-P-C4' energy: -79.566 flat angles P-C4'-P energy: -43.518 tors. eta vs tors. theta energy: -19.612 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: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -665.513027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.513027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.513027 (E_RNA) where: Base-Base interactions energy: -415.950 where: short stacking energy: -194.772 Base-Backbone interact. energy: 3.774 local terms energy: -253.336414 where: bonds (distance) C4'-P energy: -58.342 bonds (distance) P-C4' energy: -69.532 flat angles C4'-P-C4' energy: -55.650 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: -21.273 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: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1506.396249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.396249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.396249 (E_RNA) where: Base-Base interactions energy: -1067.087 where: short stacking energy: -432.314 Base-Backbone interact. energy: -0.340 local terms energy: -438.969591 where: bonds (distance) C4'-P energy: -76.302 bonds (distance) P-C4' energy: -90.451 flat angles C4'-P-C4' energy: -98.404 flat angles P-C4'-P energy: -56.335 tors. eta vs tors. theta energy: -117.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1416.692891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.692891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.692891 (E_RNA) where: Base-Base interactions energy: -997.184 where: short stacking energy: -426.585 Base-Backbone interact. energy: -1.683 local terms energy: -417.826607 where: bonds (distance) C4'-P energy: -76.085 bonds (distance) P-C4' energy: -80.434 flat angles C4'-P-C4' energy: -84.695 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -122.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1452.141694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.141694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.141694 (E_RNA) where: Base-Base interactions energy: -1027.395 where: short stacking energy: -416.610 Base-Backbone interact. energy: -3.182 local terms energy: -421.564983 where: bonds (distance) C4'-P energy: -84.641 bonds (distance) P-C4' energy: -79.394 flat angles C4'-P-C4' energy: -77.467 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -115.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1344.029301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.029301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.029301 (E_RNA) where: Base-Base interactions energy: -923.295 where: short stacking energy: -405.808 Base-Backbone interact. energy: 1.861 local terms energy: -422.594814 where: bonds (distance) C4'-P energy: -76.002 bonds (distance) P-C4' energy: -78.079 flat angles C4'-P-C4' energy: -95.072 flat angles P-C4'-P energy: -56.968 tors. eta vs tors. theta energy: -116.474 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: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1318.116206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.116206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.116206 (E_RNA) where: Base-Base interactions energy: -922.525 where: short stacking energy: -380.966 Base-Backbone interact. energy: -0.898 local terms energy: -394.693052 where: bonds (distance) C4'-P energy: -72.230 bonds (distance) P-C4' energy: -73.348 flat angles C4'-P-C4' energy: -88.922 flat angles P-C4'-P energy: -49.040 tors. eta vs tors. theta energy: -111.152 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: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1192.200063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.200063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.200063 (E_RNA) where: Base-Base interactions energy: -826.418 where: short stacking energy: -356.159 Base-Backbone interact. energy: 3.798 local terms energy: -369.580411 where: bonds (distance) C4'-P energy: -68.750 bonds (distance) P-C4' energy: -80.349 flat angles C4'-P-C4' energy: -79.408 flat angles P-C4'-P energy: -46.197 tors. eta vs tors. theta energy: -94.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1063.244347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.244347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.244347 (E_RNA) where: Base-Base interactions energy: -743.644 where: short stacking energy: -331.977 Base-Backbone interact. energy: -0.039 local terms energy: -319.560727 where: bonds (distance) C4'-P energy: -67.398 bonds (distance) P-C4' energy: -65.286 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -40.053 tors. eta vs tors. theta energy: -76.793 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: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -931.513729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.513729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.513729 (E_RNA) where: Base-Base interactions energy: -596.639 where: short stacking energy: -264.003 Base-Backbone interact. energy: -0.375 local terms energy: -334.499690 where: bonds (distance) C4'-P energy: -64.610 bonds (distance) P-C4' energy: -81.483 flat angles C4'-P-C4' energy: -79.010 flat angles P-C4'-P energy: -42.102 tors. eta vs tors. theta energy: -67.296 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: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -654.258246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.258246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.258246 (E_RNA) where: Base-Base interactions energy: -374.327 where: short stacking energy: -201.447 Base-Backbone interact. energy: 0.088 local terms energy: -280.020046 where: bonds (distance) C4'-P energy: -73.260 bonds (distance) P-C4' energy: -68.855 flat angles C4'-P-C4' energy: -63.684 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -19.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -685.870945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.870945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.870945 (E_RNA) where: Base-Base interactions energy: -425.047 where: short stacking energy: -189.264 Base-Backbone interact. energy: -0.264 local terms energy: -260.560447 where: bonds (distance) C4'-P energy: -66.944 bonds (distance) P-C4' energy: -69.396 flat angles C4'-P-C4' energy: -76.230 flat angles P-C4'-P energy: -27.117 tors. eta vs tors. theta energy: -20.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1501.880292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.880292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.880292 (E_RNA) where: Base-Base interactions energy: -1054.468 where: short stacking energy: -432.523 Base-Backbone interact. energy: -1.287 local terms energy: -446.125876 where: bonds (distance) C4'-P energy: -78.971 bonds (distance) P-C4' energy: -89.514 flat angles C4'-P-C4' energy: -100.656 flat angles P-C4'-P energy: -57.257 tors. eta vs tors. theta energy: -119.727 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: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1405.733100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.733100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.733100 (E_RNA) where: Base-Base interactions energy: -955.888 where: short stacking energy: -403.524 Base-Backbone interact. energy: -0.924 local terms energy: -448.921322 where: bonds (distance) C4'-P energy: -75.938 bonds (distance) P-C4' energy: -88.700 flat angles C4'-P-C4' energy: -97.474 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -119.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1464.221327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.221327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.221327 (E_RNA) where: Base-Base interactions energy: -1046.065 where: short stacking energy: -428.582 Base-Backbone interact. energy: -2.476 local terms energy: -415.680599 where: bonds (distance) C4'-P energy: -81.642 bonds (distance) P-C4' energy: -74.803 flat angles C4'-P-C4' energy: -86.705 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -115.920 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: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1349.225318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.225318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.225318 (E_RNA) where: Base-Base interactions energy: -944.764 where: short stacking energy: -393.851 Base-Backbone interact. energy: -1.867 local terms energy: -402.593771 where: bonds (distance) C4'-P energy: -75.569 bonds (distance) P-C4' energy: -78.484 flat angles C4'-P-C4' energy: -86.936 flat angles P-C4'-P energy: -53.455 tors. eta vs tors. theta energy: -108.150 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: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1315.381300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.381300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.381300 (E_RNA) where: Base-Base interactions energy: -896.015 where: short stacking energy: -393.424 Base-Backbone interact. energy: -2.929 local terms energy: -416.437010 where: bonds (distance) C4'-P energy: -88.332 bonds (distance) P-C4' energy: -77.052 flat angles C4'-P-C4' energy: -93.147 flat angles P-C4'-P energy: -58.090 tors. eta vs tors. theta energy: -99.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1177.431714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.431714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.431714 (E_RNA) where: Base-Base interactions energy: -792.883 where: short stacking energy: -337.592 Base-Backbone interact. energy: -0.092 local terms energy: -384.456674 where: bonds (distance) C4'-P energy: -72.387 bonds (distance) P-C4' energy: -70.138 flat angles C4'-P-C4' energy: -89.885 flat angles P-C4'-P energy: -65.088 tors. eta vs tors. theta energy: -86.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1064.169764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.169764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.169764 (E_RNA) where: Base-Base interactions energy: -709.558 where: short stacking energy: -329.640 Base-Backbone interact. energy: -1.948 local terms energy: -352.663561 where: bonds (distance) C4'-P energy: -65.987 bonds (distance) P-C4' energy: -78.531 flat angles C4'-P-C4' energy: -70.417 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -86.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -970.142608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.142608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.142608 (E_RNA) where: Base-Base interactions energy: -611.282 where: short stacking energy: -281.927 Base-Backbone interact. energy: 1.057 local terms energy: -359.918063 where: bonds (distance) C4'-P energy: -62.782 bonds (distance) P-C4' energy: -84.910 flat angles C4'-P-C4' energy: -91.186 flat angles P-C4'-P energy: -55.363 tors. eta vs tors. theta energy: -65.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -756.208707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.208707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.208707 (E_RNA) where: Base-Base interactions energy: -461.181 where: short stacking energy: -217.880 Base-Backbone interact. energy: -0.683 local terms energy: -294.345196 where: bonds (distance) C4'-P energy: -57.773 bonds (distance) P-C4' energy: -77.243 flat angles C4'-P-C4' energy: -73.854 flat angles P-C4'-P energy: -42.337 tors. eta vs tors. theta energy: -43.138 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: 10, replica: 2 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -597.466902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.466902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.466902 (E_RNA) where: Base-Base interactions energy: -355.223 where: short stacking energy: -193.938 Base-Backbone interact. energy: -2.285 local terms energy: -239.958931 where: bonds (distance) C4'-P energy: -72.428 bonds (distance) P-C4' energy: -62.726 flat angles C4'-P-C4' energy: -58.105 flat angles P-C4'-P energy: -18.533 tors. eta vs tors. theta energy: -28.167 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: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1508.039205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.039205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.039205 (E_RNA) where: Base-Base interactions energy: -1050.869 where: short stacking energy: -432.104 Base-Backbone interact. energy: -0.054 local terms energy: -457.116806 where: bonds (distance) C4'-P energy: -82.201 bonds (distance) P-C4' energy: -90.438 flat angles C4'-P-C4' energy: -100.204 flat angles P-C4'-P energy: -63.840 tors. eta vs tors. theta energy: -120.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1514.064433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.064433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.064433 (E_RNA) where: Base-Base interactions energy: -1099.130 where: short stacking energy: -411.571 Base-Backbone interact. energy: 1.549 local terms energy: -416.483571 where: bonds (distance) C4'-P energy: -75.944 bonds (distance) P-C4' energy: -89.360 flat angles C4'-P-C4' energy: -89.478 flat angles P-C4'-P energy: -46.350 tors. eta vs tors. theta energy: -115.351 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: 3, replica: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1401.471699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.471699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.471699 (E_RNA) where: Base-Base interactions energy: -957.647 where: short stacking energy: -399.490 Base-Backbone interact. energy: -1.507 local terms energy: -442.317378 where: bonds (distance) C4'-P energy: -77.921 bonds (distance) P-C4' energy: -92.144 flat angles C4'-P-C4' energy: -96.497 flat angles P-C4'-P energy: -58.907 tors. eta vs tors. theta energy: -116.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1380.503926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.503926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.503926 (E_RNA) where: Base-Base interactions energy: -942.508 where: short stacking energy: -410.971 Base-Backbone interact. energy: 0.198 local terms energy: -438.193576 where: bonds (distance) C4'-P energy: -69.890 bonds (distance) P-C4' energy: -81.137 flat angles C4'-P-C4' energy: -99.424 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: -118.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1281.599080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.599080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.599080 (E_RNA) where: Base-Base interactions energy: -875.283 where: short stacking energy: -379.136 Base-Backbone interact. energy: -1.250 local terms energy: -405.065636 where: bonds (distance) C4'-P energy: -74.282 bonds (distance) P-C4' energy: -78.923 flat angles C4'-P-C4' energy: -89.949 flat angles P-C4'-P energy: -53.181 tors. eta vs tors. theta energy: -108.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1215.023156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.023156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.023156 (E_RNA) where: Base-Base interactions energy: -832.855 where: short stacking energy: -346.146 Base-Backbone interact. energy: 1.071 local terms energy: -383.239374 where: bonds (distance) C4'-P energy: -76.533 bonds (distance) P-C4' energy: -75.324 flat angles C4'-P-C4' energy: -82.825 flat angles P-C4'-P energy: -63.939 tors. eta vs tors. theta energy: -84.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1040.877355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.877355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.877355 (E_RNA) where: Base-Base interactions energy: -677.957 where: short stacking energy: -303.417 Base-Backbone interact. energy: -0.960 local terms energy: -361.960009 where: bonds (distance) C4'-P energy: -67.597 bonds (distance) P-C4' energy: -80.422 flat angles C4'-P-C4' energy: -80.544 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: -82.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -927.746485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.746485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.746485 (E_RNA) where: Base-Base interactions energy: -581.448 where: short stacking energy: -283.266 Base-Backbone interact. energy: -2.757 local terms energy: -343.541735 where: bonds (distance) C4'-P energy: -72.112 bonds (distance) P-C4' energy: -75.459 flat angles C4'-P-C4' energy: -76.952 flat angles P-C4'-P energy: -50.634 tors. eta vs tors. theta energy: -68.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -769.661048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.661048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.661048 (E_RNA) where: Base-Base interactions energy: -481.047 where: short stacking energy: -211.313 Base-Backbone interact. energy: 7.713 local terms energy: -296.326156 where: bonds (distance) C4'-P energy: -58.741 bonds (distance) P-C4' energy: -73.359 flat angles C4'-P-C4' energy: -81.715 flat angles P-C4'-P energy: -50.106 tors. eta vs tors. theta energy: -32.406 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: 2 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -629.089374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.089374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.089374 (E_RNA) where: Base-Base interactions energy: -363.168 where: short stacking energy: -166.163 Base-Backbone interact. energy: 2.700 local terms energy: -268.621964 where: bonds (distance) C4'-P energy: -71.983 bonds (distance) P-C4' energy: -82.017 flat angles C4'-P-C4' energy: -61.457 flat angles P-C4'-P energy: -37.635 tors. eta vs tors. theta energy: -15.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1525.511469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.511469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.511469 (E_RNA) where: Base-Base interactions energy: -1101.770 where: short stacking energy: -414.761 Base-Backbone interact. energy: -0.286 local terms energy: -423.455631 where: bonds (distance) C4'-P energy: -80.787 bonds (distance) P-C4' energy: -82.115 flat angles C4'-P-C4' energy: -88.126 flat angles P-C4'-P energy: -61.328 tors. eta vs tors. theta energy: -111.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1490.604680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.604680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.604680 (E_RNA) where: Base-Base interactions energy: -1078.718 where: short stacking energy: -416.312 Base-Backbone interact. energy: -0.532 local terms energy: -411.354450 where: bonds (distance) C4'-P energy: -91.523 bonds (distance) P-C4' energy: -86.841 flat angles C4'-P-C4' energy: -73.740 flat angles P-C4'-P energy: -49.364 tors. eta vs tors. theta energy: -109.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1391.772416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.772416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.772416 (E_RNA) where: Base-Base interactions energy: -953.141 where: short stacking energy: -409.311 Base-Backbone interact. energy: 0.304 local terms energy: -438.935710 where: bonds (distance) C4'-P energy: -91.167 bonds (distance) P-C4' energy: -88.565 flat angles C4'-P-C4' energy: -96.489 flat angles P-C4'-P energy: -55.793 tors. eta vs tors. theta energy: -106.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1343.215514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.215514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.215514 (E_RNA) where: Base-Base interactions energy: -921.736 where: short stacking energy: -412.299 Base-Backbone interact. energy: 0.247 local terms energy: -421.726607 where: bonds (distance) C4'-P energy: -90.009 bonds (distance) P-C4' energy: -73.457 flat angles C4'-P-C4' energy: -94.623 flat angles P-C4'-P energy: -50.778 tors. eta vs tors. theta energy: -112.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1295.706411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.706411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.706411 (E_RNA) where: Base-Base interactions energy: -885.910 where: short stacking energy: -385.660 Base-Backbone interact. energy: -1.214 local terms energy: -408.582511 where: bonds (distance) C4'-P energy: -66.053 bonds (distance) P-C4' energy: -67.321 flat angles C4'-P-C4' energy: -88.749 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -118.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1199.212657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.212657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.212657 (E_RNA) where: Base-Base interactions energy: -822.889 where: short stacking energy: -344.416 Base-Backbone interact. energy: -2.010 local terms energy: -374.312865 where: bonds (distance) C4'-P energy: -69.330 bonds (distance) P-C4' energy: -79.645 flat angles C4'-P-C4' energy: -84.831 flat angles P-C4'-P energy: -52.170 tors. eta vs tors. theta energy: -88.337 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: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1105.517116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.517116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.517116 (E_RNA) where: Base-Base interactions energy: -755.011 where: short stacking energy: -354.006 Base-Backbone interact. energy: -0.752 local terms energy: -349.753682 where: bonds (distance) C4'-P energy: -60.584 bonds (distance) P-C4' energy: -73.773 flat angles C4'-P-C4' energy: -72.078 flat angles P-C4'-P energy: -59.114 tors. eta vs tors. theta energy: -84.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -898.170754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.170754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.170754 (E_RNA) where: Base-Base interactions energy: -577.160 where: short stacking energy: -274.068 Base-Backbone interact. energy: 1.438 local terms energy: -322.449277 where: bonds (distance) C4'-P energy: -59.607 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -91.656 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: -61.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -813.405190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.405190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.405190 (E_RNA) where: Base-Base interactions energy: -526.042 where: short stacking energy: -239.543 Base-Backbone interact. energy: -0.587 local terms energy: -286.776724 where: bonds (distance) C4'-P energy: -58.160 bonds (distance) P-C4' energy: -81.643 flat angles C4'-P-C4' energy: -64.298 flat angles P-C4'-P energy: -42.668 tors. eta vs tors. theta energy: -40.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -620.677817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.677817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.677817 (E_RNA) where: Base-Base interactions energy: -348.979 where: short stacking energy: -161.858 Base-Backbone interact. energy: -4.239 local terms energy: -267.459386 where: bonds (distance) C4'-P energy: -56.539 bonds (distance) P-C4' energy: -72.340 flat angles C4'-P-C4' energy: -66.777 flat angles P-C4'-P energy: -44.367 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: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1542.691231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.691231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.691231 (E_RNA) where: Base-Base interactions energy: -1093.817 where: short stacking energy: -444.360 Base-Backbone interact. energy: -2.282 local terms energy: -446.592341 where: bonds (distance) C4'-P energy: -89.937 bonds (distance) P-C4' energy: -88.538 flat angles C4'-P-C4' energy: -92.990 flat angles P-C4'-P energy: -59.763 tors. eta vs tors. theta energy: -115.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1489.126506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.126506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.126506 (E_RNA) where: Base-Base interactions energy: -1051.338 where: short stacking energy: -421.320 Base-Backbone interact. energy: 5.647 local terms energy: -443.435952 where: bonds (distance) C4'-P energy: -81.232 bonds (distance) P-C4' energy: -81.018 flat angles C4'-P-C4' energy: -99.418 flat angles P-C4'-P energy: -65.303 tors. eta vs tors. theta energy: -116.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1390.538165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.538165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.538165 (E_RNA) where: Base-Base interactions energy: -958.239 where: short stacking energy: -401.315 Base-Backbone interact. energy: -0.881 local terms energy: -431.417983 where: bonds (distance) C4'-P energy: -84.738 bonds (distance) P-C4' energy: -75.327 flat angles C4'-P-C4' energy: -98.598 flat angles P-C4'-P energy: -64.562 tors. eta vs tors. theta energy: -108.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1335.065360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.065360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.065360 (E_RNA) where: Base-Base interactions energy: -921.460 where: short stacking energy: -395.412 Base-Backbone interact. energy: -1.081 local terms energy: -412.523859 where: bonds (distance) C4'-P energy: -74.064 bonds (distance) P-C4' energy: -76.231 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -61.501 tors. eta vs tors. theta energy: -103.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1300.808641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.808641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.808641 (E_RNA) where: Base-Base interactions energy: -901.645 where: short stacking energy: -403.050 Base-Backbone interact. energy: -1.343 local terms energy: -397.820317 where: bonds (distance) C4'-P energy: -56.069 bonds (distance) P-C4' energy: -76.549 flat angles C4'-P-C4' energy: -86.722 flat angles P-C4'-P energy: -60.425 tors. eta vs tors. theta energy: -118.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1192.272142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.272142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.272142 (E_RNA) where: Base-Base interactions energy: -823.371 where: short stacking energy: -336.643 Base-Backbone interact. energy: 3.487 local terms energy: -372.387443 where: bonds (distance) C4'-P energy: -77.184 bonds (distance) P-C4' energy: -83.782 flat angles C4'-P-C4' energy: -81.976 flat angles P-C4'-P energy: -48.469 tors. eta vs tors. theta energy: -80.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1110.559100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.559100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.559100 (E_RNA) where: Base-Base interactions energy: -755.075 where: short stacking energy: -342.151 Base-Backbone interact. energy: -2.409 local terms energy: -353.074732 where: bonds (distance) C4'-P energy: -68.906 bonds (distance) P-C4' energy: -68.597 flat angles C4'-P-C4' energy: -82.896 flat angles P-C4'-P energy: -51.117 tors. eta vs tors. theta energy: -81.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -862.094534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.094534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.094534 (E_RNA) where: Base-Base interactions energy: -536.675 where: short stacking energy: -258.790 Base-Backbone interact. energy: 0.367 local terms energy: -325.786357 where: bonds (distance) C4'-P energy: -77.147 bonds (distance) P-C4' energy: -83.827 flat angles C4'-P-C4' energy: -62.982 flat angles P-C4'-P energy: -52.541 tors. eta vs tors. theta energy: -49.290 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: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -821.495318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.495318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.495318 (E_RNA) where: Base-Base interactions energy: -543.494 where: short stacking energy: -232.260 Base-Backbone interact. energy: 0.363 local terms energy: -278.363945 where: bonds (distance) C4'-P energy: -59.261 bonds (distance) P-C4' energy: -55.095 flat angles C4'-P-C4' energy: -72.721 flat angles P-C4'-P energy: -42.769 tors. eta vs tors. theta energy: -48.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -612.388335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.388335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.388335 (E_RNA) where: Base-Base interactions energy: -367.290 where: short stacking energy: -168.852 Base-Backbone interact. energy: 2.483 local terms energy: -247.581559 where: bonds (distance) C4'-P energy: -53.424 bonds (distance) P-C4' energy: -66.713 flat angles C4'-P-C4' energy: -72.661 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -17.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1544.008846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.008846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.008846 (E_RNA) where: Base-Base interactions energy: -1087.237 where: short stacking energy: -445.295 Base-Backbone interact. energy: -0.572 local terms energy: -456.200063 where: bonds (distance) C4'-P energy: -86.122 bonds (distance) P-C4' energy: -92.227 flat angles C4'-P-C4' energy: -102.426 flat angles P-C4'-P energy: -57.471 tors. eta vs tors. theta energy: -117.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1496.883640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.883640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.883640 (E_RNA) where: Base-Base interactions energy: -1077.035 where: short stacking energy: -424.243 Base-Backbone interact. energy: -3.201 local terms energy: -416.647792 where: bonds (distance) C4'-P energy: -78.774 bonds (distance) P-C4' energy: -78.148 flat angles C4'-P-C4' energy: -94.448 flat angles P-C4'-P energy: -56.853 tors. eta vs tors. theta energy: -108.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1410.527955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.527955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.527955 (E_RNA) where: Base-Base interactions energy: -1001.555 where: short stacking energy: -421.227 Base-Backbone interact. energy: -1.342 local terms energy: -407.630869 where: bonds (distance) C4'-P energy: -77.113 bonds (distance) P-C4' energy: -79.772 flat angles C4'-P-C4' energy: -89.925 flat angles P-C4'-P energy: -45.431 tors. eta vs tors. theta energy: -115.390 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: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1333.445608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.445608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.445608 (E_RNA) where: Base-Base interactions energy: -933.878 where: short stacking energy: -413.202 Base-Backbone interact. energy: -1.915 local terms energy: -397.652916 where: bonds (distance) C4'-P energy: -75.125 bonds (distance) P-C4' energy: -77.970 flat angles C4'-P-C4' energy: -89.097 flat angles P-C4'-P energy: -43.310 tors. eta vs tors. theta energy: -112.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1237.688653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.688653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.688653 (E_RNA) where: Base-Base interactions energy: -864.474 where: short stacking energy: -381.469 Base-Backbone interact. energy: -0.044 local terms energy: -373.170844 where: bonds (distance) C4'-P energy: -67.304 bonds (distance) P-C4' energy: -58.494 flat angles C4'-P-C4' energy: -88.115 flat angles P-C4'-P energy: -54.625 tors. eta vs tors. theta energy: -104.632 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: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1204.220255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.220255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.220255 (E_RNA) where: Base-Base interactions energy: -822.749 where: short stacking energy: -331.077 Base-Backbone interact. energy: -0.583 local terms energy: -380.888206 where: bonds (distance) C4'-P energy: -68.779 bonds (distance) P-C4' energy: -74.720 flat angles C4'-P-C4' energy: -84.563 flat angles P-C4'-P energy: -64.896 tors. eta vs tors. theta energy: -87.930 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: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1084.347102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.347102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.347102 (E_RNA) where: Base-Base interactions energy: -752.357 where: short stacking energy: -351.763 Base-Backbone interact. energy: 2.401 local terms energy: -334.391098 where: bonds (distance) C4'-P energy: -59.123 bonds (distance) P-C4' energy: -63.539 flat angles C4'-P-C4' energy: -78.717 flat angles P-C4'-P energy: -49.457 tors. eta vs tors. theta energy: -83.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -892.445101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.445101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.445101 (E_RNA) where: Base-Base interactions energy: -570.601 where: short stacking energy: -266.564 Base-Backbone interact. energy: -0.374 local terms energy: -321.470087 where: bonds (distance) C4'-P energy: -85.249 bonds (distance) P-C4' energy: -59.247 flat angles C4'-P-C4' energy: -64.868 flat angles P-C4'-P energy: -53.940 tors. eta vs tors. theta energy: -58.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -764.851881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.851881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.851881 (E_RNA) where: Base-Base interactions energy: -492.417 where: short stacking energy: -222.847 Base-Backbone interact. energy: -1.699 local terms energy: -270.735591 where: bonds (distance) C4'-P energy: -77.405 bonds (distance) P-C4' energy: -68.723 flat angles C4'-P-C4' energy: -62.603 flat angles P-C4'-P energy: -33.054 tors. eta vs tors. theta energy: -28.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -623.426478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.426478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.426478 (E_RNA) where: Base-Base interactions energy: -378.109 where: short stacking energy: -161.628 Base-Backbone interact. energy: -2.212 local terms energy: -243.105368 where: bonds (distance) C4'-P energy: -66.963 bonds (distance) P-C4' energy: -72.326 flat angles C4'-P-C4' energy: -52.285 flat angles P-C4'-P energy: -35.995 tors. eta vs tors. theta energy: -15.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1535.633608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.633608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.633608 (E_RNA) where: Base-Base interactions energy: -1090.699 where: short stacking energy: -429.907 Base-Backbone interact. energy: -0.243 local terms energy: -444.691769 where: bonds (distance) C4'-P energy: -89.671 bonds (distance) P-C4' energy: -92.235 flat angles C4'-P-C4' energy: -91.763 flat angles P-C4'-P energy: -62.417 tors. eta vs tors. theta energy: -108.605 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: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1498.293345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.293345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.293345 (E_RNA) where: Base-Base interactions energy: -1081.892 where: short stacking energy: -440.011 Base-Backbone interact. energy: -4.107 local terms energy: -412.293633 where: bonds (distance) C4'-P energy: -82.072 bonds (distance) P-C4' energy: -75.443 flat angles C4'-P-C4' energy: -86.460 flat angles P-C4'-P energy: -61.017 tors. eta vs tors. theta energy: -107.303 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: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1401.439150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.439150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.439150 (E_RNA) where: Base-Base interactions energy: -965.682 where: short stacking energy: -399.540 Base-Backbone interact. energy: 2.796 local terms energy: -438.552644 where: bonds (distance) C4'-P energy: -78.924 bonds (distance) P-C4' energy: -81.148 flat angles C4'-P-C4' energy: -96.035 flat angles P-C4'-P energy: -67.313 tors. eta vs tors. theta energy: -115.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1348.872170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.872170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.872170 (E_RNA) where: Base-Base interactions energy: -918.241 where: short stacking energy: -381.941 Base-Backbone interact. energy: -2.538 local terms energy: -428.093187 where: bonds (distance) C4'-P energy: -83.093 bonds (distance) P-C4' energy: -78.457 flat angles C4'-P-C4' energy: -101.130 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: -102.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1289.691351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.691351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.691351 (E_RNA) where: Base-Base interactions energy: -887.954 where: short stacking energy: -389.195 Base-Backbone interact. energy: -1.001 local terms energy: -400.736580 where: bonds (distance) C4'-P energy: -77.320 bonds (distance) P-C4' energy: -80.005 flat angles C4'-P-C4' energy: -86.350 flat angles P-C4'-P energy: -55.009 tors. eta vs tors. theta energy: -102.053 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: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1237.304827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.304827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.304827 (E_RNA) where: Base-Base interactions energy: -866.279 where: short stacking energy: -369.617 Base-Backbone interact. energy: 0.200 local terms energy: -371.225431 where: bonds (distance) C4'-P energy: -66.740 bonds (distance) P-C4' energy: -79.770 flat angles C4'-P-C4' energy: -73.727 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: -95.854 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: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1079.292111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.292111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.292111 (E_RNA) where: Base-Base interactions energy: -719.357 where: short stacking energy: -321.133 Base-Backbone interact. energy: 1.141 local terms energy: -361.075925 where: bonds (distance) C4'-P energy: -70.512 bonds (distance) P-C4' energy: -81.428 flat angles C4'-P-C4' energy: -76.893 flat angles P-C4'-P energy: -60.839 tors. eta vs tors. theta energy: -71.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -961.167664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.167664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.167664 (E_RNA) where: Base-Base interactions energy: -634.811 where: short stacking energy: -274.169 Base-Backbone interact. energy: -3.221 local terms energy: -323.136437 where: bonds (distance) C4'-P energy: -76.571 bonds (distance) P-C4' energy: -65.338 flat angles C4'-P-C4' energy: -71.112 flat angles P-C4'-P energy: -49.512 tors. eta vs tors. theta energy: -60.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -791.655978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.655978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.655978 (E_RNA) where: Base-Base interactions energy: -525.885 where: short stacking energy: -231.863 Base-Backbone interact. energy: -0.691 local terms energy: -265.079585 where: bonds (distance) C4'-P energy: -58.898 bonds (distance) P-C4' energy: -84.917 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -27.329 tors. eta vs tors. theta energy: -34.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -657.697740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.697740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.697740 (E_RNA) where: Base-Base interactions energy: -392.341 where: short stacking energy: -205.370 Base-Backbone interact. energy: -2.563 local terms energy: -262.794019 where: bonds (distance) C4'-P energy: -61.102 bonds (distance) P-C4' energy: -68.859 flat angles C4'-P-C4' energy: -65.719 flat angles P-C4'-P energy: -44.335 tors. eta vs tors. theta energy: -22.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1538.469194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.469194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.469194 (E_RNA) where: Base-Base interactions energy: -1094.482 where: short stacking energy: -435.243 Base-Backbone interact. energy: -4.517 local terms energy: -439.470416 where: bonds (distance) C4'-P energy: -83.500 bonds (distance) P-C4' energy: -86.028 flat angles C4'-P-C4' energy: -99.017 flat angles P-C4'-P energy: -60.044 tors. eta vs tors. theta energy: -110.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1483.429218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.429218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.429218 (E_RNA) where: Base-Base interactions energy: -1064.657 where: short stacking energy: -391.055 Base-Backbone interact. energy: 1.759 local terms energy: -420.531893 where: bonds (distance) C4'-P energy: -80.126 bonds (distance) P-C4' energy: -73.329 flat angles C4'-P-C4' energy: -99.410 flat angles P-C4'-P energy: -61.423 tors. eta vs tors. theta energy: -106.244 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: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1397.596681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.596681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.596681 (E_RNA) where: Base-Base interactions energy: -965.692 where: short stacking energy: -407.084 Base-Backbone interact. energy: -1.169 local terms energy: -430.735116 where: bonds (distance) C4'-P energy: -82.517 bonds (distance) P-C4' energy: -75.529 flat angles C4'-P-C4' energy: -95.963 flat angles P-C4'-P energy: -62.997 tors. eta vs tors. theta energy: -113.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1404.425134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.425134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.425134 (E_RNA) where: Base-Base interactions energy: -988.374 where: short stacking energy: -423.951 Base-Backbone interact. energy: -1.949 local terms energy: -414.102877 where: bonds (distance) C4'-P energy: -69.004 bonds (distance) P-C4' energy: -75.761 flat angles C4'-P-C4' energy: -87.983 flat angles P-C4'-P energy: -53.619 tors. eta vs tors. theta energy: -127.736 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: 5, replica: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1356.814801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.814801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.814801 (E_RNA) where: Base-Base interactions energy: -929.095 where: short stacking energy: -424.536 Base-Backbone interact. energy: -2.191 local terms energy: -425.527932 where: bonds (distance) C4'-P energy: -69.906 bonds (distance) P-C4' energy: -92.142 flat angles C4'-P-C4' energy: -80.105 flat angles P-C4'-P energy: -67.572 tors. eta vs tors. theta energy: -115.803 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: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1245.152544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.152544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.152544 (E_RNA) where: Base-Base interactions energy: -872.448 where: short stacking energy: -362.346 Base-Backbone interact. energy: -1.492 local terms energy: -371.212930 where: bonds (distance) C4'-P energy: -62.014 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -87.765 flat angles P-C4'-P energy: -49.919 tors. eta vs tors. theta energy: -102.895 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: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1087.905497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.905497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.905497 (E_RNA) where: Base-Base interactions energy: -709.801 where: short stacking energy: -333.389 Base-Backbone interact. energy: -2.028 local terms energy: -376.076366 where: bonds (distance) C4'-P energy: -70.403 bonds (distance) P-C4' energy: -75.432 flat angles C4'-P-C4' energy: -89.809 flat angles P-C4'-P energy: -49.064 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: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -948.524484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.524484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.524484 (E_RNA) where: Base-Base interactions energy: -647.838 where: short stacking energy: -291.949 Base-Backbone interact. energy: -2.771 local terms energy: -297.915733 where: bonds (distance) C4'-P energy: -46.321 bonds (distance) P-C4' energy: -61.045 flat angles C4'-P-C4' energy: -72.783 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -72.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -783.839114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.839114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.839114 (E_RNA) where: Base-Base interactions energy: -519.416 where: short stacking energy: -235.204 Base-Backbone interact. energy: -1.308 local terms energy: -263.114898 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -76.130 flat angles C4'-P-C4' energy: -53.304 flat angles P-C4'-P energy: -29.029 tors. eta vs tors. theta energy: -43.875 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: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -627.391284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.391284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.391284 (E_RNA) where: Base-Base interactions energy: -354.232 where: short stacking energy: -188.867 Base-Backbone interact. energy: 0.915 local terms energy: -274.073604 where: bonds (distance) C4'-P energy: -69.422 bonds (distance) P-C4' energy: -78.822 flat angles C4'-P-C4' energy: -47.503 flat angles P-C4'-P energy: -49.579 tors. eta vs tors. theta energy: -28.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1541.481248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.481248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.481248 (E_RNA) where: Base-Base interactions energy: -1102.486 where: short stacking energy: -434.296 Base-Backbone interact. energy: -0.741 local terms energy: -438.254206 where: bonds (distance) C4'-P energy: -85.205 bonds (distance) P-C4' energy: -88.240 flat angles C4'-P-C4' energy: -92.765 flat angles P-C4'-P energy: -55.264 tors. eta vs tors. theta energy: -116.780 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: 2, replica: 7 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1491.521294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.521294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.521294 (E_RNA) where: Base-Base interactions energy: -1059.936 where: short stacking energy: -437.668 Base-Backbone interact. energy: -0.010 local terms energy: -432.173545 where: bonds (distance) C4'-P energy: -84.067 bonds (distance) P-C4' energy: -80.175 flat angles C4'-P-C4' energy: -90.514 flat angles P-C4'-P energy: -56.025 tors. eta vs tors. theta energy: -121.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.599 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1400.874279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.874279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.874279 (E_RNA) where: Base-Base interactions energy: -965.392 where: short stacking energy: -406.721 Base-Backbone interact. energy: -1.255 local terms energy: -434.227121 where: bonds (distance) C4'-P energy: -82.517 bonds (distance) P-C4' energy: -76.306 flat angles C4'-P-C4' energy: -88.993 flat angles P-C4'-P energy: -72.712 tors. eta vs tors. theta energy: -113.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1383.810799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.810799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.810799 (E_RNA) where: Base-Base interactions energy: -974.609 where: short stacking energy: -420.608 Base-Backbone interact. energy: -1.087 local terms energy: -408.114766 where: bonds (distance) C4'-P energy: -80.203 bonds (distance) P-C4' energy: -69.393 flat angles C4'-P-C4' energy: -84.940 flat angles P-C4'-P energy: -61.787 tors. eta vs tors. theta energy: -111.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1309.723789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.723789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.723789 (E_RNA) where: Base-Base interactions energy: -894.160 where: short stacking energy: -391.532 Base-Backbone interact. energy: -0.824 local terms energy: -414.739415 where: bonds (distance) C4'-P energy: -82.315 bonds (distance) P-C4' energy: -80.300 flat angles C4'-P-C4' energy: -89.289 flat angles P-C4'-P energy: -54.535 tors. eta vs tors. theta energy: -108.302 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: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1189.523423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.523423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.523423 (E_RNA) where: Base-Base interactions energy: -826.366 where: short stacking energy: -347.403 Base-Backbone interact. energy: -1.626 local terms energy: -361.531583 where: bonds (distance) C4'-P energy: -66.941 bonds (distance) P-C4' energy: -69.789 flat angles C4'-P-C4' energy: -86.249 flat angles P-C4'-P energy: -56.290 tors. eta vs tors. theta energy: -82.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1077.699008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.699008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.699008 (E_RNA) where: Base-Base interactions energy: -730.352 where: short stacking energy: -330.432 Base-Backbone interact. energy: -2.788 local terms energy: -344.558889 where: bonds (distance) C4'-P energy: -65.759 bonds (distance) P-C4' energy: -70.676 flat angles C4'-P-C4' energy: -83.109 flat angles P-C4'-P energy: -48.323 tors. eta vs tors. theta energy: -76.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -818.160221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.160221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.160221 (E_RNA) where: Base-Base interactions energy: -517.709 where: short stacking energy: -231.050 Base-Backbone interact. energy: -2.279 local terms energy: -298.171374 where: bonds (distance) C4'-P energy: -70.285 bonds (distance) P-C4' energy: -77.972 flat angles C4'-P-C4' energy: -77.988 flat angles P-C4'-P energy: -29.913 tors. eta vs tors. theta energy: -42.014 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: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -869.351593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.351593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.351593 (E_RNA) where: Base-Base interactions energy: -574.276 where: short stacking energy: -255.959 Base-Backbone interact. energy: 1.349 local terms energy: -296.424515 where: bonds (distance) C4'-P energy: -52.199 bonds (distance) P-C4' energy: -79.937 flat angles C4'-P-C4' energy: -65.481 flat angles P-C4'-P energy: -46.035 tors. eta vs tors. theta energy: -52.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -598.883280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.883280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.883280 (E_RNA) where: Base-Base interactions energy: -347.687 where: short stacking energy: -153.195 Base-Backbone interact. energy: -1.269 local terms energy: -249.926763 where: bonds (distance) C4'-P energy: -73.551 bonds (distance) P-C4' energy: -74.920 flat angles C4'-P-C4' energy: -57.128 flat angles P-C4'-P energy: -42.102 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1536.383286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.383286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.383286 (E_RNA) where: Base-Base interactions energy: -1100.864 where: short stacking energy: -431.504 Base-Backbone interact. energy: -2.305 local terms energy: -433.214507 where: bonds (distance) C4'-P energy: -80.395 bonds (distance) P-C4' energy: -83.659 flat angles C4'-P-C4' energy: -96.589 flat angles P-C4'-P energy: -64.738 tors. eta vs tors. theta energy: -107.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1494.880666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.880666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.880666 (E_RNA) where: Base-Base interactions energy: -1054.733 where: short stacking energy: -414.459 Base-Backbone interact. energy: -0.698 local terms energy: -439.449609 where: bonds (distance) C4'-P energy: -85.871 bonds (distance) P-C4' energy: -86.702 flat angles C4'-P-C4' energy: -96.542 flat angles P-C4'-P energy: -55.600 tors. eta vs tors. theta energy: -114.735 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: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1411.378359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.378359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.378359 (E_RNA) where: Base-Base interactions energy: -998.833 where: short stacking energy: -426.925 Base-Backbone interact. energy: -3.467 local terms energy: -409.078585 where: bonds (distance) C4'-P energy: -71.404 bonds (distance) P-C4' energy: -74.146 flat angles C4'-P-C4' energy: -89.524 flat angles P-C4'-P energy: -51.485 tors. eta vs tors. theta energy: -122.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1373.233659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.233659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.233659 (E_RNA) where: Base-Base interactions energy: -939.608 where: short stacking energy: -381.665 Base-Backbone interact. energy: -0.916 local terms energy: -432.709551 where: bonds (distance) C4'-P energy: -83.726 bonds (distance) P-C4' energy: -82.055 flat angles C4'-P-C4' energy: -86.936 flat angles P-C4'-P energy: -71.178 tors. eta vs tors. theta energy: -108.815 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: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1352.399085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.399085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.399085 (E_RNA) where: Base-Base interactions energy: -937.754 where: short stacking energy: -396.056 Base-Backbone interact. energy: -2.427 local terms energy: -412.218347 where: bonds (distance) C4'-P energy: -79.184 bonds (distance) P-C4' energy: -75.718 flat angles C4'-P-C4' energy: -89.536 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -115.756 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: 6 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1202.011898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.011898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.011898 (E_RNA) where: Base-Base interactions energy: -846.222 where: short stacking energy: -353.543 Base-Backbone interact. energy: -2.389 local terms energy: -353.400713 where: bonds (distance) C4'-P energy: -68.086 bonds (distance) P-C4' energy: -67.521 flat angles C4'-P-C4' energy: -84.582 flat angles P-C4'-P energy: -53.276 tors. eta vs tors. theta energy: -79.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1044.312000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.312000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.312000 (E_RNA) where: Base-Base interactions energy: -695.526 where: short stacking energy: -323.543 Base-Backbone interact. energy: -1.188 local terms energy: -347.598032 where: bonds (distance) C4'-P energy: -62.846 bonds (distance) P-C4' energy: -67.942 flat angles C4'-P-C4' energy: -81.133 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -82.385 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: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -843.406180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.406180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.406180 (E_RNA) where: Base-Base interactions energy: -524.027 where: short stacking energy: -227.873 Base-Backbone interact. energy: -2.044 local terms energy: -317.335086 where: bonds (distance) C4'-P energy: -70.466 bonds (distance) P-C4' energy: -84.431 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -57.262 tors. eta vs tors. theta energy: -36.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -864.821304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.821304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.821304 (E_RNA) where: Base-Base interactions energy: -561.265 where: short stacking energy: -239.766 Base-Backbone interact. energy: -3.391 local terms energy: -300.165802 where: bonds (distance) C4'-P energy: -55.104 bonds (distance) P-C4' energy: -72.673 flat angles C4'-P-C4' energy: -74.797 flat angles P-C4'-P energy: -46.268 tors. eta vs tors. theta energy: -51.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -567.590776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.590776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.590776 (E_RNA) where: Base-Base interactions energy: -311.732 where: short stacking energy: -151.422 Base-Backbone interact. energy: 3.208 local terms energy: -259.066957 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -70.813 flat angles C4'-P-C4' energy: -73.373 flat angles P-C4'-P energy: -47.894 tors. eta vs tors. theta energy: -3.184 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: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1541.809582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.809582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.809582 (E_RNA) where: Base-Base interactions energy: -1089.942 where: short stacking energy: -440.920 Base-Backbone interact. energy: -5.594 local terms energy: -446.273526 where: bonds (distance) C4'-P energy: -95.265 bonds (distance) P-C4' energy: -83.800 flat angles C4'-P-C4' energy: -84.930 flat angles P-C4'-P energy: -65.062 tors. eta vs tors. theta energy: -117.216 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: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1492.115710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.115710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.115710 (E_RNA) where: Base-Base interactions energy: -1063.915 where: short stacking energy: -412.715 Base-Backbone interact. energy: -2.500 local terms energy: -425.700725 where: bonds (distance) C4'-P energy: -74.140 bonds (distance) P-C4' energy: -84.753 flat angles C4'-P-C4' energy: -96.009 flat angles P-C4'-P energy: -55.638 tors. eta vs tors. theta energy: -115.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1404.828019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.828019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.828019 (E_RNA) where: Base-Base interactions energy: -976.962 where: short stacking energy: -427.541 Base-Backbone interact. energy: -1.634 local terms energy: -426.232235 where: bonds (distance) C4'-P energy: -87.588 bonds (distance) P-C4' energy: -74.169 flat angles C4'-P-C4' energy: -87.099 flat angles P-C4'-P energy: -59.611 tors. eta vs tors. theta energy: -117.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1334.184814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.184814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.184814 (E_RNA) where: Base-Base interactions energy: -919.307 where: short stacking energy: -403.965 Base-Backbone interact. energy: -1.264 local terms energy: -413.613649 where: bonds (distance) C4'-P energy: -86.578 bonds (distance) P-C4' energy: -75.916 flat angles C4'-P-C4' energy: -89.763 flat angles P-C4'-P energy: -50.655 tors. eta vs tors. theta energy: -110.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1350.845105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.845105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.845105 (E_RNA) where: Base-Base interactions energy: -940.735 where: short stacking energy: -378.777 Base-Backbone interact. energy: -0.140 local terms energy: -409.969966 where: bonds (distance) C4'-P energy: -68.440 bonds (distance) P-C4' energy: -87.369 flat angles C4'-P-C4' energy: -82.398 flat angles P-C4'-P energy: -61.595 tors. eta vs tors. theta energy: -110.167 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: 373 Temperature: 1.150000 Total energy: -1203.953975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.953975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.953975 (E_RNA) where: Base-Base interactions energy: -840.290 where: short stacking energy: -344.921 Base-Backbone interact. energy: 0.014 local terms energy: -363.677858 where: bonds (distance) C4'-P energy: -62.184 bonds (distance) P-C4' energy: -68.316 flat angles C4'-P-C4' energy: -83.735 flat angles P-C4'-P energy: -57.598 tors. eta vs tors. theta energy: -91.845 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: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1033.918470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.918470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.918470 (E_RNA) where: Base-Base interactions energy: -677.933 where: short stacking energy: -306.494 Base-Backbone interact. energy: 0.247 local terms energy: -356.231907 where: bonds (distance) C4'-P energy: -76.475 bonds (distance) P-C4' energy: -79.883 flat angles C4'-P-C4' energy: -81.606 flat angles P-C4'-P energy: -45.561 tors. eta vs tors. theta energy: -72.707 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: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -880.613060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.613060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.613060 (E_RNA) where: Base-Base interactions energy: -564.465 where: short stacking energy: -257.227 Base-Backbone interact. energy: 0.153 local terms energy: -316.301749 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -59.880 flat angles C4'-P-C4' energy: -82.315 flat angles P-C4'-P energy: -44.376 tors. eta vs tors. theta energy: -58.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -817.051827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.051827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.051827 (E_RNA) where: Base-Base interactions energy: -540.414 where: short stacking energy: -232.164 Base-Backbone interact. energy: -1.222 local terms energy: -275.415446 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -75.451 flat angles C4'-P-C4' energy: -62.814 flat angles P-C4'-P energy: -33.424 tors. eta vs tors. theta energy: -41.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -610.696134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.696134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.696134 (E_RNA) where: Base-Base interactions energy: -353.929 where: short stacking energy: -162.420 Base-Backbone interact. energy: -0.769 local terms energy: -255.997655 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -64.958 flat angles P-C4'-P energy: -35.839 tors. eta vs tors. theta energy: -9.569 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: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1539.314963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.314963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.314963 (E_RNA) where: Base-Base interactions energy: -1096.307 where: short stacking energy: -424.610 Base-Backbone interact. energy: 0.211 local terms energy: -443.219261 where: bonds (distance) C4'-P energy: -80.556 bonds (distance) P-C4' energy: -90.314 flat angles C4'-P-C4' energy: -97.023 flat angles P-C4'-P energy: -65.680 tors. eta vs tors. theta energy: -109.645 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: 7 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1472.641462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.641462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.641462 (E_RNA) where: Base-Base interactions energy: -1023.176 where: short stacking energy: -388.957 Base-Backbone interact. energy: -0.725 local terms energy: -448.739750 where: bonds (distance) C4'-P energy: -78.813 bonds (distance) P-C4' energy: -87.379 flat angles C4'-P-C4' energy: -101.279 flat angles P-C4'-P energy: -63.181 tors. eta vs tors. theta energy: -118.088 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: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1407.850682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.850682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.850682 (E_RNA) where: Base-Base interactions energy: -979.446 where: short stacking energy: -407.808 Base-Backbone interact. energy: -3.087 local terms energy: -425.317756 where: bonds (distance) C4'-P energy: -72.817 bonds (distance) P-C4' energy: -83.802 flat angles C4'-P-C4' energy: -94.336 flat angles P-C4'-P energy: -58.182 tors. eta vs tors. theta energy: -116.181 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: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1375.030993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.030993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.030993 (E_RNA) where: Base-Base interactions energy: -957.987 where: short stacking energy: -422.482 Base-Backbone interact. energy: -0.903 local terms energy: -416.141792 where: bonds (distance) C4'-P energy: -73.650 bonds (distance) P-C4' energy: -68.602 flat angles C4'-P-C4' energy: -88.604 flat angles P-C4'-P energy: -68.018 tors. eta vs tors. theta energy: -117.268 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: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1327.025332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.025332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.025332 (E_RNA) where: Base-Base interactions energy: -928.567 where: short stacking energy: -386.788 Base-Backbone interact. energy: -2.709 local terms energy: -395.749590 where: bonds (distance) C4'-P energy: -73.799 bonds (distance) P-C4' energy: -75.632 flat angles C4'-P-C4' energy: -77.433 flat angles P-C4'-P energy: -64.420 tors. eta vs tors. theta energy: -104.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1258.213567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.213567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.213567 (E_RNA) where: Base-Base interactions energy: -862.689 where: short stacking energy: -361.032 Base-Backbone interact. energy: -3.263 local terms energy: -392.261335 where: bonds (distance) C4'-P energy: -75.447 bonds (distance) P-C4' energy: -75.500 flat angles C4'-P-C4' energy: -86.229 flat angles P-C4'-P energy: -62.908 tors. eta vs tors. theta energy: -92.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1117.781430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.781430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.781430 (E_RNA) where: Base-Base interactions energy: -755.063 where: short stacking energy: -334.582 Base-Backbone interact. energy: -0.778 local terms energy: -361.939884 where: bonds (distance) C4'-P energy: -72.096 bonds (distance) P-C4' energy: -77.059 flat angles C4'-P-C4' energy: -74.993 flat angles P-C4'-P energy: -45.263 tors. eta vs tors. theta energy: -92.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -843.534581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.534581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.534581 (E_RNA) where: Base-Base interactions energy: -546.175 where: short stacking energy: -220.717 Base-Backbone interact. energy: -0.524 local terms energy: -296.835706 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -76.518 flat angles C4'-P-C4' energy: -56.604 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: -46.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -814.451506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.451506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.451506 (E_RNA) where: Base-Base interactions energy: -538.128 where: short stacking energy: -237.781 Base-Backbone interact. energy: -0.734 local terms energy: -275.589511 where: bonds (distance) C4'-P energy: -54.051 bonds (distance) P-C4' energy: -71.591 flat angles C4'-P-C4' energy: -70.304 flat angles P-C4'-P energy: -38.844 tors. eta vs tors. theta energy: -40.800 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: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -583.719106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.719106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.719106 (E_RNA) where: Base-Base interactions energy: -311.689 where: short stacking energy: -152.270 Base-Backbone interact. energy: 6.174 local terms energy: -278.204790 where: bonds (distance) C4'-P energy: -79.959 bonds (distance) P-C4' energy: -77.795 flat angles C4'-P-C4' energy: -66.982 flat angles P-C4'-P energy: -45.147 tors. eta vs tors. theta energy: -8.321 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: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1534.864870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.864870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.864870 (E_RNA) where: Base-Base interactions energy: -1114.463 where: short stacking energy: -451.106 Base-Backbone interact. energy: -1.577 local terms energy: -418.824653 where: bonds (distance) C4'-P energy: -87.183 bonds (distance) P-C4' energy: -73.361 flat angles C4'-P-C4' energy: -78.773 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -119.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1443.055481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.055481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.055481 (E_RNA) where: Base-Base interactions energy: -992.774 where: short stacking energy: -418.624 Base-Backbone interact. energy: -0.737 local terms energy: -449.544558 where: bonds (distance) C4'-P energy: -83.675 bonds (distance) P-C4' energy: -90.005 flat angles C4'-P-C4' energy: -91.496 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: -124.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1430.916345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.916345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.916345 (E_RNA) where: Base-Base interactions energy: -1009.397 where: short stacking energy: -398.468 Base-Backbone interact. energy: -0.565 local terms energy: -420.954715 where: bonds (distance) C4'-P energy: -88.381 bonds (distance) P-C4' energy: -77.227 flat angles C4'-P-C4' energy: -85.144 flat angles P-C4'-P energy: -58.373 tors. eta vs tors. theta energy: -111.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1371.683665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.683665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.683665 (E_RNA) where: Base-Base interactions energy: -945.756 where: short stacking energy: -412.519 Base-Backbone interact. energy: -2.348 local terms energy: -423.580371 where: bonds (distance) C4'-P energy: -75.207 bonds (distance) P-C4' energy: -85.585 flat angles C4'-P-C4' energy: -92.823 flat angles P-C4'-P energy: -47.290 tors. eta vs tors. theta energy: -122.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1294.591067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.591067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.591067 (E_RNA) where: Base-Base interactions energy: -893.945 where: short stacking energy: -382.768 Base-Backbone interact. energy: 3.410 local terms energy: -404.095233 where: bonds (distance) C4'-P energy: -70.138 bonds (distance) P-C4' energy: -79.119 flat angles C4'-P-C4' energy: -83.689 flat angles P-C4'-P energy: -65.263 tors. eta vs tors. theta energy: -105.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.040 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1223.843896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.843896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.843896 (E_RNA) where: Base-Base interactions energy: -818.371 where: short stacking energy: -340.397 Base-Backbone interact. energy: -1.486 local terms energy: -403.986172 where: bonds (distance) C4'-P energy: -80.744 bonds (distance) P-C4' energy: -80.325 flat angles C4'-P-C4' energy: -89.348 flat angles P-C4'-P energy: -59.242 tors. eta vs tors. theta energy: -94.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1089.107639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.107639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.107639 (E_RNA) where: Base-Base interactions energy: -704.420 where: short stacking energy: -329.230 Base-Backbone interact. energy: 6.837 local terms energy: -391.524574 where: bonds (distance) C4'-P energy: -83.777 bonds (distance) P-C4' energy: -79.361 flat angles C4'-P-C4' energy: -86.960 flat angles P-C4'-P energy: -52.856 tors. eta vs tors. theta energy: -88.571 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: 375 Temperature: 1.250000 Total energy: -900.268896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.268896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.268896 (E_RNA) where: Base-Base interactions energy: -579.670 where: short stacking energy: -263.395 Base-Backbone interact. energy: 1.331 local terms energy: -321.929763 where: bonds (distance) C4'-P energy: -68.995 bonds (distance) P-C4' energy: -75.929 flat angles C4'-P-C4' energy: -78.410 flat angles P-C4'-P energy: -40.926 tors. eta vs tors. theta energy: -57.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -818.957637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.957637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.957637 (E_RNA) where: Base-Base interactions energy: -504.030 where: short stacking energy: -223.903 Base-Backbone interact. energy: -1.400 local terms energy: -313.527407 where: bonds (distance) C4'-P energy: -66.675 bonds (distance) P-C4' energy: -80.143 flat angles C4'-P-C4' energy: -73.593 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -43.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -505.736359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.736359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.736359 (E_RNA) where: Base-Base interactions energy: -263.157 where: short stacking energy: -133.389 Base-Backbone interact. energy: -0.689 local terms energy: -241.890286 where: bonds (distance) C4'-P energy: -64.716 bonds (distance) P-C4' energy: -83.595 flat angles C4'-P-C4' energy: -52.136 flat angles P-C4'-P energy: -41.529 tors. eta vs tors. theta energy: 0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1536.254620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.254620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.254620 (E_RNA) where: Base-Base interactions energy: -1082.304 where: short stacking energy: -450.789 Base-Backbone interact. energy: -1.165 local terms energy: -452.785749 where: bonds (distance) C4'-P energy: -75.905 bonds (distance) P-C4' energy: -89.156 flat angles C4'-P-C4' energy: -97.514 flat angles P-C4'-P energy: -64.796 tors. eta vs tors. theta energy: -125.414 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: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1483.028461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.028461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.028461 (E_RNA) where: Base-Base interactions energy: -1014.007 where: short stacking energy: -448.515 Base-Backbone interact. energy: -2.511 local terms energy: -466.510857 where: bonds (distance) C4'-P energy: -85.432 bonds (distance) P-C4' energy: -84.903 flat angles C4'-P-C4' energy: -101.695 flat angles P-C4'-P energy: -64.925 tors. eta vs tors. theta energy: -129.556 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: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1452.734730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.734730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.734730 (E_RNA) where: Base-Base interactions energy: -1038.990 where: short stacking energy: -414.603 Base-Backbone interact. energy: -0.889 local terms energy: -412.855705 where: bonds (distance) C4'-P energy: -68.176 bonds (distance) P-C4' energy: -84.971 flat angles C4'-P-C4' energy: -93.948 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -112.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1379.654888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.654888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.654888 (E_RNA) where: Base-Base interactions energy: -961.565 where: short stacking energy: -412.248 Base-Backbone interact. energy: -1.073 local terms energy: -417.017342 where: bonds (distance) C4'-P energy: -75.827 bonds (distance) P-C4' energy: -79.381 flat angles C4'-P-C4' energy: -92.885 flat angles P-C4'-P energy: -52.391 tors. eta vs tors. theta energy: -116.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1313.018418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.018418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.018418 (E_RNA) where: Base-Base interactions energy: -905.663 where: short stacking energy: -383.722 Base-Backbone interact. energy: 3.864 local terms energy: -411.822575 where: bonds (distance) C4'-P energy: -75.528 bonds (distance) P-C4' energy: -83.755 flat angles C4'-P-C4' energy: -85.499 flat angles P-C4'-P energy: -53.986 tors. eta vs tors. theta energy: -113.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.603 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1218.920525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.920525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.920525 (E_RNA) where: Base-Base interactions energy: -860.974 where: short stacking energy: -359.364 Base-Backbone interact. energy: -1.863 local terms energy: -356.082798 where: bonds (distance) C4'-P energy: -56.966 bonds (distance) P-C4' energy: -75.809 flat angles C4'-P-C4' energy: -83.802 flat angles P-C4'-P energy: -53.034 tors. eta vs tors. theta energy: -86.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1083.463835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.463835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.463835 (E_RNA) where: Base-Base interactions energy: -727.244 where: short stacking energy: -322.140 Base-Backbone interact. energy: 0.503 local terms energy: -356.723504 where: bonds (distance) C4'-P energy: -59.056 bonds (distance) P-C4' energy: -73.117 flat angles C4'-P-C4' energy: -79.873 flat angles P-C4'-P energy: -62.312 tors. eta vs tors. theta energy: -82.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -832.088367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.088367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.088367 (E_RNA) where: Base-Base interactions energy: -534.102 where: short stacking energy: -242.709 Base-Backbone interact. energy: -0.862 local terms energy: -297.124231 where: bonds (distance) C4'-P energy: -71.187 bonds (distance) P-C4' energy: -65.176 flat angles C4'-P-C4' energy: -66.255 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -53.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -798.218775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.218775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.218775 (E_RNA) where: Base-Base interactions energy: -510.947 where: short stacking energy: -213.546 Base-Backbone interact. energy: 2.372 local terms energy: -289.643867 where: bonds (distance) C4'-P energy: -58.602 bonds (distance) P-C4' energy: -81.697 flat angles C4'-P-C4' energy: -58.053 flat angles P-C4'-P energy: -52.423 tors. eta vs tors. theta energy: -38.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -524.821394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.821394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.821394 (E_RNA) where: Base-Base interactions energy: -302.409 where: short stacking energy: -160.916 Base-Backbone interact. energy: 4.061 local terms energy: -226.473257 where: bonds (distance) C4'-P energy: -77.833 bonds (distance) P-C4' energy: -58.991 flat angles C4'-P-C4' energy: -55.605 flat angles P-C4'-P energy: -37.907 tors. eta vs tors. theta energy: 3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1542.166111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.166111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.166111 (E_RNA) where: Base-Base interactions energy: -1085.669 where: short stacking energy: -432.590 Base-Backbone interact. energy: -4.780 local terms energy: -451.717331 where: bonds (distance) C4'-P energy: -82.029 bonds (distance) P-C4' energy: -86.447 flat angles C4'-P-C4' energy: -102.897 flat angles P-C4'-P energy: -60.389 tors. eta vs tors. theta energy: -119.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1475.204069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.204069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.204069 (E_RNA) where: Base-Base interactions energy: -1045.028 where: short stacking energy: -445.492 Base-Backbone interact. energy: 0.237 local terms energy: -432.714631 where: bonds (distance) C4'-P energy: -72.928 bonds (distance) P-C4' energy: -82.323 flat angles C4'-P-C4' energy: -91.748 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: -124.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 2.301 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1427.200605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.200605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.200605 (E_RNA) where: Base-Base interactions energy: -1002.057 where: short stacking energy: -396.924 Base-Backbone interact. energy: -0.977 local terms energy: -424.166125 where: bonds (distance) C4'-P energy: -84.662 bonds (distance) P-C4' energy: -84.310 flat angles C4'-P-C4' energy: -95.521 flat angles P-C4'-P energy: -57.114 tors. eta vs tors. theta energy: -102.560 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: 4, replica: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1364.503678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.503678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.503678 (E_RNA) where: Base-Base interactions energy: -946.537 where: short stacking energy: -415.308 Base-Backbone interact. energy: -1.829 local terms energy: -416.137857 where: bonds (distance) C4'-P energy: -79.260 bonds (distance) P-C4' energy: -88.231 flat angles C4'-P-C4' energy: -85.186 flat angles P-C4'-P energy: -45.556 tors. eta vs tors. theta energy: -117.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1296.781131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.781131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.781131 (E_RNA) where: Base-Base interactions energy: -905.507 where: short stacking energy: -392.123 Base-Backbone interact. energy: 1.355 local terms energy: -392.628635 where: bonds (distance) C4'-P energy: -81.399 bonds (distance) P-C4' energy: -76.209 flat angles C4'-P-C4' energy: -75.208 flat angles P-C4'-P energy: -54.833 tors. eta vs tors. theta energy: -104.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1225.993318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.993318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.993318 (E_RNA) where: Base-Base interactions energy: -852.012 where: short stacking energy: -357.529 Base-Backbone interact. energy: 2.414 local terms energy: -376.395479 where: bonds (distance) C4'-P energy: -70.269 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -78.623 flat angles P-C4'-P energy: -55.001 tors. eta vs tors. theta energy: -94.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1075.392745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.392745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.392745 (E_RNA) where: Base-Base interactions energy: -715.875 where: short stacking energy: -340.816 Base-Backbone interact. energy: -1.173 local terms energy: -358.345322 where: bonds (distance) C4'-P energy: -62.839 bonds (distance) P-C4' energy: -84.885 flat angles C4'-P-C4' energy: -74.943 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: -75.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -866.427904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.427904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.427904 (E_RNA) where: Base-Base interactions energy: -546.398 where: short stacking energy: -252.768 Base-Backbone interact. energy: -3.383 local terms energy: -316.646958 where: bonds (distance) C4'-P energy: -72.329 bonds (distance) P-C4' energy: -63.109 flat angles C4'-P-C4' energy: -88.175 flat angles P-C4'-P energy: -44.310 tors. eta vs tors. theta energy: -48.724 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: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -777.002163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.002163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.002163 (E_RNA) where: Base-Base interactions energy: -506.604 where: short stacking energy: -252.048 Base-Backbone interact. energy: -1.450 local terms energy: -268.948467 where: bonds (distance) C4'-P energy: -62.718 bonds (distance) P-C4' energy: -64.259 flat angles C4'-P-C4' energy: -59.445 flat angles P-C4'-P energy: -35.659 tors. eta vs tors. theta energy: -46.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -593.616030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.616030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.616030 (E_RNA) where: Base-Base interactions energy: -366.329 where: short stacking energy: -189.642 Base-Backbone interact. energy: -2.950 local terms energy: -224.337233 where: bonds (distance) C4'-P energy: -62.612 bonds (distance) P-C4' energy: -61.159 flat angles C4'-P-C4' energy: -59.768 flat angles P-C4'-P energy: -29.052 tors. eta vs tors. theta energy: -11.747 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: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1529.718672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.718672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.718672 (E_RNA) where: Base-Base interactions energy: -1104.225 where: short stacking energy: -439.541 Base-Backbone interact. energy: -2.290 local terms energy: -423.203205 where: bonds (distance) C4'-P energy: -77.815 bonds (distance) P-C4' energy: -76.499 flat angles C4'-P-C4' energy: -86.595 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: -122.490 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: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1452.203867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.203867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.203867 (E_RNA) where: Base-Base interactions energy: -1007.033 where: short stacking energy: -437.525 Base-Backbone interact. energy: 0.274 local terms energy: -445.444941 where: bonds (distance) C4'-P energy: -72.415 bonds (distance) P-C4' energy: -90.963 flat angles C4'-P-C4' energy: -91.707 flat angles P-C4'-P energy: -71.101 tors. eta vs tors. theta energy: -119.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1452.256415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.256415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.256415 (E_RNA) where: Base-Base interactions energy: -1013.275 where: short stacking energy: -400.646 Base-Backbone interact. energy: -1.672 local terms energy: -437.309000 where: bonds (distance) C4'-P energy: -84.694 bonds (distance) P-C4' energy: -90.407 flat angles C4'-P-C4' energy: -84.672 flat angles P-C4'-P energy: -59.856 tors. eta vs tors. theta energy: -117.679 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: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1357.326891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.326891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.326891 (E_RNA) where: Base-Base interactions energy: -937.145 where: short stacking energy: -413.740 Base-Backbone interact. energy: -2.255 local terms energy: -417.926867 where: bonds (distance) C4'-P energy: -75.696 bonds (distance) P-C4' energy: -71.978 flat angles C4'-P-C4' energy: -95.581 flat angles P-C4'-P energy: -58.647 tors. eta vs tors. theta energy: -116.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1299.812848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.812848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.812848 (E_RNA) where: Base-Base interactions energy: -890.136 where: short stacking energy: -354.857 Base-Backbone interact. energy: -0.538 local terms energy: -409.138724 where: bonds (distance) C4'-P energy: -80.320 bonds (distance) P-C4' energy: -72.711 flat angles C4'-P-C4' energy: -92.010 flat angles P-C4'-P energy: -60.215 tors. eta vs tors. theta energy: -103.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1272.989784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.989784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.989784 (E_RNA) where: Base-Base interactions energy: -886.161 where: short stacking energy: -367.866 Base-Backbone interact. energy: 2.927 local terms energy: -389.756384 where: bonds (distance) C4'-P energy: -76.544 bonds (distance) P-C4' energy: -83.730 flat angles C4'-P-C4' energy: -80.966 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -96.800 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: 378 Temperature: 1.200000 Total energy: -881.642566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.642566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.642566 (E_RNA) where: Base-Base interactions energy: -575.150 where: short stacking energy: -282.461 Base-Backbone interact. energy: -0.598 local terms energy: -305.894303 where: bonds (distance) C4'-P energy: -66.491 bonds (distance) P-C4' energy: -72.580 flat angles C4'-P-C4' energy: -70.186 flat angles P-C4'-P energy: -45.331 tors. eta vs tors. theta energy: -51.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1022.523788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.523788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.523788 (E_RNA) where: Base-Base interactions energy: -693.336 where: short stacking energy: -301.359 Base-Backbone interact. energy: 1.525 local terms energy: -330.712492 where: bonds (distance) C4'-P energy: -64.320 bonds (distance) P-C4' energy: -78.272 flat angles C4'-P-C4' energy: -79.026 flat angles P-C4'-P energy: -38.858 tors. eta vs tors. theta energy: -70.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -749.050468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.050468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.050468 (E_RNA) where: Base-Base interactions energy: -469.238 where: short stacking energy: -213.205 Base-Backbone interact. energy: -1.037 local terms energy: -278.775270 where: bonds (distance) C4'-P energy: -54.392 bonds (distance) P-C4' energy: -69.197 flat angles C4'-P-C4' energy: -72.543 flat angles P-C4'-P energy: -45.925 tors. eta vs tors. theta energy: -36.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -599.283838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.283838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.283838 (E_RNA) where: Base-Base interactions energy: -379.020 where: short stacking energy: -183.954 Base-Backbone interact. energy: 3.221 local terms energy: -223.485017 where: bonds (distance) C4'-P energy: -61.331 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -54.812 flat angles P-C4'-P energy: -35.548 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1537.205718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.205718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.205718 (E_RNA) where: Base-Base interactions energy: -1104.726 where: short stacking energy: -436.517 Base-Backbone interact. energy: -2.804 local terms energy: -429.676358 where: bonds (distance) C4'-P energy: -80.710 bonds (distance) P-C4' energy: -79.193 flat angles C4'-P-C4' energy: -87.773 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -115.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1500.722513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.722513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.722513 (E_RNA) where: Base-Base interactions energy: -1063.069 where: short stacking energy: -417.005 Base-Backbone interact. energy: -0.831 local terms energy: -436.822761 where: bonds (distance) C4'-P energy: -88.607 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -90.559 flat angles P-C4'-P energy: -58.879 tors. eta vs tors. theta energy: -116.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1448.753618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.753618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.753618 (E_RNA) where: Base-Base interactions energy: -994.022 where: short stacking energy: -421.799 Base-Backbone interact. energy: -0.906 local terms energy: -453.825854 where: bonds (distance) C4'-P energy: -82.858 bonds (distance) P-C4' energy: -91.203 flat angles C4'-P-C4' energy: -88.930 flat angles P-C4'-P energy: -69.600 tors. eta vs tors. theta energy: -121.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1358.834547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.834547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.834547 (E_RNA) where: Base-Base interactions energy: -936.191 where: short stacking energy: -400.664 Base-Backbone interact. energy: -3.946 local terms energy: -418.697542 where: bonds (distance) C4'-P energy: -77.857 bonds (distance) P-C4' energy: -79.563 flat angles C4'-P-C4' energy: -90.164 flat angles P-C4'-P energy: -67.361 tors. eta vs tors. theta energy: -103.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1271.440238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.440238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.440238 (E_RNA) where: Base-Base interactions energy: -881.561 where: short stacking energy: -371.200 Base-Backbone interact. energy: 1.247 local terms energy: -391.126378 where: bonds (distance) C4'-P energy: -73.780 bonds (distance) P-C4' energy: -75.305 flat angles C4'-P-C4' energy: -90.539 flat angles P-C4'-P energy: -59.585 tors. eta vs tors. theta energy: -91.916 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: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1229.774128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.774128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.774128 (E_RNA) where: Base-Base interactions energy: -849.136 where: short stacking energy: -339.981 Base-Backbone interact. energy: -0.979 local terms energy: -379.658570 where: bonds (distance) C4'-P energy: -76.835 bonds (distance) P-C4' energy: -78.786 flat angles C4'-P-C4' energy: -82.667 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -95.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -876.070886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.070886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.070886 (E_RNA) where: Base-Base interactions energy: -572.040 where: short stacking energy: -243.127 Base-Backbone interact. energy: -0.625 local terms energy: -303.406661 where: bonds (distance) C4'-P energy: -63.453 bonds (distance) P-C4' energy: -65.416 flat angles C4'-P-C4' energy: -77.676 flat angles P-C4'-P energy: -53.775 tors. eta vs tors. theta energy: -43.086 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: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1029.654656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.654656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.654656 (E_RNA) where: Base-Base interactions energy: -704.140 where: short stacking energy: -302.603 Base-Backbone interact. energy: -1.726 local terms energy: -323.788296 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -70.729 flat angles C4'-P-C4' energy: -82.601 flat angles P-C4'-P energy: -35.612 tors. eta vs tors. theta energy: -73.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -741.152856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.152856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.152856 (E_RNA) where: Base-Base interactions energy: -471.269 where: short stacking energy: -211.596 Base-Backbone interact. energy: 6.952 local terms energy: -276.835961 where: bonds (distance) C4'-P energy: -69.614 bonds (distance) P-C4' energy: -81.355 flat angles C4'-P-C4' energy: -65.184 flat angles P-C4'-P energy: -29.716 tors. eta vs tors. theta energy: -30.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -536.875555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.875555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.875555 (E_RNA) where: Base-Base interactions energy: -295.909 where: short stacking energy: -130.813 Base-Backbone interact. energy: 0.168 local terms energy: -241.135290 where: bonds (distance) C4'-P energy: -70.804 bonds (distance) P-C4' energy: -62.984 flat angles C4'-P-C4' energy: -73.185 flat angles P-C4'-P energy: -45.433 tors. eta vs tors. theta energy: 11.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1517.218069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.218069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.218069 (E_RNA) where: Base-Base interactions energy: -1067.639 where: short stacking energy: -432.466 Base-Backbone interact. energy: -0.976 local terms energy: -448.603145 where: bonds (distance) C4'-P energy: -85.997 bonds (distance) P-C4' energy: -91.769 flat angles C4'-P-C4' energy: -95.159 flat angles P-C4'-P energy: -56.972 tors. eta vs tors. theta energy: -118.706 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: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1517.234872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.234872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.234872 (E_RNA) where: Base-Base interactions energy: -1079.598 where: short stacking energy: -429.886 Base-Backbone interact. energy: 1.829 local terms energy: -439.465503 where: bonds (distance) C4'-P energy: -84.008 bonds (distance) P-C4' energy: -82.155 flat angles C4'-P-C4' energy: -94.972 flat angles P-C4'-P energy: -60.511 tors. eta vs tors. theta energy: -117.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1425.855263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.855263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.855263 (E_RNA) where: Base-Base interactions energy: -986.006 where: short stacking energy: -414.067 Base-Backbone interact. energy: 0.375 local terms energy: -440.224578 where: bonds (distance) C4'-P energy: -80.269 bonds (distance) P-C4' energy: -91.286 flat angles C4'-P-C4' energy: -92.510 flat angles P-C4'-P energy: -55.084 tors. eta vs tors. theta energy: -121.076 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: 4, replica: 3 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1358.921126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.921126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.921126 (E_RNA) where: Base-Base interactions energy: -940.610 where: short stacking energy: -395.884 Base-Backbone interact. energy: -2.385 local terms energy: -415.926350 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -84.161 flat angles C4'-P-C4' energy: -85.339 flat angles P-C4'-P energy: -64.007 tors. eta vs tors. theta energy: -111.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1323.608477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.608477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.608477 (E_RNA) where: Base-Base interactions energy: -908.547 where: short stacking energy: -384.488 Base-Backbone interact. energy: -0.710 local terms energy: -414.351629 where: bonds (distance) C4'-P energy: -82.212 bonds (distance) P-C4' energy: -82.574 flat angles C4'-P-C4' energy: -85.077 flat angles P-C4'-P energy: -65.756 tors. eta vs tors. theta energy: -98.732 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: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1269.294990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.294990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.294990 (E_RNA) where: Base-Base interactions energy: -886.774 where: short stacking energy: -376.942 Base-Backbone interact. energy: 0.287 local terms energy: -382.808388 where: bonds (distance) C4'-P energy: -70.013 bonds (distance) P-C4' energy: -68.062 flat angles C4'-P-C4' energy: -82.736 flat angles P-C4'-P energy: -55.298 tors. eta vs tors. theta energy: -106.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1044.750263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.750263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.750263 (E_RNA) where: Base-Base interactions energy: -694.197 where: short stacking energy: -332.694 Base-Backbone interact. energy: -2.577 local terms energy: -347.976112 where: bonds (distance) C4'-P energy: -66.253 bonds (distance) P-C4' energy: -76.194 flat angles C4'-P-C4' energy: -76.979 flat angles P-C4'-P energy: -46.649 tors. eta vs tors. theta energy: -81.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -850.457397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.457397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.457397 (E_RNA) where: Base-Base interactions energy: -559.183 where: short stacking energy: -244.774 Base-Backbone interact. energy: -0.816 local terms energy: -290.457723 where: bonds (distance) C4'-P energy: -64.110 bonds (distance) P-C4' energy: -60.053 flat angles C4'-P-C4' energy: -84.121 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: -36.911 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: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -774.403502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.403502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.403502 (E_RNA) where: Base-Base interactions energy: -475.156 where: short stacking energy: -213.170 Base-Backbone interact. energy: -0.788 local terms energy: -298.459993 where: bonds (distance) C4'-P energy: -62.532 bonds (distance) P-C4' energy: -82.109 flat angles C4'-P-C4' energy: -73.793 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -32.958 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: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -592.892122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.892122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.892122 (E_RNA) where: Base-Base interactions energy: -351.921 where: short stacking energy: -157.923 Base-Backbone interact. energy: -0.079 local terms energy: -240.891845 where: bonds (distance) C4'-P energy: -60.682 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -62.746 flat angles P-C4'-P energy: -39.316 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: 7 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1511.812789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.812789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.812789 (E_RNA) where: Base-Base interactions energy: -1085.429 where: short stacking energy: -422.741 Base-Backbone interact. energy: -1.755 local terms energy: -424.628261 where: bonds (distance) C4'-P energy: -86.885 bonds (distance) P-C4' energy: -76.127 flat angles C4'-P-C4' energy: -84.472 flat angles P-C4'-P energy: -57.859 tors. eta vs tors. theta energy: -119.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1500.121671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.121671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.121671 (E_RNA) where: Base-Base interactions energy: -1064.150 where: short stacking energy: -435.831 Base-Backbone interact. energy: 2.466 local terms energy: -438.438547 where: bonds (distance) C4'-P energy: -71.091 bonds (distance) P-C4' energy: -87.701 flat angles C4'-P-C4' energy: -100.553 flat angles P-C4'-P energy: -59.101 tors. eta vs tors. theta energy: -119.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1397.774278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.774278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.774278 (E_RNA) where: Base-Base interactions energy: -977.684 where: short stacking energy: -422.694 Base-Backbone interact. energy: -0.738 local terms energy: -419.352420 where: bonds (distance) C4'-P energy: -85.870 bonds (distance) P-C4' energy: -85.305 flat angles C4'-P-C4' energy: -86.359 flat angles P-C4'-P energy: -46.860 tors. eta vs tors. theta energy: -114.958 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: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1344.749317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.749317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.749317 (E_RNA) where: Base-Base interactions energy: -931.333 where: short stacking energy: -399.741 Base-Backbone interact. energy: -1.026 local terms energy: -412.389585 where: bonds (distance) C4'-P energy: -82.376 bonds (distance) P-C4' energy: -75.705 flat angles C4'-P-C4' energy: -84.900 flat angles P-C4'-P energy: -59.872 tors. eta vs tors. theta energy: -109.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1250.743104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.743104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.743104 (E_RNA) where: Base-Base interactions energy: -856.113 where: short stacking energy: -368.302 Base-Backbone interact. energy: -0.880 local terms energy: -393.750432 where: bonds (distance) C4'-P energy: -82.329 bonds (distance) P-C4' energy: -85.869 flat angles C4'-P-C4' energy: -90.338 flat angles P-C4'-P energy: -36.741 tors. eta vs tors. theta energy: -98.474 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: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1251.126607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.126607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.126607 (E_RNA) where: Base-Base interactions energy: -851.620 where: short stacking energy: -374.535 Base-Backbone interact. energy: -1.940 local terms energy: -397.567259 where: bonds (distance) C4'-P energy: -74.174 bonds (distance) P-C4' energy: -74.757 flat angles C4'-P-C4' energy: -84.605 flat angles P-C4'-P energy: -54.623 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: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1029.035355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.035355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.035355 (E_RNA) where: Base-Base interactions energy: -691.221 where: short stacking energy: -317.725 Base-Backbone interact. energy: 0.404 local terms energy: -338.217600 where: bonds (distance) C4'-P energy: -62.308 bonds (distance) P-C4' energy: -67.195 flat angles C4'-P-C4' energy: -78.519 flat angles P-C4'-P energy: -65.463 tors. eta vs tors. theta energy: -64.732 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: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -881.068785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.068785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.068785 (E_RNA) where: Base-Base interactions energy: -546.360 where: short stacking energy: -257.800 Base-Backbone interact. energy: -0.310 local terms energy: -334.398889 where: bonds (distance) C4'-P energy: -82.706 bonds (distance) P-C4' energy: -86.705 flat angles C4'-P-C4' energy: -68.338 flat angles P-C4'-P energy: -35.431 tors. eta vs tors. theta energy: -61.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -755.968456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.968456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.968456 (E_RNA) where: Base-Base interactions energy: -460.631 where: short stacking energy: -208.858 Base-Backbone interact. energy: -3.354 local terms energy: -291.983967 where: bonds (distance) C4'-P energy: -72.321 bonds (distance) P-C4' energy: -74.117 flat angles C4'-P-C4' energy: -65.862 flat angles P-C4'-P energy: -53.017 tors. eta vs tors. theta energy: -26.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -617.286508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.286508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.286508 (E_RNA) where: Base-Base interactions energy: -379.599 where: short stacking energy: -178.731 Base-Backbone interact. energy: 0.867 local terms energy: -238.554798 where: bonds (distance) C4'-P energy: -68.371 bonds (distance) P-C4' energy: -49.477 flat angles C4'-P-C4' energy: -68.913 flat angles P-C4'-P energy: -41.422 tors. eta vs tors. theta energy: -10.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1508.842055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.842055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.842055 (E_RNA) where: Base-Base interactions energy: -1073.430 where: short stacking energy: -435.663 Base-Backbone interact. energy: -3.253 local terms energy: -432.158788 where: bonds (distance) C4'-P energy: -88.320 bonds (distance) P-C4' energy: -82.340 flat angles C4'-P-C4' energy: -86.548 flat angles P-C4'-P energy: -61.980 tors. eta vs tors. theta energy: -112.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1486.887328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.887328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.887328 (E_RNA) where: Base-Base interactions energy: -1064.800 where: short stacking energy: -407.759 Base-Backbone interact. energy: 1.482 local terms energy: -423.569768 where: bonds (distance) C4'-P energy: -74.307 bonds (distance) P-C4' energy: -78.219 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -62.671 tors. eta vs tors. theta energy: -116.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1406.318435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.318435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.318435 (E_RNA) where: Base-Base interactions energy: -973.981 where: short stacking energy: -417.671 Base-Backbone interact. energy: -1.433 local terms energy: -430.904323 where: bonds (distance) C4'-P energy: -87.104 bonds (distance) P-C4' energy: -80.361 flat angles C4'-P-C4' energy: -85.325 flat angles P-C4'-P energy: -56.020 tors. eta vs tors. theta energy: -122.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1357.241164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.241164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.241164 (E_RNA) where: Base-Base interactions energy: -953.598 where: short stacking energy: -412.040 Base-Backbone interact. energy: 2.455 local terms energy: -406.098357 where: bonds (distance) C4'-P energy: -74.176 bonds (distance) P-C4' energy: -71.984 flat angles C4'-P-C4' energy: -94.958 flat angles P-C4'-P energy: -56.160 tors. eta vs tors. theta energy: -108.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1265.154983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.154983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.154983 (E_RNA) where: Base-Base interactions energy: -859.718 where: short stacking energy: -361.746 Base-Backbone interact. energy: -2.881 local terms energy: -402.555701 where: bonds (distance) C4'-P energy: -71.585 bonds (distance) P-C4' energy: -75.979 flat angles C4'-P-C4' energy: -88.964 flat angles P-C4'-P energy: -65.392 tors. eta vs tors. theta energy: -100.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1281.108972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.108972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.108972 (E_RNA) where: Base-Base interactions energy: -894.130 where: short stacking energy: -401.084 Base-Backbone interact. energy: 0.075 local terms energy: -387.552572 where: bonds (distance) C4'-P energy: -66.196 bonds (distance) P-C4' energy: -68.173 flat angles C4'-P-C4' energy: -87.167 flat angles P-C4'-P energy: -53.117 tors. eta vs tors. theta energy: -112.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.498 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1094.875523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.875523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.875523 (E_RNA) where: Base-Base interactions energy: -726.762 where: short stacking energy: -330.788 Base-Backbone interact. energy: 3.097 local terms energy: -371.211094 where: bonds (distance) C4'-P energy: -60.284 bonds (distance) P-C4' energy: -85.446 flat angles C4'-P-C4' energy: -77.385 flat angles P-C4'-P energy: -53.499 tors. eta vs tors. theta energy: -94.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -900.447053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.447053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.447053 (E_RNA) where: Base-Base interactions energy: -586.493 where: short stacking energy: -271.217 Base-Backbone interact. energy: 1.097 local terms energy: -315.051279 where: bonds (distance) C4'-P energy: -64.599 bonds (distance) P-C4' energy: -81.116 flat angles C4'-P-C4' energy: -72.623 flat angles P-C4'-P energy: -44.184 tors. eta vs tors. theta energy: -52.530 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: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -654.937279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.937279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.937279 (E_RNA) where: Base-Base interactions energy: -396.864 where: short stacking energy: -183.951 Base-Backbone interact. energy: 0.440 local terms energy: -258.513137 where: bonds (distance) C4'-P energy: -70.984 bonds (distance) P-C4' energy: -73.794 flat angles C4'-P-C4' energy: -65.492 flat angles P-C4'-P energy: -34.517 tors. eta vs tors. theta energy: -13.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -741.834397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.834397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.834397 (E_RNA) where: Base-Base interactions energy: -470.379 where: short stacking energy: -213.522 Base-Backbone interact. energy: 1.646 local terms energy: -273.100868 where: bonds (distance) C4'-P energy: -71.871 bonds (distance) P-C4' energy: -59.023 flat angles C4'-P-C4' energy: -71.732 flat angles P-C4'-P energy: -33.743 tors. eta vs tors. theta energy: -36.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1513.472875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.472875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.472875 (E_RNA) where: Base-Base interactions energy: -1073.171 where: short stacking energy: -422.109 Base-Backbone interact. energy: -2.489 local terms energy: -437.813349 where: bonds (distance) C4'-P energy: -88.542 bonds (distance) P-C4' energy: -85.679 flat angles C4'-P-C4' energy: -89.330 flat angles P-C4'-P energy: -65.694 tors. eta vs tors. theta energy: -108.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1463.101181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.101181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.101181 (E_RNA) where: Base-Base interactions energy: -1040.421 where: short stacking energy: -425.304 Base-Backbone interact. energy: -1.217 local terms energy: -421.463317 where: bonds (distance) C4'-P energy: -75.320 bonds (distance) P-C4' energy: -80.677 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -59.491 tors. eta vs tors. theta energy: -115.971 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: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1385.534182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.534182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.534182 (E_RNA) where: Base-Base interactions energy: -932.006 where: short stacking energy: -409.684 Base-Backbone interact. energy: -2.359 local terms energy: -451.168667 where: bonds (distance) C4'-P energy: -90.079 bonds (distance) P-C4' energy: -76.167 flat angles C4'-P-C4' energy: -99.820 flat angles P-C4'-P energy: -64.891 tors. eta vs tors. theta energy: -120.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1346.376098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.376098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.376098 (E_RNA) where: Base-Base interactions energy: -923.877 where: short stacking energy: -415.433 Base-Backbone interact. energy: -3.149 local terms energy: -419.350459 where: bonds (distance) C4'-P energy: -70.058 bonds (distance) P-C4' energy: -82.248 flat angles C4'-P-C4' energy: -87.525 flat angles P-C4'-P energy: -59.911 tors. eta vs tors. theta energy: -119.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1297.877628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.877628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.877628 (E_RNA) where: Base-Base interactions energy: -915.743 where: short stacking energy: -376.076 Base-Backbone interact. energy: -1.252 local terms energy: -380.882410 where: bonds (distance) C4'-P energy: -69.437 bonds (distance) P-C4' energy: -65.422 flat angles C4'-P-C4' energy: -86.911 flat angles P-C4'-P energy: -57.338 tors. eta vs tors. theta energy: -101.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1278.231516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.231516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.231516 (E_RNA) where: Base-Base interactions energy: -887.396 where: short stacking energy: -382.667 Base-Backbone interact. energy: -1.350 local terms energy: -389.484827 where: bonds (distance) C4'-P energy: -68.109 bonds (distance) P-C4' energy: -68.587 flat angles C4'-P-C4' energy: -89.585 flat angles P-C4'-P energy: -55.660 tors. eta vs tors. theta energy: -107.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1100.295291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.295291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.295291 (E_RNA) where: Base-Base interactions energy: -722.905 where: short stacking energy: -337.563 Base-Backbone interact. energy: 1.846 local terms energy: -379.235530 where: bonds (distance) C4'-P energy: -87.207 bonds (distance) P-C4' energy: -62.269 flat angles C4'-P-C4' energy: -87.825 flat angles P-C4'-P energy: -46.954 tors. eta vs tors. theta energy: -94.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -857.053032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.053032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.053032 (E_RNA) where: Base-Base interactions energy: -534.476 where: short stacking energy: -239.155 Base-Backbone interact. energy: -1.161 local terms energy: -321.415606 where: bonds (distance) C4'-P energy: -71.165 bonds (distance) P-C4' energy: -77.331 flat angles C4'-P-C4' energy: -74.636 flat angles P-C4'-P energy: -51.515 tors. eta vs tors. theta energy: -46.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -659.886329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.886329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.886329 (E_RNA) where: Base-Base interactions energy: -379.509 where: short stacking energy: -175.521 Base-Backbone interact. energy: -1.905 local terms energy: -278.472586 where: bonds (distance) C4'-P energy: -85.090 bonds (distance) P-C4' energy: -75.013 flat angles C4'-P-C4' energy: -60.162 flat angles P-C4'-P energy: -31.480 tors. eta vs tors. theta energy: -26.727 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: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -677.291906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.291906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.291906 (E_RNA) where: Base-Base interactions energy: -421.460 where: short stacking energy: -193.824 Base-Backbone interact. energy: 1.080 local terms energy: -256.912464 where: bonds (distance) C4'-P energy: -73.831 bonds (distance) P-C4' energy: -66.699 flat angles C4'-P-C4' energy: -57.018 flat angles P-C4'-P energy: -38.639 tors. eta vs tors. theta energy: -20.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1519.726552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.726552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.726552 (E_RNA) where: Base-Base interactions energy: -1087.681 where: short stacking energy: -433.470 Base-Backbone interact. energy: -1.137 local terms energy: -430.908802 where: bonds (distance) C4'-P energy: -79.724 bonds (distance) P-C4' energy: -84.361 flat angles C4'-P-C4' energy: -97.867 flat angles P-C4'-P energy: -57.860 tors. eta vs tors. theta energy: -111.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1464.035934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.035934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.035934 (E_RNA) where: Base-Base interactions energy: -1022.663 where: short stacking energy: -399.779 Base-Backbone interact. energy: 1.372 local terms energy: -442.745621 where: bonds (distance) C4'-P energy: -78.096 bonds (distance) P-C4' energy: -85.620 flat angles C4'-P-C4' energy: -99.425 flat angles P-C4'-P energy: -61.407 tors. eta vs tors. theta energy: -118.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1381.536036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.536036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.536036 (E_RNA) where: Base-Base interactions energy: -938.942 where: short stacking energy: -418.523 Base-Backbone interact. energy: -1.737 local terms energy: -440.857808 where: bonds (distance) C4'-P energy: -82.181 bonds (distance) P-C4' energy: -81.162 flat angles C4'-P-C4' energy: -99.595 flat angles P-C4'-P energy: -64.786 tors. eta vs tors. theta energy: -113.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1350.017175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.017175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.017175 (E_RNA) where: Base-Base interactions energy: -942.982 where: short stacking energy: -386.943 Base-Backbone interact. energy: 0.410 local terms energy: -407.445712 where: bonds (distance) C4'-P energy: -80.138 bonds (distance) P-C4' energy: -70.251 flat angles C4'-P-C4' energy: -88.570 flat angles P-C4'-P energy: -61.207 tors. eta vs tors. theta energy: -107.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1303.416449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.416449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.416449 (E_RNA) where: Base-Base interactions energy: -911.996 where: short stacking energy: -382.674 Base-Backbone interact. energy: -2.061 local terms energy: -389.359524 where: bonds (distance) C4'-P energy: -73.179 bonds (distance) P-C4' energy: -85.500 flat angles C4'-P-C4' energy: -75.638 flat angles P-C4'-P energy: -51.190 tors. eta vs tors. theta energy: -103.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1260.845370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.845370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.845370 (E_RNA) where: Base-Base interactions energy: -871.451 where: short stacking energy: -368.428 Base-Backbone interact. energy: 0.471 local terms energy: -389.864927 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -77.781 flat angles C4'-P-C4' energy: -89.687 flat angles P-C4'-P energy: -59.304 tors. eta vs tors. theta energy: -102.432 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: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1093.412312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.412312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.412312 (E_RNA) where: Base-Base interactions energy: -732.080 where: short stacking energy: -321.663 Base-Backbone interact. energy: -0.854 local terms energy: -360.478709 where: bonds (distance) C4'-P energy: -69.212 bonds (distance) P-C4' energy: -73.492 flat angles C4'-P-C4' energy: -85.924 flat angles P-C4'-P energy: -53.632 tors. eta vs tors. theta energy: -78.219 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: 8, replica: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -859.262708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.262708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.262708 (E_RNA) where: Base-Base interactions energy: -550.369 where: short stacking energy: -229.520 Base-Backbone interact. energy: -3.619 local terms energy: -305.275314 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -87.553 flat angles C4'-P-C4' energy: -66.368 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -42.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -721.514590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.514590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.514590 (E_RNA) where: Base-Base interactions energy: -449.251 where: short stacking energy: -218.149 Base-Backbone interact. energy: 2.770 local terms energy: -275.033807 where: bonds (distance) C4'-P energy: -68.953 bonds (distance) P-C4' energy: -66.977 flat angles C4'-P-C4' energy: -62.067 flat angles P-C4'-P energy: -39.097 tors. eta vs tors. theta energy: -37.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -608.074964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.074964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.074964 (E_RNA) where: Base-Base interactions energy: -352.030 where: short stacking energy: -179.390 Base-Backbone interact. energy: 2.778 local terms energy: -258.822933 where: bonds (distance) C4'-P energy: -74.398 bonds (distance) P-C4' energy: -79.560 flat angles C4'-P-C4' energy: -57.673 flat angles P-C4'-P energy: -35.653 tors. eta vs tors. theta energy: -11.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1513.803809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.803809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.803809 (E_RNA) where: Base-Base interactions energy: -1080.948 where: short stacking energy: -436.738 Base-Backbone interact. energy: -0.053 local terms energy: -432.802751 where: bonds (distance) C4'-P energy: -70.378 bonds (distance) P-C4' energy: -89.973 flat angles C4'-P-C4' energy: -93.502 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: -115.203 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: 385 Temperature: 0.950000 Total energy: -1459.043102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.043102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.043102 (E_RNA) where: Base-Base interactions energy: -1022.013 where: short stacking energy: -401.404 Base-Backbone interact. energy: -0.748 local terms energy: -436.281602 where: bonds (distance) C4'-P energy: -85.739 bonds (distance) P-C4' energy: -84.010 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -60.221 tors. eta vs tors. theta energy: -113.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1371.662964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.662964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.662964 (E_RNA) where: Base-Base interactions energy: -925.338 where: short stacking energy: -407.296 Base-Backbone interact. energy: -0.141 local terms energy: -446.183829 where: bonds (distance) C4'-P energy: -89.142 bonds (distance) P-C4' energy: -91.613 flat angles C4'-P-C4' energy: -87.044 flat angles P-C4'-P energy: -65.989 tors. eta vs tors. theta energy: -112.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1361.698929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.698929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.698929 (E_RNA) where: Base-Base interactions energy: -943.782 where: short stacking energy: -419.208 Base-Backbone interact. energy: 0.677 local terms energy: -418.594099 where: bonds (distance) C4'-P energy: -69.212 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -98.050 flat angles P-C4'-P energy: -55.184 tors. eta vs tors. theta energy: -114.390 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: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1269.179572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.179572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.179572 (E_RNA) where: Base-Base interactions energy: -865.183 where: short stacking energy: -362.238 Base-Backbone interact. energy: -5.055 local terms energy: -398.941106 where: bonds (distance) C4'-P energy: -66.651 bonds (distance) P-C4' energy: -81.869 flat angles C4'-P-C4' energy: -83.755 flat angles P-C4'-P energy: -62.069 tors. eta vs tors. theta energy: -104.597 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: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1278.536816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.536816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.536816 (E_RNA) where: Base-Base interactions energy: -892.151 where: short stacking energy: -372.021 Base-Backbone interact. energy: -0.465 local terms energy: -385.920756 where: bonds (distance) C4'-P energy: -68.415 bonds (distance) P-C4' energy: -78.513 flat angles C4'-P-C4' energy: -81.913 flat angles P-C4'-P energy: -55.342 tors. eta vs tors. theta energy: -101.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1076.233541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.233541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.233541 (E_RNA) where: Base-Base interactions energy: -724.955 where: short stacking energy: -342.738 Base-Backbone interact. energy: 2.578 local terms energy: -353.856341 where: bonds (distance) C4'-P energy: -67.062 bonds (distance) P-C4' energy: -54.886 flat angles C4'-P-C4' energy: -95.657 flat angles P-C4'-P energy: -45.162 tors. eta vs tors. theta energy: -91.090 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: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -899.942220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.942220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.942220 (E_RNA) where: Base-Base interactions energy: -551.230 where: short stacking energy: -249.001 Base-Backbone interact. energy: -1.912 local terms energy: -346.800011 where: bonds (distance) C4'-P energy: -75.920 bonds (distance) P-C4' energy: -72.345 flat angles C4'-P-C4' energy: -83.139 flat angles P-C4'-P energy: -54.550 tors. eta vs tors. theta energy: -60.846 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: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -721.323183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.323183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.323183 (E_RNA) where: Base-Base interactions energy: -454.271 where: short stacking energy: -209.973 Base-Backbone interact. energy: -0.504 local terms energy: -266.548701 where: bonds (distance) C4'-P energy: -66.739 bonds (distance) P-C4' energy: -63.066 flat angles C4'-P-C4' energy: -60.913 flat angles P-C4'-P energy: -45.106 tors. eta vs tors. theta energy: -30.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -610.350881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.350881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.350881 (E_RNA) where: Base-Base interactions energy: -369.976 where: short stacking energy: -178.532 Base-Backbone interact. energy: 0.208 local terms energy: -240.582922 where: bonds (distance) C4'-P energy: -54.254 bonds (distance) P-C4' energy: -69.588 flat angles C4'-P-C4' energy: -59.875 flat angles P-C4'-P energy: -43.456 tors. eta vs tors. theta energy: -13.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1523.891711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.891711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.891711 (E_RNA) where: Base-Base interactions energy: -1072.320 where: short stacking energy: -427.248 Base-Backbone interact. energy: -5.921 local terms energy: -445.650050 where: bonds (distance) C4'-P energy: -87.412 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -96.691 flat angles P-C4'-P energy: -63.648 tors. eta vs tors. theta energy: -120.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1459.109008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.109008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.109008 (E_RNA) where: Base-Base interactions energy: -1037.144 where: short stacking energy: -413.024 Base-Backbone interact. energy: -2.105 local terms energy: -419.859432 where: bonds (distance) C4'-P energy: -76.449 bonds (distance) P-C4' energy: -88.500 flat angles C4'-P-C4' energy: -90.855 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -114.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1374.038013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.038013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.038013 (E_RNA) where: Base-Base interactions energy: -945.918 where: short stacking energy: -402.795 Base-Backbone interact. energy: -1.591 local terms energy: -426.529207 where: bonds (distance) C4'-P energy: -78.056 bonds (distance) P-C4' energy: -86.560 flat angles C4'-P-C4' energy: -86.780 flat angles P-C4'-P energy: -67.013 tors. eta vs tors. theta energy: -108.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1387.394918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.394918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.394918 (E_RNA) where: Base-Base interactions energy: -943.553 where: short stacking energy: -403.407 Base-Backbone interact. energy: -0.265 local terms energy: -443.576745 where: bonds (distance) C4'-P energy: -86.271 bonds (distance) P-C4' energy: -86.942 flat angles C4'-P-C4' energy: -97.641 flat angles P-C4'-P energy: -55.705 tors. eta vs tors. theta energy: -117.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1293.991226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.991226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.991226 (E_RNA) where: Base-Base interactions energy: -887.113 where: short stacking energy: -390.825 Base-Backbone interact. energy: -1.577 local terms energy: -405.301285 where: bonds (distance) C4'-P energy: -73.071 bonds (distance) P-C4' energy: -81.662 flat angles C4'-P-C4' energy: -78.556 flat angles P-C4'-P energy: -65.177 tors. eta vs tors. theta energy: -106.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1194.386802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.386802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.386802 (E_RNA) where: Base-Base interactions energy: -817.543 where: short stacking energy: -351.286 Base-Backbone interact. energy: 1.507 local terms energy: -378.350655 where: bonds (distance) C4'-P energy: -83.805 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -87.454 flat angles P-C4'-P energy: -50.432 tors. eta vs tors. theta energy: -86.709 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: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1102.813958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.813958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.813958 (E_RNA) where: Base-Base interactions energy: -735.779 where: short stacking energy: -331.058 Base-Backbone interact. energy: -1.522 local terms energy: -365.513125 where: bonds (distance) C4'-P energy: -66.996 bonds (distance) P-C4' energy: -79.360 flat angles C4'-P-C4' energy: -82.855 flat angles P-C4'-P energy: -57.637 tors. eta vs tors. theta energy: -78.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -883.789270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.789270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.789270 (E_RNA) where: Base-Base interactions energy: -563.271 where: short stacking energy: -241.862 Base-Backbone interact. energy: -2.902 local terms energy: -317.616273 where: bonds (distance) C4'-P energy: -68.047 bonds (distance) P-C4' energy: -77.109 flat angles C4'-P-C4' energy: -71.988 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -56.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -678.527412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.527412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.527412 (E_RNA) where: Base-Base interactions energy: -412.718 where: short stacking energy: -207.224 Base-Backbone interact. energy: 1.555 local terms energy: -267.364866 where: bonds (distance) C4'-P energy: -69.217 bonds (distance) P-C4' energy: -67.575 flat angles C4'-P-C4' energy: -65.191 flat angles P-C4'-P energy: -34.534 tors. eta vs tors. theta energy: -30.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -602.001665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.001665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.001665 (E_RNA) where: Base-Base interactions energy: -346.124 where: short stacking energy: -171.417 Base-Backbone interact. energy: -1.911 local terms energy: -253.966551 where: bonds (distance) C4'-P energy: -77.688 bonds (distance) P-C4' energy: -63.132 flat angles C4'-P-C4' energy: -60.075 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -9.101 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: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1526.578065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.578065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.578065 (E_RNA) where: Base-Base interactions energy: -1084.643 where: short stacking energy: -418.200 Base-Backbone interact. energy: -3.109 local terms energy: -438.825164 where: bonds (distance) C4'-P energy: -83.945 bonds (distance) P-C4' energy: -88.563 flat angles C4'-P-C4' energy: -100.025 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -109.296 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: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1472.565674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.565674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.565674 (E_RNA) where: Base-Base interactions energy: -1043.914 where: short stacking energy: -405.304 Base-Backbone interact. energy: -0.078 local terms energy: -428.573794 where: bonds (distance) C4'-P energy: -80.612 bonds (distance) P-C4' energy: -80.662 flat angles C4'-P-C4' energy: -96.007 flat angles P-C4'-P energy: -62.599 tors. eta vs tors. theta energy: -108.693 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: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1396.545064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.545064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.545064 (E_RNA) where: Base-Base interactions energy: -975.267 where: short stacking energy: -415.334 Base-Backbone interact. energy: 0.748 local terms energy: -422.025967 where: bonds (distance) C4'-P energy: -79.007 bonds (distance) P-C4' energy: -80.043 flat angles C4'-P-C4' energy: -99.364 flat angles P-C4'-P energy: -56.466 tors. eta vs tors. theta energy: -107.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1351.372458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.372458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.372458 (E_RNA) where: Base-Base interactions energy: -939.966 where: short stacking energy: -418.124 Base-Backbone interact. energy: -1.891 local terms energy: -409.515090 where: bonds (distance) C4'-P energy: -75.346 bonds (distance) P-C4' energy: -69.269 flat angles C4'-P-C4' energy: -82.926 flat angles P-C4'-P energy: -65.281 tors. eta vs tors. theta energy: -116.693 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: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1330.676822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.676822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.676822 (E_RNA) where: Base-Base interactions energy: -904.359 where: short stacking energy: -400.576 Base-Backbone interact. energy: -0.524 local terms energy: -425.793312 where: bonds (distance) C4'-P energy: -75.607 bonds (distance) P-C4' energy: -74.118 flat angles C4'-P-C4' energy: -97.048 flat angles P-C4'-P energy: -60.350 tors. eta vs tors. theta energy: -118.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1187.381311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.381311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.381311 (E_RNA) where: Base-Base interactions energy: -825.564 where: short stacking energy: -341.348 Base-Backbone interact. energy: 4.725 local terms energy: -366.542080 where: bonds (distance) C4'-P energy: -75.696 bonds (distance) P-C4' energy: -78.547 flat angles C4'-P-C4' energy: -77.285 flat angles P-C4'-P energy: -47.500 tors. eta vs tors. theta energy: -87.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1069.194166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.194166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.194166 (E_RNA) where: Base-Base interactions energy: -731.038 where: short stacking energy: -320.410 Base-Backbone interact. energy: 0.987 local terms energy: -339.142746 where: bonds (distance) C4'-P energy: -73.567 bonds (distance) P-C4' energy: -70.890 flat angles C4'-P-C4' energy: -80.523 flat angles P-C4'-P energy: -41.895 tors. eta vs tors. theta energy: -72.267 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: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -909.982618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.982618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.982618 (E_RNA) where: Base-Base interactions energy: -596.680 where: short stacking energy: -273.861 Base-Backbone interact. energy: -1.797 local terms energy: -311.505586 where: bonds (distance) C4'-P energy: -65.805 bonds (distance) P-C4' energy: -69.895 flat angles C4'-P-C4' energy: -74.133 flat angles P-C4'-P energy: -41.049 tors. eta vs tors. theta energy: -60.624 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: 387 Temperature: 1.300000 Total energy: -639.990946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.990946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.990946 (E_RNA) where: Base-Base interactions energy: -400.965 where: short stacking energy: -217.735 Base-Backbone interact. energy: -1.947 local terms energy: -237.078817 where: bonds (distance) C4'-P energy: -59.648 bonds (distance) P-C4' energy: -55.969 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -27.573 tors. eta vs tors. theta energy: -27.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -608.386077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.386077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.386077 (E_RNA) where: Base-Base interactions energy: -355.293 where: short stacking energy: -174.616 Base-Backbone interact. energy: -1.326 local terms energy: -251.767032 where: bonds (distance) C4'-P energy: -78.860 bonds (distance) P-C4' energy: -76.212 flat angles C4'-P-C4' energy: -47.095 flat angles P-C4'-P energy: -28.412 tors. eta vs tors. theta energy: -21.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1521.293347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.293347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.293347 (E_RNA) where: Base-Base interactions energy: -1076.359 where: short stacking energy: -431.098 Base-Backbone interact. energy: -2.837 local terms energy: -442.098195 where: bonds (distance) C4'-P energy: -68.605 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -95.755 flat angles P-C4'-P energy: -67.452 tors. eta vs tors. theta energy: -118.176 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: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1476.642512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.642512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.642512 (E_RNA) where: Base-Base interactions energy: -1051.546 where: short stacking energy: -405.788 Base-Backbone interact. energy: -0.843 local terms energy: -424.253576 where: bonds (distance) C4'-P energy: -78.114 bonds (distance) P-C4' energy: -82.225 flat angles C4'-P-C4' energy: -92.859 flat angles P-C4'-P energy: -58.068 tors. eta vs tors. theta energy: -112.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1348.048781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.048781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.048781 (E_RNA) where: Base-Base interactions energy: -928.829 where: short stacking energy: -398.951 Base-Backbone interact. energy: -2.966 local terms energy: -416.253630 where: bonds (distance) C4'-P energy: -77.431 bonds (distance) P-C4' energy: -87.058 flat angles C4'-P-C4' energy: -87.500 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: -107.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1319.988945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.988945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.988945 (E_RNA) where: Base-Base interactions energy: -918.781 where: short stacking energy: -412.738 Base-Backbone interact. energy: -0.469 local terms energy: -400.738477 where: bonds (distance) C4'-P energy: -68.413 bonds (distance) P-C4' energy: -73.993 flat angles C4'-P-C4' energy: -90.494 flat angles P-C4'-P energy: -54.328 tors. eta vs tors. theta energy: -113.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1353.780731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.780731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.780731 (E_RNA) where: Base-Base interactions energy: -923.714 where: short stacking energy: -420.672 Base-Backbone interact. energy: -2.229 local terms energy: -427.837490 where: bonds (distance) C4'-P energy: -69.401 bonds (distance) P-C4' energy: -85.136 flat angles C4'-P-C4' energy: -88.670 flat angles P-C4'-P energy: -63.351 tors. eta vs tors. theta energy: -121.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1231.752344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.752344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.752344 (E_RNA) where: Base-Base interactions energy: -847.657 where: short stacking energy: -348.066 Base-Backbone interact. energy: -1.842 local terms energy: -382.253366 where: bonds (distance) C4'-P energy: -74.078 bonds (distance) P-C4' energy: -84.526 flat angles C4'-P-C4' energy: -83.080 flat angles P-C4'-P energy: -55.260 tors. eta vs tors. theta energy: -85.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1069.558171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.558171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.558171 (E_RNA) where: Base-Base interactions energy: -718.047 where: short stacking energy: -321.728 Base-Backbone interact. energy: -2.132 local terms energy: -349.379418 where: bonds (distance) C4'-P energy: -72.597 bonds (distance) P-C4' energy: -82.180 flat angles C4'-P-C4' energy: -66.269 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: -77.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -843.017075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.017075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.017075 (E_RNA) where: Base-Base interactions energy: -524.147 where: short stacking energy: -242.055 Base-Backbone interact. energy: 0.802 local terms energy: -319.671654 where: bonds (distance) C4'-P energy: -76.051 bonds (distance) P-C4' energy: -78.056 flat angles C4'-P-C4' energy: -70.316 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: -53.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -681.403394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.403394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.403394 (E_RNA) where: Base-Base interactions energy: -422.399 where: short stacking energy: -192.580 Base-Backbone interact. energy: 0.119 local terms energy: -259.123823 where: bonds (distance) C4'-P energy: -65.161 bonds (distance) P-C4' energy: -63.832 flat angles C4'-P-C4' energy: -61.372 flat angles P-C4'-P energy: -37.810 tors. eta vs tors. theta energy: -30.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -582.047331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.047331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.047331 (E_RNA) where: Base-Base interactions energy: -344.564 where: short stacking energy: -144.226 Base-Backbone interact. energy: -2.335 local terms energy: -235.147589 where: bonds (distance) C4'-P energy: -68.700 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -75.704 flat angles P-C4'-P energy: -34.911 tors. eta vs tors. theta energy: 5.835 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: 389 Temperature: 0.900000 Total energy: -1516.134805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.134805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.134805 (E_RNA) where: Base-Base interactions energy: -1065.285 where: short stacking energy: -425.296 Base-Backbone interact. energy: -2.144 local terms energy: -448.705420 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -89.660 flat angles C4'-P-C4' energy: -100.456 flat angles P-C4'-P energy: -65.154 tors. eta vs tors. theta energy: -114.948 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: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1458.924387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.924387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.924387 (E_RNA) where: Base-Base interactions energy: -1014.792 where: short stacking energy: -421.640 Base-Backbone interact. energy: -1.495 local terms energy: -442.637774 where: bonds (distance) C4'-P energy: -87.786 bonds (distance) P-C4' energy: -78.771 flat angles C4'-P-C4' energy: -92.560 flat angles P-C4'-P energy: -69.672 tors. eta vs tors. theta energy: -113.850 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: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1407.168858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.168858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.168858 (E_RNA) where: Base-Base interactions energy: -977.739 where: short stacking energy: -426.821 Base-Backbone interact. energy: -0.563 local terms energy: -428.866616 where: bonds (distance) C4'-P energy: -85.011 bonds (distance) P-C4' energy: -77.160 flat angles C4'-P-C4' energy: -93.879 flat angles P-C4'-P energy: -61.282 tors. eta vs tors. theta energy: -111.534 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: 389 Temperature: 1.050000 Total energy: -1335.822652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.822652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.822652 (E_RNA) where: Base-Base interactions energy: -926.586 where: short stacking energy: -399.633 Base-Backbone interact. energy: -0.559 local terms energy: -408.677451 where: bonds (distance) C4'-P energy: -79.708 bonds (distance) P-C4' energy: -76.407 flat angles C4'-P-C4' energy: -81.318 flat angles P-C4'-P energy: -58.749 tors. eta vs tors. theta energy: -112.495 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: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1285.553693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.553693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.553693 (E_RNA) where: Base-Base interactions energy: -890.109 where: short stacking energy: -371.113 Base-Backbone interact. energy: -0.455 local terms energy: -394.990178 where: bonds (distance) C4'-P energy: -70.450 bonds (distance) P-C4' energy: -77.161 flat angles C4'-P-C4' energy: -88.256 flat angles P-C4'-P energy: -45.818 tors. eta vs tors. theta energy: -113.305 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: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1204.831139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.831139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.831139 (E_RNA) where: Base-Base interactions energy: -826.869 where: short stacking energy: -336.436 Base-Backbone interact. energy: -2.506 local terms energy: -375.456235 where: bonds (distance) C4'-P energy: -72.576 bonds (distance) P-C4' energy: -77.137 flat angles C4'-P-C4' energy: -81.757 flat angles P-C4'-P energy: -57.863 tors. eta vs tors. theta energy: -86.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1097.181956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.181956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.181956 (E_RNA) where: Base-Base interactions energy: -739.033 where: short stacking energy: -325.461 Base-Backbone interact. energy: -1.490 local terms energy: -356.658949 where: bonds (distance) C4'-P energy: -60.159 bonds (distance) P-C4' energy: -83.679 flat angles C4'-P-C4' energy: -78.887 flat angles P-C4'-P energy: -50.054 tors. eta vs tors. theta energy: -83.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -839.458053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.458053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.458053 (E_RNA) where: Base-Base interactions energy: -528.585 where: short stacking energy: -231.056 Base-Backbone interact. energy: 2.064 local terms energy: -312.936987 where: bonds (distance) C4'-P energy: -73.658 bonds (distance) P-C4' energy: -76.081 flat angles C4'-P-C4' energy: -68.561 flat angles P-C4'-P energy: -54.361 tors. eta vs tors. theta energy: -40.277 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: 389 Temperature: 1.300000 Total energy: -680.655279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.655279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.655279 (E_RNA) where: Base-Base interactions energy: -391.694 where: short stacking energy: -191.686 Base-Backbone interact. energy: -0.277 local terms energy: -288.683840 where: bonds (distance) C4'-P energy: -71.519 bonds (distance) P-C4' energy: -77.790 flat angles C4'-P-C4' energy: -67.404 flat angles P-C4'-P energy: -42.797 tors. eta vs tors. theta energy: -29.174 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: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -599.151250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.151250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.151250 (E_RNA) where: Base-Base interactions energy: -341.852 where: short stacking energy: -167.870 Base-Backbone interact. energy: -2.879 local terms energy: -254.419454 where: bonds (distance) C4'-P energy: -74.484 bonds (distance) P-C4' energy: -72.143 flat angles C4'-P-C4' energy: -68.274 flat angles P-C4'-P energy: -23.290 tors. eta vs tors. theta energy: -16.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1531.950330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.950330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.950330 (E_RNA) where: Base-Base interactions energy: -1080.513 where: short stacking energy: -429.545 Base-Backbone interact. energy: -2.285 local terms energy: -449.152590 where: bonds (distance) C4'-P energy: -89.377 bonds (distance) P-C4' energy: -83.597 flat angles C4'-P-C4' energy: -95.793 flat angles P-C4'-P energy: -60.927 tors. eta vs tors. theta energy: -119.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1478.816510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.816510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.816510 (E_RNA) where: Base-Base interactions energy: -1031.266 where: short stacking energy: -435.183 Base-Backbone interact. energy: -2.560 local terms energy: -444.990288 where: bonds (distance) C4'-P energy: -83.450 bonds (distance) P-C4' energy: -92.297 flat angles C4'-P-C4' energy: -93.105 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -123.183 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: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1381.408156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.408156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.408156 (E_RNA) where: Base-Base interactions energy: -945.705 where: short stacking energy: -400.967 Base-Backbone interact. energy: -1.928 local terms energy: -433.776068 where: bonds (distance) C4'-P energy: -88.183 bonds (distance) P-C4' energy: -85.531 flat angles C4'-P-C4' energy: -85.227 flat angles P-C4'-P energy: -69.487 tors. eta vs tors. theta energy: -105.348 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: 4, replica: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1345.968728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.968728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.968728 (E_RNA) where: Base-Base interactions energy: -930.605 where: short stacking energy: -402.922 Base-Backbone interact. energy: -1.133 local terms energy: -414.230271 where: bonds (distance) C4'-P energy: -69.776 bonds (distance) P-C4' energy: -83.781 flat angles C4'-P-C4' energy: -89.766 flat angles P-C4'-P energy: -54.307 tors. eta vs tors. theta energy: -116.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1317.947609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.947609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.947609 (E_RNA) where: Base-Base interactions energy: -907.048 where: short stacking energy: -391.470 Base-Backbone interact. energy: -1.489 local terms energy: -409.410842 where: bonds (distance) C4'-P energy: -70.795 bonds (distance) P-C4' energy: -83.336 flat angles C4'-P-C4' energy: -87.694 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -111.909 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: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1185.732012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.732012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.732012 (E_RNA) where: Base-Base interactions energy: -821.989 where: short stacking energy: -351.355 Base-Backbone interact. energy: -2.576 local terms energy: -361.166473 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -73.589 flat angles C4'-P-C4' energy: -77.774 flat angles P-C4'-P energy: -60.967 tors. eta vs tors. theta energy: -82.750 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: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1062.483849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.483849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.483849 (E_RNA) where: Base-Base interactions energy: -716.249 where: short stacking energy: -317.188 Base-Backbone interact. energy: 1.408 local terms energy: -347.642306 where: bonds (distance) C4'-P energy: -68.064 bonds (distance) P-C4' energy: -72.876 flat angles C4'-P-C4' energy: -89.177 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -73.334 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: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -876.387173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.387173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.387173 (E_RNA) where: Base-Base interactions energy: -570.302 where: short stacking energy: -274.712 Base-Backbone interact. energy: 0.084 local terms energy: -306.169178 where: bonds (distance) C4'-P energy: -58.532 bonds (distance) P-C4' energy: -72.536 flat angles C4'-P-C4' energy: -78.309 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -47.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -657.984549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.984549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.984549 (E_RNA) where: Base-Base interactions energy: -352.943 where: short stacking energy: -181.961 Base-Backbone interact. energy: -1.639 local terms energy: -303.402038 where: bonds (distance) C4'-P energy: -75.731 bonds (distance) P-C4' energy: -75.232 flat angles C4'-P-C4' energy: -67.392 flat angles P-C4'-P energy: -58.329 tors. eta vs tors. theta energy: -26.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -613.492877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.492877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.492877 (E_RNA) where: Base-Base interactions energy: -365.122 where: short stacking energy: -180.658 Base-Backbone interact. energy: -1.988 local terms energy: -246.382923 where: bonds (distance) C4'-P energy: -48.872 bonds (distance) P-C4' energy: -79.718 flat angles C4'-P-C4' energy: -61.790 flat angles P-C4'-P energy: -29.667 tors. eta vs tors. theta energy: -26.336 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: 391 Temperature: 0.900000 Total energy: -1518.252696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.252696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.252696 (E_RNA) where: Base-Base interactions energy: -1069.860 where: short stacking energy: -413.982 Base-Backbone interact. energy: -3.198 local terms energy: -445.194861 where: bonds (distance) C4'-P energy: -81.602 bonds (distance) P-C4' energy: -91.296 flat angles C4'-P-C4' energy: -97.754 flat angles P-C4'-P energy: -58.448 tors. eta vs tors. theta energy: -116.095 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: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1471.348401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.348401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.348401 (E_RNA) where: Base-Base interactions energy: -1046.373 where: short stacking energy: -413.228 Base-Backbone interact. energy: -1.527 local terms energy: -423.449304 where: bonds (distance) C4'-P energy: -79.566 bonds (distance) P-C4' energy: -89.995 flat angles C4'-P-C4' energy: -96.417 flat angles P-C4'-P energy: -47.453 tors. eta vs tors. theta energy: -110.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1422.982262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.982262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.982262 (E_RNA) where: Base-Base interactions energy: -982.226 where: short stacking energy: -414.736 Base-Backbone interact. energy: -0.784 local terms energy: -439.972163 where: bonds (distance) C4'-P energy: -78.876 bonds (distance) P-C4' energy: -86.036 flat angles C4'-P-C4' energy: -96.809 flat angles P-C4'-P energy: -63.702 tors. eta vs tors. theta energy: -114.549 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: 391 Temperature: 1.050000 Total energy: -1384.228306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.228306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.228306 (E_RNA) where: Base-Base interactions energy: -944.074 where: short stacking energy: -418.877 Base-Backbone interact. energy: -3.979 local terms energy: -436.175688 where: bonds (distance) C4'-P energy: -75.007 bonds (distance) P-C4' energy: -82.589 flat angles C4'-P-C4' energy: -91.730 flat angles P-C4'-P energy: -64.272 tors. eta vs tors. theta energy: -122.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1323.645692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.645692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.645692 (E_RNA) where: Base-Base interactions energy: -925.596 where: short stacking energy: -377.793 Base-Backbone interact. energy: -1.036 local terms energy: -397.013221 where: bonds (distance) C4'-P energy: -76.251 bonds (distance) P-C4' energy: -79.313 flat angles C4'-P-C4' energy: -80.739 flat angles P-C4'-P energy: -48.164 tors. eta vs tors. theta energy: -112.546 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: 391 Temperature: 1.150000 Total energy: -1178.284302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.284302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.284302 (E_RNA) where: Base-Base interactions energy: -819.658 where: short stacking energy: -348.697 Base-Backbone interact. energy: 1.434 local terms energy: -360.060120 where: bonds (distance) C4'-P energy: -71.793 bonds (distance) P-C4' energy: -74.213 flat angles C4'-P-C4' energy: -86.298 flat angles P-C4'-P energy: -45.467 tors. eta vs tors. theta energy: -82.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1057.096990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.096990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.096990 (E_RNA) where: Base-Base interactions energy: -706.523 where: short stacking energy: -301.466 Base-Backbone interact. energy: 1.296 local terms energy: -351.870125 where: bonds (distance) C4'-P energy: -78.964 bonds (distance) P-C4' energy: -66.269 flat angles C4'-P-C4' energy: -81.964 flat angles P-C4'-P energy: -43.267 tors. eta vs tors. theta energy: -81.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -863.617389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.617389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.617389 (E_RNA) where: Base-Base interactions energy: -543.759 where: short stacking energy: -229.034 Base-Backbone interact. energy: 0.509 local terms energy: -320.367006 where: bonds (distance) C4'-P energy: -72.761 bonds (distance) P-C4' energy: -71.462 flat angles C4'-P-C4' energy: -71.006 flat angles P-C4'-P energy: -42.838 tors. eta vs tors. theta energy: -62.300 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: 391 Temperature: 1.300000 Total energy: -612.168407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.168407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.168407 (E_RNA) where: Base-Base interactions energy: -334.080 where: short stacking energy: -167.442 Base-Backbone interact. energy: -3.341 local terms energy: -274.747762 where: bonds (distance) C4'-P energy: -70.079 bonds (distance) P-C4' energy: -77.841 flat angles C4'-P-C4' energy: -59.920 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -21.076 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: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -603.388476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.388476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.388476 (E_RNA) where: Base-Base interactions energy: -358.543 where: short stacking energy: -180.847 Base-Backbone interact. energy: 0.245 local terms energy: -245.090633 where: bonds (distance) C4'-P energy: -73.851 bonds (distance) P-C4' energy: -73.296 flat angles C4'-P-C4' energy: -56.885 flat angles P-C4'-P energy: -39.897 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1498.423728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.423728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.423728 (E_RNA) where: Base-Base interactions energy: -1044.779 where: short stacking energy: -428.884 Base-Backbone interact. energy: 0.848 local terms energy: -454.492105 where: bonds (distance) C4'-P energy: -77.087 bonds (distance) P-C4' energy: -86.401 flat angles C4'-P-C4' energy: -101.946 flat angles P-C4'-P energy: -69.034 tors. eta vs tors. theta energy: -120.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1496.614836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.614836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.614836 (E_RNA) where: Base-Base interactions energy: -1051.155 where: short stacking energy: -409.724 Base-Backbone interact. energy: 0.019 local terms energy: -445.479517 where: bonds (distance) C4'-P energy: -85.785 bonds (distance) P-C4' energy: -90.908 flat angles C4'-P-C4' energy: -96.390 flat angles P-C4'-P energy: -61.963 tors. eta vs tors. theta energy: -110.435 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: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1424.158883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.158883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.158883 (E_RNA) where: Base-Base interactions energy: -981.080 where: short stacking energy: -414.173 Base-Backbone interact. energy: -1.740 local terms energy: -441.338124 where: bonds (distance) C4'-P energy: -84.041 bonds (distance) P-C4' energy: -74.171 flat angles C4'-P-C4' energy: -99.615 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: -109.575 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: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1351.801134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.801134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.801134 (E_RNA) where: Base-Base interactions energy: -930.484 where: short stacking energy: -409.648 Base-Backbone interact. energy: -0.242 local terms energy: -421.074260 where: bonds (distance) C4'-P energy: -75.294 bonds (distance) P-C4' energy: -78.839 flat angles C4'-P-C4' energy: -82.428 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -123.385 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: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1317.492915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.492915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.492915 (E_RNA) where: Base-Base interactions energy: -895.447 where: short stacking energy: -413.485 Base-Backbone interact. energy: -2.353 local terms energy: -419.693104 where: bonds (distance) C4'-P energy: -87.457 bonds (distance) P-C4' energy: -75.142 flat angles C4'-P-C4' energy: -92.905 flat angles P-C4'-P energy: -56.350 tors. eta vs tors. theta energy: -107.839 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: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1199.317164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.317164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.317164 (E_RNA) where: Base-Base interactions energy: -834.624 where: short stacking energy: -350.975 Base-Backbone interact. energy: -3.253 local terms energy: -361.440266 where: bonds (distance) C4'-P energy: -56.856 bonds (distance) P-C4' energy: -63.353 flat angles C4'-P-C4' energy: -94.044 flat angles P-C4'-P energy: -58.174 tors. eta vs tors. theta energy: -89.013 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: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1039.574806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.574806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.574806 (E_RNA) where: Base-Base interactions energy: -701.972 where: short stacking energy: -304.064 Base-Backbone interact. energy: 3.182 local terms energy: -340.784100 where: bonds (distance) C4'-P energy: -59.152 bonds (distance) P-C4' energy: -63.549 flat angles C4'-P-C4' energy: -87.731 flat angles P-C4'-P energy: -54.420 tors. eta vs tors. theta energy: -75.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -886.092225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.092225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.092225 (E_RNA) where: Base-Base interactions energy: -575.715 where: short stacking energy: -269.936 Base-Backbone interact. energy: -0.110 local terms energy: -310.266601 where: bonds (distance) C4'-P energy: -68.483 bonds (distance) P-C4' energy: -80.652 flat angles C4'-P-C4' energy: -70.358 flat angles P-C4'-P energy: -35.764 tors. eta vs tors. theta energy: -55.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -647.248191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.248191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.248191 (E_RNA) where: Base-Base interactions energy: -368.486 where: short stacking energy: -174.077 Base-Backbone interact. energy: 6.250 local terms energy: -285.012201 where: bonds (distance) C4'-P energy: -67.387 bonds (distance) P-C4' energy: -75.033 flat angles C4'-P-C4' energy: -84.357 flat angles P-C4'-P energy: -33.142 tors. eta vs tors. theta energy: -25.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -624.072576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.072576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.072576 (E_RNA) where: Base-Base interactions energy: -348.976 where: short stacking energy: -170.399 Base-Backbone interact. energy: -2.264 local terms energy: -272.832663 where: bonds (distance) C4'-P energy: -67.624 bonds (distance) P-C4' energy: -69.318 flat angles C4'-P-C4' energy: -64.285 flat angles P-C4'-P energy: -43.162 tors. eta vs tors. theta energy: -28.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1501.854730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.854730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.854730 (E_RNA) where: Base-Base interactions energy: -1061.050 where: short stacking energy: -427.713 Base-Backbone interact. energy: 1.087 local terms energy: -441.891632 where: bonds (distance) C4'-P energy: -88.521 bonds (distance) P-C4' energy: -84.422 flat angles C4'-P-C4' energy: -100.172 flat angles P-C4'-P energy: -58.854 tors. eta vs tors. theta energy: -109.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1495.439143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.439143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.439143 (E_RNA) where: Base-Base interactions energy: -1064.137 where: short stacking energy: -413.995 Base-Backbone interact. energy: -3.188 local terms energy: -428.114484 where: bonds (distance) C4'-P energy: -87.786 bonds (distance) P-C4' energy: -87.956 flat angles C4'-P-C4' energy: -98.144 flat angles P-C4'-P energy: -49.033 tors. eta vs tors. theta energy: -105.196 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: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1437.506283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.506283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.506283 (E_RNA) where: Base-Base interactions energy: -988.316 where: short stacking energy: -431.256 Base-Backbone interact. energy: -1.808 local terms energy: -447.382440 where: bonds (distance) C4'-P energy: -85.967 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -92.211 flat angles P-C4'-P energy: -68.792 tors. eta vs tors. theta energy: -131.241 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: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1379.422252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.422252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.422252 (E_RNA) where: Base-Base interactions energy: -955.615 where: short stacking energy: -407.976 Base-Backbone interact. energy: 0.211 local terms energy: -424.018267 where: bonds (distance) C4'-P energy: -81.449 bonds (distance) P-C4' energy: -90.247 flat angles C4'-P-C4' energy: -80.412 flat angles P-C4'-P energy: -52.454 tors. eta vs tors. theta energy: -119.456 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: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1317.503293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.503293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.503293 (E_RNA) where: Base-Base interactions energy: -904.427 where: short stacking energy: -396.986 Base-Backbone interact. energy: -1.677 local terms energy: -411.398817 where: bonds (distance) C4'-P energy: -75.391 bonds (distance) P-C4' energy: -78.363 flat angles C4'-P-C4' energy: -94.745 flat angles P-C4'-P energy: -58.536 tors. eta vs tors. theta energy: -104.364 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: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1202.227235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.227235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.227235 (E_RNA) where: Base-Base interactions energy: -840.494 where: short stacking energy: -343.097 Base-Backbone interact. energy: -0.955 local terms energy: -360.778219 where: bonds (distance) C4'-P energy: -63.367 bonds (distance) P-C4' energy: -80.570 flat angles C4'-P-C4' energy: -80.344 flat angles P-C4'-P energy: -53.471 tors. eta vs tors. theta energy: -83.025 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: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1035.502267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.502267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.502267 (E_RNA) where: Base-Base interactions energy: -691.841 where: short stacking energy: -310.201 Base-Backbone interact. energy: -1.229 local terms energy: -342.432928 where: bonds (distance) C4'-P energy: -83.898 bonds (distance) P-C4' energy: -64.611 flat angles C4'-P-C4' energy: -68.715 flat angles P-C4'-P energy: -47.495 tors. eta vs tors. theta energy: -77.715 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: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -857.186726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.186726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.186726 (E_RNA) where: Base-Base interactions energy: -542.968 where: short stacking energy: -242.979 Base-Backbone interact. energy: -1.351 local terms energy: -312.867994 where: bonds (distance) C4'-P energy: -64.829 bonds (distance) P-C4' energy: -82.848 flat angles C4'-P-C4' energy: -60.837 flat angles P-C4'-P energy: -52.943 tors. eta vs tors. theta energy: -51.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -627.840088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.840088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.840088 (E_RNA) where: Base-Base interactions energy: -360.603 where: short stacking energy: -193.140 Base-Backbone interact. energy: -1.438 local terms energy: -265.798784 where: bonds (distance) C4'-P energy: -70.676 bonds (distance) P-C4' energy: -77.966 flat angles C4'-P-C4' energy: -58.660 flat angles P-C4'-P energy: -42.192 tors. eta vs tors. theta energy: -16.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -565.011873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.011873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.011873 (E_RNA) where: Base-Base interactions energy: -310.748 where: short stacking energy: -156.219 Base-Backbone interact. energy: -0.065 local terms energy: -254.198825 where: bonds (distance) C4'-P energy: -62.740 bonds (distance) P-C4' energy: -70.191 flat angles C4'-P-C4' energy: -71.643 flat angles P-C4'-P energy: -30.975 tors. eta vs tors. theta energy: -18.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1536.712139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.712139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.712139 (E_RNA) where: Base-Base interactions energy: -1087.695 where: short stacking energy: -426.067 Base-Backbone interact. energy: -3.094 local terms energy: -445.922943 where: bonds (distance) C4'-P energy: -89.946 bonds (distance) P-C4' energy: -87.121 flat angles C4'-P-C4' energy: -91.105 flat angles P-C4'-P energy: -61.968 tors. eta vs tors. theta energy: -115.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1486.903399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.903399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.903399 (E_RNA) where: Base-Base interactions energy: -1053.390 where: short stacking energy: -421.690 Base-Backbone interact. energy: 1.142 local terms energy: -434.655542 where: bonds (distance) C4'-P energy: -76.696 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -101.363 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -108.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1432.526444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.526444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.526444 (E_RNA) where: Base-Base interactions energy: -988.955 where: short stacking energy: -418.990 Base-Backbone interact. energy: -1.750 local terms energy: -441.821287 where: bonds (distance) C4'-P energy: -88.295 bonds (distance) P-C4' energy: -83.177 flat angles C4'-P-C4' energy: -89.834 flat angles P-C4'-P energy: -56.053 tors. eta vs tors. theta energy: -124.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1372.162190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.162190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.162190 (E_RNA) where: Base-Base interactions energy: -965.143 where: short stacking energy: -403.469 Base-Backbone interact. energy: 1.124 local terms energy: -408.143259 where: bonds (distance) C4'-P energy: -70.290 bonds (distance) P-C4' energy: -77.705 flat angles C4'-P-C4' energy: -92.403 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: -109.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1304.771523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.771523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.771523 (E_RNA) where: Base-Base interactions energy: -915.060 where: short stacking energy: -380.188 Base-Backbone interact. energy: 0.297 local terms energy: -390.008818 where: bonds (distance) C4'-P energy: -76.680 bonds (distance) P-C4' energy: -73.212 flat angles C4'-P-C4' energy: -72.479 flat angles P-C4'-P energy: -66.133 tors. eta vs tors. theta energy: -101.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1221.620885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.620885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.620885 (E_RNA) where: Base-Base interactions energy: -849.542 where: short stacking energy: -363.032 Base-Backbone interact. energy: 0.467 local terms energy: -372.545845 where: bonds (distance) C4'-P energy: -67.064 bonds (distance) P-C4' energy: -74.793 flat angles C4'-P-C4' energy: -77.290 flat angles P-C4'-P energy: -53.844 tors. eta vs tors. theta energy: -99.555 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: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1100.927953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.927953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.927953 (E_RNA) where: Base-Base interactions energy: -722.405 where: short stacking energy: -339.242 Base-Backbone interact. energy: -1.199 local terms energy: -377.324631 where: bonds (distance) C4'-P energy: -72.908 bonds (distance) P-C4' energy: -78.731 flat angles C4'-P-C4' energy: -81.850 flat angles P-C4'-P energy: -57.727 tors. eta vs tors. theta energy: -86.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -858.478343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.478343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.478343 (E_RNA) where: Base-Base interactions energy: -553.809 where: short stacking energy: -230.166 Base-Backbone interact. energy: -0.316 local terms energy: -304.353449 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -74.251 flat angles C4'-P-C4' energy: -83.894 flat angles P-C4'-P energy: -37.195 tors. eta vs tors. theta energy: -42.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -648.508821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.508821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.508821 (E_RNA) where: Base-Base interactions energy: -386.671 where: short stacking energy: -178.299 Base-Backbone interact. energy: -2.924 local terms energy: -258.913346 where: bonds (distance) C4'-P energy: -57.656 bonds (distance) P-C4' energy: -87.041 flat angles C4'-P-C4' energy: -54.764 flat angles P-C4'-P energy: -41.168 tors. eta vs tors. theta energy: -18.284 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: 394 Temperature: 1.350000 Total energy: -630.299523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.299523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.299523 (E_RNA) where: Base-Base interactions energy: -328.294 where: short stacking energy: -174.266 Base-Backbone interact. energy: -2.052 local terms energy: -299.953792 where: bonds (distance) C4'-P energy: -70.763 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -78.889 flat angles P-C4'-P energy: -44.540 tors. eta vs tors. theta energy: -30.368 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: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1528.360933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.360933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.360933 (E_RNA) where: Base-Base interactions energy: -1105.834 where: short stacking energy: -436.190 Base-Backbone interact. energy: -0.231 local terms energy: -422.296203 where: bonds (distance) C4'-P energy: -73.246 bonds (distance) P-C4' energy: -73.882 flat angles C4'-P-C4' energy: -102.330 flat angles P-C4'-P energy: -61.967 tors. eta vs tors. theta energy: -110.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1491.820440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.820440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.820440 (E_RNA) where: Base-Base interactions energy: -1069.964 where: short stacking energy: -417.835 Base-Backbone interact. energy: -0.342 local terms energy: -421.514572 where: bonds (distance) C4'-P energy: -71.454 bonds (distance) P-C4' energy: -74.308 flat angles C4'-P-C4' energy: -95.941 flat angles P-C4'-P energy: -58.815 tors. eta vs tors. theta energy: -120.998 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: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1411.841925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.841925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.841925 (E_RNA) where: Base-Base interactions energy: -977.242 where: short stacking energy: -399.327 Base-Backbone interact. energy: -3.905 local terms energy: -430.694240 where: bonds (distance) C4'-P energy: -84.917 bonds (distance) P-C4' energy: -78.304 flat angles C4'-P-C4' energy: -91.533 flat angles P-C4'-P energy: -60.395 tors. eta vs tors. theta energy: -115.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1335.307934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.307934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.307934 (E_RNA) where: Base-Base interactions energy: -928.175 where: short stacking energy: -409.297 Base-Backbone interact. energy: -2.638 local terms energy: -404.494587 where: bonds (distance) C4'-P energy: -77.231 bonds (distance) P-C4' energy: -66.322 flat angles C4'-P-C4' energy: -91.417 flat angles P-C4'-P energy: -59.081 tors. eta vs tors. theta energy: -110.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1328.484652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.484652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.484652 (E_RNA) where: Base-Base interactions energy: -903.591 where: short stacking energy: -376.558 Base-Backbone interact. energy: -0.872 local terms energy: -424.021081 where: bonds (distance) C4'-P energy: -80.802 bonds (distance) P-C4' energy: -85.616 flat angles C4'-P-C4' energy: -91.846 flat angles P-C4'-P energy: -50.063 tors. eta vs tors. theta energy: -115.695 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: 395 Temperature: 1.150000 Total energy: -1238.963774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.963774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.963774 (E_RNA) where: Base-Base interactions energy: -853.695 where: short stacking energy: -357.336 Base-Backbone interact. energy: 0.267 local terms energy: -385.535551 where: bonds (distance) C4'-P energy: -74.689 bonds (distance) P-C4' energy: -81.772 flat angles C4'-P-C4' energy: -75.225 flat angles P-C4'-P energy: -61.784 tors. eta vs tors. theta energy: -92.066 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: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1099.191497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.191497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.191497 (E_RNA) where: Base-Base interactions energy: -743.627 where: short stacking energy: -315.035 Base-Backbone interact. energy: 1.062 local terms energy: -356.626484 where: bonds (distance) C4'-P energy: -73.161 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -84.754 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -70.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -867.747103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.747103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.747103 (E_RNA) where: Base-Base interactions energy: -565.563 where: short stacking energy: -253.041 Base-Backbone interact. energy: 0.989 local terms energy: -303.173162 where: bonds (distance) C4'-P energy: -66.597 bonds (distance) P-C4' energy: -80.144 flat angles C4'-P-C4' energy: -49.614 flat angles P-C4'-P energy: -58.269 tors. eta vs tors. theta energy: -48.550 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: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -661.450072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.450072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.450072 (E_RNA) where: Base-Base interactions energy: -375.957 where: short stacking energy: -199.667 Base-Backbone interact. energy: -1.733 local terms energy: -283.759652 where: bonds (distance) C4'-P energy: -56.371 bonds (distance) P-C4' energy: -70.704 flat angles C4'-P-C4' energy: -83.678 flat angles P-C4'-P energy: -39.028 tors. eta vs tors. theta energy: -33.978 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: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -568.215780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.215780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.215780 (E_RNA) where: Base-Base interactions energy: -304.269 where: short stacking energy: -181.518 Base-Backbone interact. energy: 2.456 local terms energy: -266.403203 where: bonds (distance) C4'-P energy: -65.592 bonds (distance) P-C4' energy: -76.143 flat angles C4'-P-C4' energy: -62.124 flat angles P-C4'-P energy: -37.875 tors. eta vs tors. theta energy: -24.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1516.374248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.374248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.374248 (E_RNA) where: Base-Base interactions energy: -1067.602 where: short stacking energy: -436.077 Base-Backbone interact. energy: -1.042 local terms energy: -447.729843 where: bonds (distance) C4'-P energy: -86.580 bonds (distance) P-C4' energy: -82.472 flat angles C4'-P-C4' energy: -93.887 flat angles P-C4'-P energy: -62.342 tors. eta vs tors. theta energy: -122.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1503.263945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.263945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.263945 (E_RNA) where: Base-Base interactions energy: -1079.273 where: short stacking energy: -433.489 Base-Backbone interact. energy: -0.933 local terms energy: -423.058416 where: bonds (distance) C4'-P energy: -81.698 bonds (distance) P-C4' energy: -78.872 flat angles C4'-P-C4' energy: -88.033 flat angles P-C4'-P energy: -61.614 tors. eta vs tors. theta energy: -112.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1401.731765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.731765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.731765 (E_RNA) where: Base-Base interactions energy: -957.112 where: short stacking energy: -409.370 Base-Backbone interact. energy: -0.476 local terms energy: -444.143626 where: bonds (distance) C4'-P energy: -84.224 bonds (distance) P-C4' energy: -92.455 flat angles C4'-P-C4' energy: -87.173 flat angles P-C4'-P energy: -66.202 tors. eta vs tors. theta energy: -114.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1334.113648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.113648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.113648 (E_RNA) where: Base-Base interactions energy: -943.733 where: short stacking energy: -389.721 Base-Backbone interact. energy: -2.150 local terms energy: -388.230523 where: bonds (distance) C4'-P energy: -47.775 bonds (distance) P-C4' energy: -83.000 flat angles C4'-P-C4' energy: -95.619 flat angles P-C4'-P energy: -50.396 tors. eta vs tors. theta energy: -111.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1317.549388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.549388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.549388 (E_RNA) where: Base-Base interactions energy: -896.480 where: short stacking energy: -394.503 Base-Backbone interact. energy: -1.081 local terms energy: -419.988303 where: bonds (distance) C4'-P energy: -71.939 bonds (distance) P-C4' energy: -86.618 flat angles C4'-P-C4' energy: -82.424 flat angles P-C4'-P energy: -56.653 tors. eta vs tors. theta energy: -122.354 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: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1242.993410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.993410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.993410 (E_RNA) where: Base-Base interactions energy: -871.557 where: short stacking energy: -365.549 Base-Backbone interact. energy: -0.062 local terms energy: -371.374702 where: bonds (distance) C4'-P energy: -69.878 bonds (distance) P-C4' energy: -82.477 flat angles C4'-P-C4' energy: -80.834 flat angles P-C4'-P energy: -49.429 tors. eta vs tors. theta energy: -88.757 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: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1124.068397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.068397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.068397 (E_RNA) where: Base-Base interactions energy: -762.521 where: short stacking energy: -320.636 Base-Backbone interact. energy: -1.813 local terms energy: -359.734198 where: bonds (distance) C4'-P energy: -65.502 bonds (distance) P-C4' energy: -66.699 flat angles C4'-P-C4' energy: -86.920 flat angles P-C4'-P energy: -54.726 tors. eta vs tors. theta energy: -85.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -869.591813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.591813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.591813 (E_RNA) where: Base-Base interactions energy: -566.949 where: short stacking energy: -246.462 Base-Backbone interact. energy: -0.698 local terms energy: -301.944813 where: bonds (distance) C4'-P energy: -68.449 bonds (distance) P-C4' energy: -60.763 flat angles C4'-P-C4' energy: -69.077 flat angles P-C4'-P energy: -42.649 tors. eta vs tors. theta energy: -61.006 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: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -645.224287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.224287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.224287 (E_RNA) where: Base-Base interactions energy: -354.111 where: short stacking energy: -178.804 Base-Backbone interact. energy: 1.156 local terms energy: -292.269258 where: bonds (distance) C4'-P energy: -77.882 bonds (distance) P-C4' energy: -63.739 flat angles C4'-P-C4' energy: -74.978 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -19.367 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: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -563.723917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.723917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.723917 (E_RNA) where: Base-Base interactions energy: -333.195 where: short stacking energy: -178.677 Base-Backbone interact. energy: 4.132 local terms energy: -234.661535 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -64.852 flat angles C4'-P-C4' energy: -63.271 flat angles P-C4'-P energy: -18.372 tors. eta vs tors. theta energy: -25.102 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: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1538.908537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.908537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.908537 (E_RNA) where: Base-Base interactions energy: -1092.394 where: short stacking energy: -433.248 Base-Backbone interact. energy: -1.926 local terms energy: -444.905097 where: bonds (distance) C4'-P energy: -80.384 bonds (distance) P-C4' energy: -81.580 flat angles C4'-P-C4' energy: -95.776 flat angles P-C4'-P energy: -67.092 tors. eta vs tors. theta energy: -120.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.316 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1480.749395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.749395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.749395 (E_RNA) where: Base-Base interactions energy: -1049.743 where: short stacking energy: -421.455 Base-Backbone interact. energy: -0.474 local terms energy: -430.532443 where: bonds (distance) C4'-P energy: -78.890 bonds (distance) P-C4' energy: -87.198 flat angles C4'-P-C4' energy: -93.588 flat angles P-C4'-P energy: -56.723 tors. eta vs tors. theta energy: -114.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1421.125097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.125097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.125097 (E_RNA) where: Base-Base interactions energy: -990.900 where: short stacking energy: -438.201 Base-Backbone interact. energy: -1.942 local terms energy: -428.282928 where: bonds (distance) C4'-P energy: -80.226 bonds (distance) P-C4' energy: -73.050 flat angles C4'-P-C4' energy: -93.439 flat angles P-C4'-P energy: -60.817 tors. eta vs tors. theta energy: -120.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1346.709426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.709426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.709426 (E_RNA) where: Base-Base interactions energy: -927.754 where: short stacking energy: -389.168 Base-Backbone interact. energy: -4.195 local terms energy: -414.761229 where: bonds (distance) C4'-P energy: -79.942 bonds (distance) P-C4' energy: -80.967 flat angles C4'-P-C4' energy: -79.697 flat angles P-C4'-P energy: -56.185 tors. eta vs tors. theta energy: -117.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1301.002676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.002676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.002676 (E_RNA) where: Base-Base interactions energy: -905.713 where: short stacking energy: -390.884 Base-Backbone interact. energy: -1.118 local terms energy: -394.171340 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: -113.714 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: 397 Temperature: 1.150000 Total energy: -1243.084044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.084044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.084044 (E_RNA) where: Base-Base interactions energy: -874.677 where: short stacking energy: -370.406 Base-Backbone interact. energy: -0.753 local terms energy: -367.653836 where: bonds (distance) C4'-P energy: -45.393 bonds (distance) P-C4' energy: -64.738 flat angles C4'-P-C4' energy: -91.883 flat angles P-C4'-P energy: -53.782 tors. eta vs tors. theta energy: -111.858 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: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1096.105033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.105033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.105033 (E_RNA) where: Base-Base interactions energy: -742.434 where: short stacking energy: -327.026 Base-Backbone interact. energy: -1.765 local terms energy: -351.906028 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -62.211 flat angles C4'-P-C4' energy: -92.248 flat angles P-C4'-P energy: -47.791 tors. eta vs tors. theta energy: -81.959 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: 397 Temperature: 1.250000 Total energy: -830.100010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.100010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.100010 (E_RNA) where: Base-Base interactions energy: -532.348 where: short stacking energy: -231.859 Base-Backbone interact. energy: 0.044 local terms energy: -297.795570 where: bonds (distance) C4'-P energy: -82.251 bonds (distance) P-C4' energy: -64.792 flat angles C4'-P-C4' energy: -59.642 flat angles P-C4'-P energy: -42.417 tors. eta vs tors. theta energy: -48.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -629.172912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.172912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.172912 (E_RNA) where: Base-Base interactions energy: -375.807 where: short stacking energy: -192.240 Base-Backbone interact. energy: -1.237 local terms energy: -252.128958 where: bonds (distance) C4'-P energy: -64.136 bonds (distance) P-C4' energy: -72.051 flat angles C4'-P-C4' energy: -64.455 flat angles P-C4'-P energy: -35.210 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: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -535.030349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.030349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.030349 (E_RNA) where: Base-Base interactions energy: -312.804 where: short stacking energy: -158.757 Base-Backbone interact. energy: 1.239 local terms energy: -223.465379 where: bonds (distance) C4'-P energy: -60.039 bonds (distance) P-C4' energy: -62.171 flat angles C4'-P-C4' energy: -64.133 flat angles P-C4'-P energy: -37.428 tors. eta vs tors. theta energy: 0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1534.643525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.643525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.643525 (E_RNA) where: Base-Base interactions energy: -1083.808 where: short stacking energy: -426.879 Base-Backbone interact. energy: -2.594 local terms energy: -448.241279 where: bonds (distance) C4'-P energy: -91.805 bonds (distance) P-C4' energy: -78.392 flat angles C4'-P-C4' energy: -94.941 flat angles P-C4'-P energy: -59.724 tors. eta vs tors. theta energy: -123.380 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: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1504.922889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.922889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.922889 (E_RNA) where: Base-Base interactions energy: -1085.175 where: short stacking energy: -420.830 Base-Backbone interact. energy: -0.850 local terms energy: -418.897248 where: bonds (distance) C4'-P energy: -65.148 bonds (distance) P-C4' energy: -88.296 flat angles C4'-P-C4' energy: -90.624 flat angles P-C4'-P energy: -58.416 tors. eta vs tors. theta energy: -116.414 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: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1372.900606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.900606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.900606 (E_RNA) where: Base-Base interactions energy: -935.726 where: short stacking energy: -400.411 Base-Backbone interact. energy: 0.473 local terms energy: -437.647755 where: bonds (distance) C4'-P energy: -90.867 bonds (distance) P-C4' energy: -85.072 flat angles C4'-P-C4' energy: -95.734 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -111.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1394.092330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.092330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.092330 (E_RNA) where: Base-Base interactions energy: -958.053 where: short stacking energy: -400.455 Base-Backbone interact. energy: -0.499 local terms energy: -435.540974 where: bonds (distance) C4'-P energy: -88.111 bonds (distance) P-C4' energy: -85.820 flat angles C4'-P-C4' energy: -90.190 flat angles P-C4'-P energy: -63.003 tors. eta vs tors. theta energy: -108.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1296.454217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.454217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.454217 (E_RNA) where: Base-Base interactions energy: -889.332 where: short stacking energy: -352.124 Base-Backbone interact. energy: -3.085 local terms energy: -404.037683 where: bonds (distance) C4'-P energy: -77.053 bonds (distance) P-C4' energy: -77.534 flat angles C4'-P-C4' energy: -91.750 flat angles P-C4'-P energy: -57.732 tors. eta vs tors. theta energy: -99.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1274.058793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.058793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.058793 (E_RNA) where: Base-Base interactions energy: -876.600 where: short stacking energy: -369.540 Base-Backbone interact. energy: -0.801 local terms energy: -396.657480 where: bonds (distance) C4'-P energy: -81.893 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -76.120 flat angles P-C4'-P energy: -58.070 tors. eta vs tors. theta energy: -105.943 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: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1091.800749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.800749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.800749 (E_RNA) where: Base-Base interactions energy: -747.474 where: short stacking energy: -349.540 Base-Backbone interact. energy: -0.969 local terms energy: -343.358016 where: bonds (distance) C4'-P energy: -70.655 bonds (distance) P-C4' energy: -56.885 flat angles C4'-P-C4' energy: -82.589 flat angles P-C4'-P energy: -51.872 tors. eta vs tors. theta energy: -81.358 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: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -892.488087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.488087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.488087 (E_RNA) where: Base-Base interactions energy: -575.707 where: short stacking energy: -267.246 Base-Backbone interact. energy: 2.930 local terms energy: -319.711008 where: bonds (distance) C4'-P energy: -59.582 bonds (distance) P-C4' energy: -75.224 flat angles C4'-P-C4' energy: -80.823 flat angles P-C4'-P energy: -60.864 tors. eta vs tors. theta energy: -43.218 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: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -597.852968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.852968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.852968 (E_RNA) where: Base-Base interactions energy: -345.918 where: short stacking energy: -183.608 Base-Backbone interact. energy: -0.721 local terms energy: -251.213710 where: bonds (distance) C4'-P energy: -64.189 bonds (distance) P-C4' energy: -73.995 flat angles C4'-P-C4' energy: -62.379 flat angles P-C4'-P energy: -34.034 tors. eta vs tors. theta energy: -16.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -622.289592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.289592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.289592 (E_RNA) where: Base-Base interactions energy: -358.794 where: short stacking energy: -185.219 Base-Backbone interact. energy: 2.354 local terms energy: -265.848940 where: bonds (distance) C4'-P energy: -71.042 bonds (distance) P-C4' energy: -69.830 flat angles C4'-P-C4' energy: -67.676 flat angles P-C4'-P energy: -37.531 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: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1517.492737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.492737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.492737 (E_RNA) where: Base-Base interactions energy: -1081.904 where: short stacking energy: -420.323 Base-Backbone interact. energy: -3.627 local terms energy: -431.961897 where: bonds (distance) C4'-P energy: -82.267 bonds (distance) P-C4' energy: -77.151 flat angles C4'-P-C4' energy: -100.302 flat angles P-C4'-P energy: -53.488 tors. eta vs tors. theta energy: -118.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1494.503084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.503084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.503084 (E_RNA) where: Base-Base interactions energy: -1068.877 where: short stacking energy: -425.440 Base-Backbone interact. energy: -0.988 local terms energy: -424.637869 where: bonds (distance) C4'-P energy: -70.416 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -93.361 flat angles P-C4'-P energy: -67.118 tors. eta vs tors. theta energy: -124.115 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: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1365.901539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.901539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.901539 (E_RNA) where: Base-Base interactions energy: -936.378 where: short stacking energy: -391.935 Base-Backbone interact. energy: -2.383 local terms energy: -427.140743 where: bonds (distance) C4'-P energy: -80.314 bonds (distance) P-C4' energy: -89.313 flat angles C4'-P-C4' energy: -85.974 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: -117.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1394.796351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.796351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.796351 (E_RNA) where: Base-Base interactions energy: -959.383 where: short stacking energy: -412.950 Base-Backbone interact. energy: -3.220 local terms energy: -432.192677 where: bonds (distance) C4'-P energy: -79.517 bonds (distance) P-C4' energy: -79.957 flat angles C4'-P-C4' energy: -95.481 flat angles P-C4'-P energy: -57.780 tors. eta vs tors. theta energy: -119.457 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: 399 Temperature: 1.100000 Total energy: -1271.560474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.560474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.560474 (E_RNA) where: Base-Base interactions energy: -876.141 where: short stacking energy: -364.943 Base-Backbone interact. energy: -2.452 local terms energy: -393.427832 where: bonds (distance) C4'-P energy: -89.395 bonds (distance) P-C4' energy: -74.180 flat angles C4'-P-C4' energy: -79.942 flat angles P-C4'-P energy: -55.164 tors. eta vs tors. theta energy: -94.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.460 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1233.783056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.783056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.783056 (E_RNA) where: Base-Base interactions energy: -836.992 where: short stacking energy: -367.276 Base-Backbone interact. energy: 3.128 local terms energy: -399.919608 where: bonds (distance) C4'-P energy: -76.088 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -91.358 flat angles P-C4'-P energy: -54.490 tors. eta vs tors. theta energy: -89.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1069.569511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.569511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.569511 (E_RNA) where: Base-Base interactions energy: -729.220 where: short stacking energy: -330.069 Base-Backbone interact. energy: -1.694 local terms energy: -338.655021 where: bonds (distance) C4'-P energy: -67.586 bonds (distance) P-C4' energy: -66.017 flat angles C4'-P-C4' energy: -72.174 flat angles P-C4'-P energy: -57.542 tors. eta vs tors. theta energy: -75.336 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: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -876.811843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.811843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.811843 (E_RNA) where: Base-Base interactions energy: -573.500 where: short stacking energy: -255.460 Base-Backbone interact. energy: 0.553 local terms energy: -303.864539 where: bonds (distance) C4'-P energy: -78.589 bonds (distance) P-C4' energy: -82.580 flat angles C4'-P-C4' energy: -57.967 flat angles P-C4'-P energy: -39.913 tors. eta vs tors. theta energy: -44.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -634.694403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.694403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.694403 (E_RNA) where: Base-Base interactions energy: -352.545 where: short stacking energy: -182.104 Base-Backbone interact. energy: -1.104 local terms energy: -281.044826 where: bonds (distance) C4'-P energy: -70.230 bonds (distance) P-C4' energy: -73.771 flat angles C4'-P-C4' energy: -63.272 flat angles P-C4'-P energy: -45.515 tors. eta vs tors. theta energy: -28.257 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: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -662.370156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.370156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.370156 (E_RNA) where: Base-Base interactions energy: -394.002 where: short stacking energy: -203.068 Base-Backbone interact. energy: 0.597 local terms energy: -268.965441 where: bonds (distance) C4'-P energy: -61.626 bonds (distance) P-C4' energy: -67.612 flat angles C4'-P-C4' energy: -69.675 flat angles P-C4'-P energy: -47.282 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: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1524.238301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.238301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.238301 (E_RNA) where: Base-Base interactions energy: -1081.403 where: short stacking energy: -434.856 Base-Backbone interact. energy: -0.686 local terms energy: -442.704747 where: bonds (distance) C4'-P energy: -78.634 bonds (distance) P-C4' energy: -88.854 flat angles C4'-P-C4' energy: -87.495 flat angles P-C4'-P energy: -61.150 tors. eta vs tors. theta energy: -126.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.555 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1493.565231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.565231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.565231 (E_RNA) where: Base-Base interactions energy: -1087.913 where: short stacking energy: -432.859 Base-Backbone interact. energy: -1.804 local terms energy: -403.847882 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -65.256 flat angles C4'-P-C4' energy: -89.921 flat angles P-C4'-P energy: -55.623 tors. eta vs tors. theta energy: -115.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1425.320290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.320290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.320290 (E_RNA) where: Base-Base interactions energy: -974.270 where: short stacking energy: -421.462 Base-Backbone interact. energy: -0.112 local terms energy: -450.937763 where: bonds (distance) C4'-P energy: -84.618 bonds (distance) P-C4' energy: -86.844 flat angles C4'-P-C4' energy: -84.382 flat angles P-C4'-P energy: -70.790 tors. eta vs tors. theta energy: -124.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1346.457022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.457022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.457022 (E_RNA) where: Base-Base interactions energy: -922.898 where: short stacking energy: -381.714 Base-Backbone interact. energy: -2.854 local terms energy: -420.705095 where: bonds (distance) C4'-P energy: -82.260 bonds (distance) P-C4' energy: -82.451 flat angles C4'-P-C4' energy: -89.243 flat angles P-C4'-P energy: -58.354 tors. eta vs tors. theta energy: -108.395 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: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1262.866017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.866017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.866017 (E_RNA) where: Base-Base interactions energy: -873.077 where: short stacking energy: -373.952 Base-Backbone interact. energy: 1.177 local terms energy: -390.966751 where: bonds (distance) C4'-P energy: -68.667 bonds (distance) P-C4' energy: -82.616 flat angles C4'-P-C4' energy: -87.792 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -96.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1242.096296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.096296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.096296 (E_RNA) where: Base-Base interactions energy: -849.956 where: short stacking energy: -355.965 Base-Backbone interact. energy: 0.135 local terms energy: -393.516429 where: bonds (distance) C4'-P energy: -69.472 bonds (distance) P-C4' energy: -75.656 flat angles C4'-P-C4' energy: -86.077 flat angles P-C4'-P energy: -62.555 tors. eta vs tors. theta energy: -99.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.241 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1071.353402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.353402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.353402 (E_RNA) where: Base-Base interactions energy: -723.873 where: short stacking energy: -335.916 Base-Backbone interact. energy: -1.619 local terms energy: -345.860677 where: bonds (distance) C4'-P energy: -57.001 bonds (distance) P-C4' energy: -71.919 flat angles C4'-P-C4' energy: -86.093 flat angles P-C4'-P energy: -47.138 tors. eta vs tors. theta energy: -83.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -894.375036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.375036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.375036 (E_RNA) where: Base-Base interactions energy: -583.407 where: short stacking energy: -264.084 Base-Backbone interact. energy: -0.735 local terms energy: -310.233069 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -60.177 flat angles C4'-P-C4' energy: -63.247 flat angles P-C4'-P energy: -58.419 tors. eta vs tors. theta energy: -51.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -659.281984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.281984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.281984 (E_RNA) where: Base-Base interactions energy: -364.829 where: short stacking energy: -164.829 Base-Backbone interact. energy: 1.201 local terms energy: -295.654538 where: bonds (distance) C4'-P energy: -66.107 bonds (distance) P-C4' energy: -74.775 flat angles C4'-P-C4' energy: -75.323 flat angles P-C4'-P energy: -41.385 tors. eta vs tors. theta energy: -38.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -568.062108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.062108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.062108 (E_RNA) where: Base-Base interactions energy: -324.494 where: short stacking energy: -154.833 Base-Backbone interact. energy: -0.010 local terms energy: -243.558372 where: bonds (distance) C4'-P energy: -68.313 bonds (distance) P-C4' energy: -51.689 flat angles C4'-P-C4' energy: -63.553 flat angles P-C4'-P energy: -31.969 tors. eta vs tors. theta energy: -28.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1522.777703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.777703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.777703 (E_RNA) where: Base-Base interactions energy: -1081.514 where: short stacking energy: -432.113 Base-Backbone interact. energy: -0.565 local terms energy: -441.146937 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -76.314 flat angles C4'-P-C4' energy: -85.610 flat angles P-C4'-P energy: -63.686 tors. eta vs tors. theta energy: -126.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.448 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1432.692599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.692599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.692599 (E_RNA) where: Base-Base interactions energy: -988.188 where: short stacking energy: -423.775 Base-Backbone interact. energy: -1.860 local terms energy: -442.644389 where: bonds (distance) C4'-P energy: -76.601 bonds (distance) P-C4' energy: -85.150 flat angles C4'-P-C4' energy: -95.407 flat angles P-C4'-P energy: -62.893 tors. eta vs tors. theta energy: -122.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1440.438007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.438007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.438007 (E_RNA) where: Base-Base interactions energy: -1012.064 where: short stacking energy: -402.729 Base-Backbone interact. energy: -2.837 local terms energy: -425.536296 where: bonds (distance) C4'-P energy: -86.146 bonds (distance) P-C4' energy: -75.710 flat angles C4'-P-C4' energy: -89.038 flat angles P-C4'-P energy: -65.439 tors. eta vs tors. theta energy: -109.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1332.220516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.220516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.220516 (E_RNA) where: Base-Base interactions energy: -911.056 where: short stacking energy: -401.720 Base-Backbone interact. energy: -0.490 local terms energy: -420.674620 where: bonds (distance) C4'-P energy: -78.608 bonds (distance) P-C4' energy: -78.441 flat angles C4'-P-C4' energy: -86.814 flat angles P-C4'-P energy: -60.837 tors. eta vs tors. theta energy: -115.974 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: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1303.535727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.535727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.535727 (E_RNA) where: Base-Base interactions energy: -918.294 where: short stacking energy: -383.725 Base-Backbone interact. energy: -1.203 local terms energy: -384.038347 where: bonds (distance) C4'-P energy: -69.864 bonds (distance) P-C4' energy: -74.284 flat angles C4'-P-C4' energy: -90.830 flat angles P-C4'-P energy: -51.987 tors. eta vs tors. theta energy: -97.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1226.451228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.451228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.451228 (E_RNA) where: Base-Base interactions energy: -846.359 where: short stacking energy: -353.146 Base-Backbone interact. energy: -0.949 local terms energy: -379.381448 where: bonds (distance) C4'-P energy: -76.614 bonds (distance) P-C4' energy: -74.572 flat angles C4'-P-C4' energy: -81.447 flat angles P-C4'-P energy: -47.988 tors. eta vs tors. theta energy: -98.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.239 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1043.652861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.652861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.652861 (E_RNA) where: Base-Base interactions energy: -672.666 where: short stacking energy: -293.053 Base-Backbone interact. energy: -1.333 local terms energy: -369.654144 where: bonds (distance) C4'-P energy: -87.227 bonds (distance) P-C4' energy: -71.475 flat angles C4'-P-C4' energy: -78.054 flat angles P-C4'-P energy: -52.967 tors. eta vs tors. theta energy: -79.930 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: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -892.025168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.025168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.025168 (E_RNA) where: Base-Base interactions energy: -577.987 where: short stacking energy: -241.045 Base-Backbone interact. energy: 0.835 local terms energy: -314.873149 where: bonds (distance) C4'-P energy: -61.137 bonds (distance) P-C4' energy: -79.076 flat angles C4'-P-C4' energy: -83.293 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: -44.536 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: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -659.962905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.962905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.962905 (E_RNA) where: Base-Base interactions energy: -399.034 where: short stacking energy: -195.509 Base-Backbone interact. energy: -0.188 local terms energy: -260.741619 where: bonds (distance) C4'-P energy: -60.897 bonds (distance) P-C4' energy: -78.935 flat angles C4'-P-C4' energy: -65.513 flat angles P-C4'-P energy: -38.149 tors. eta vs tors. theta energy: -17.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -607.930211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.930211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.930211 (E_RNA) where: Base-Base interactions energy: -342.347 where: short stacking energy: -170.247 Base-Backbone interact. energy: -2.075 local terms energy: -263.508998 where: bonds (distance) C4'-P energy: -77.934 bonds (distance) P-C4' energy: -65.027 flat angles C4'-P-C4' energy: -59.981 flat angles P-C4'-P energy: -42.159 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: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1546.574486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.574486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.574486 (E_RNA) where: Base-Base interactions energy: -1102.525 where: short stacking energy: -437.372 Base-Backbone interact. energy: -4.594 local terms energy: -439.455420 where: bonds (distance) C4'-P energy: -89.342 bonds (distance) P-C4' energy: -78.267 flat angles C4'-P-C4' energy: -90.360 flat angles P-C4'-P energy: -53.290 tors. eta vs tors. theta energy: -128.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1430.664907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.664907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.664907 (E_RNA) where: Base-Base interactions energy: -985.845 where: short stacking energy: -437.727 Base-Backbone interact. energy: -2.726 local terms energy: -442.093376 where: bonds (distance) C4'-P energy: -81.830 bonds (distance) P-C4' energy: -68.251 flat angles C4'-P-C4' energy: -94.091 flat angles P-C4'-P energy: -77.945 tors. eta vs tors. theta energy: -119.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1461.489935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.489935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.489935 (E_RNA) where: Base-Base interactions energy: -1024.287 where: short stacking energy: -431.912 Base-Backbone interact. energy: -0.515 local terms energy: -436.687958 where: bonds (distance) C4'-P energy: -74.318 bonds (distance) P-C4' energy: -88.163 flat angles C4'-P-C4' energy: -92.650 flat angles P-C4'-P energy: -62.310 tors. eta vs tors. theta energy: -119.247 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: 402 Temperature: 1.050000 Total energy: -1312.088141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.088141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.088141 (E_RNA) where: Base-Base interactions energy: -920.463 where: short stacking energy: -400.416 Base-Backbone interact. energy: 0.563 local terms energy: -392.187475 where: bonds (distance) C4'-P energy: -69.769 bonds (distance) P-C4' energy: -72.516 flat angles C4'-P-C4' energy: -78.007 flat angles P-C4'-P energy: -64.021 tors. eta vs tors. theta energy: -107.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1321.556904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.556904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.556904 (E_RNA) where: Base-Base interactions energy: -935.065 where: short stacking energy: -397.418 Base-Backbone interact. energy: -0.617 local terms energy: -385.874831 where: bonds (distance) C4'-P energy: -68.470 bonds (distance) P-C4' energy: -62.898 flat angles C4'-P-C4' energy: -84.276 flat angles P-C4'-P energy: -57.954 tors. eta vs tors. theta energy: -112.277 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: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1221.426668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.426668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.426668 (E_RNA) where: Base-Base interactions energy: -851.553 where: short stacking energy: -346.981 Base-Backbone interact. energy: -0.864 local terms energy: -369.009339 where: bonds (distance) C4'-P energy: -67.311 bonds (distance) P-C4' energy: -81.554 flat angles C4'-P-C4' energy: -82.821 flat angles P-C4'-P energy: -50.213 tors. eta vs tors. theta energy: -87.109 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: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1057.601981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.601981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.601981 (E_RNA) where: Base-Base interactions energy: -690.825 where: short stacking energy: -316.878 Base-Backbone interact. energy: 1.107 local terms energy: -367.884112 where: bonds (distance) C4'-P energy: -68.564 bonds (distance) P-C4' energy: -66.881 flat angles C4'-P-C4' energy: -87.361 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -80.450 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: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -932.508016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.508016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.508016 (E_RNA) where: Base-Base interactions energy: -628.216 where: short stacking energy: -291.909 Base-Backbone interact. energy: -1.644 local terms energy: -302.695238 where: bonds (distance) C4'-P energy: -55.109 bonds (distance) P-C4' energy: -71.634 flat angles C4'-P-C4' energy: -56.155 flat angles P-C4'-P energy: -50.095 tors. eta vs tors. theta energy: -69.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.048 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -779.142976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.142976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.142976 (E_RNA) where: Base-Base interactions energy: -483.612 where: short stacking energy: -225.524 Base-Backbone interact. energy: 2.378 local terms energy: -297.909260 where: bonds (distance) C4'-P energy: -65.148 bonds (distance) P-C4' energy: -82.335 flat angles C4'-P-C4' energy: -72.130 flat angles P-C4'-P energy: -33.659 tors. eta vs tors. theta energy: -44.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -585.760279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.760279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.760279 (E_RNA) where: Base-Base interactions energy: -308.671 where: short stacking energy: -179.720 Base-Backbone interact. energy: -0.639 local terms energy: -276.450744 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -75.322 flat angles C4'-P-C4' energy: -72.084 flat angles P-C4'-P energy: -42.720 tors. eta vs tors. theta energy: -13.766 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: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1544.944365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.944365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.944365 (E_RNA) where: Base-Base interactions energy: -1086.467 where: short stacking energy: -441.009 Base-Backbone interact. energy: -1.514 local terms energy: -456.963343 where: bonds (distance) C4'-P energy: -92.533 bonds (distance) P-C4' energy: -80.827 flat angles C4'-P-C4' energy: -97.185 flat angles P-C4'-P energy: -58.592 tors. eta vs tors. theta energy: -127.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1479.180357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.180357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.180357 (E_RNA) where: Base-Base interactions energy: -1057.166 where: short stacking energy: -422.645 Base-Backbone interact. energy: -3.758 local terms energy: -418.256246 where: bonds (distance) C4'-P energy: -77.945 bonds (distance) P-C4' energy: -77.133 flat angles C4'-P-C4' energy: -86.249 flat angles P-C4'-P energy: -58.257 tors. eta vs tors. theta energy: -118.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1379.704211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.704211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.704211 (E_RNA) where: Base-Base interactions energy: -969.268 where: short stacking energy: -416.477 Base-Backbone interact. energy: 2.213 local terms energy: -412.649337 where: bonds (distance) C4'-P energy: -75.403 bonds (distance) P-C4' energy: -69.224 flat angles C4'-P-C4' energy: -94.704 flat angles P-C4'-P energy: -64.815 tors. eta vs tors. theta energy: -108.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1291.788158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.788158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.788158 (E_RNA) where: Base-Base interactions energy: -882.557 where: short stacking energy: -375.615 Base-Backbone interact. energy: -0.483 local terms energy: -408.748410 where: bonds (distance) C4'-P energy: -79.303 bonds (distance) P-C4' energy: -85.467 flat angles C4'-P-C4' energy: -95.267 flat angles P-C4'-P energy: -60.827 tors. eta vs tors. theta energy: -87.885 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: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1293.387173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.387173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.387173 (E_RNA) where: Base-Base interactions energy: -899.050 where: short stacking energy: -379.752 Base-Backbone interact. energy: -1.968 local terms energy: -392.369016 where: bonds (distance) C4'-P energy: -66.769 bonds (distance) P-C4' energy: -81.531 flat angles C4'-P-C4' energy: -80.789 flat angles P-C4'-P energy: -67.506 tors. eta vs tors. theta energy: -95.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1220.037541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.037541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.037541 (E_RNA) where: Base-Base interactions energy: -828.503 where: short stacking energy: -363.086 Base-Backbone interact. energy: 0.915 local terms energy: -392.450072 where: bonds (distance) C4'-P energy: -85.042 bonds (distance) P-C4' energy: -75.111 flat angles C4'-P-C4' energy: -89.999 flat angles P-C4'-P energy: -49.887 tors. eta vs tors. theta energy: -92.411 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: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1089.148480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.148480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.148480 (E_RNA) where: Base-Base interactions energy: -726.432 where: short stacking energy: -349.036 Base-Backbone interact. energy: 2.516 local terms energy: -365.232252 where: bonds (distance) C4'-P energy: -77.518 bonds (distance) P-C4' energy: -67.589 flat angles C4'-P-C4' energy: -85.736 flat angles P-C4'-P energy: -47.047 tors. eta vs tors. theta energy: -87.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -908.607771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.607771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.607771 (E_RNA) where: Base-Base interactions energy: -614.606 where: short stacking energy: -268.820 Base-Backbone interact. energy: 1.989 local terms energy: -296.318002 where: bonds (distance) C4'-P energy: -61.701 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -65.270 flat angles P-C4'-P energy: -44.980 tors. eta vs tors. theta energy: -48.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.327 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -669.507270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.507270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.507270 (E_RNA) where: Base-Base interactions energy: -422.323 where: short stacking energy: -200.215 Base-Backbone interact. energy: 0.190 local terms energy: -247.374966 where: bonds (distance) C4'-P energy: -53.900 bonds (distance) P-C4' energy: -66.198 flat angles C4'-P-C4' energy: -69.417 flat angles P-C4'-P energy: -34.836 tors. eta vs tors. theta energy: -23.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -586.265153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.265153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.265153 (E_RNA) where: Base-Base interactions energy: -319.791 where: short stacking energy: -158.277 Base-Backbone interact. energy: -2.320 local terms energy: -264.153478 where: bonds (distance) C4'-P energy: -68.705 bonds (distance) P-C4' energy: -72.300 flat angles C4'-P-C4' energy: -73.007 flat angles P-C4'-P energy: -43.090 tors. eta vs tors. theta energy: -7.052 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: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1502.827428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.827428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.827428 (E_RNA) where: Base-Base interactions energy: -1045.006 where: short stacking energy: -408.726 Base-Backbone interact. energy: -1.824 local terms energy: -455.997234 where: bonds (distance) C4'-P energy: -92.393 bonds (distance) P-C4' energy: -82.880 flat angles C4'-P-C4' energy: -96.405 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -116.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1514.796858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.796858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.796858 (E_RNA) where: Base-Base interactions energy: -1072.597 where: short stacking energy: -426.241 Base-Backbone interact. energy: 2.233 local terms energy: -444.433600 where: bonds (distance) C4'-P energy: -82.122 bonds (distance) P-C4' energy: -83.079 flat angles C4'-P-C4' energy: -95.638 flat angles P-C4'-P energy: -55.378 tors. eta vs tors. theta energy: -128.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1402.180862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.180862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.180862 (E_RNA) where: Base-Base interactions energy: -960.163 where: short stacking energy: -421.111 Base-Backbone interact. energy: -1.979 local terms energy: -440.039150 where: bonds (distance) C4'-P energy: -76.129 bonds (distance) P-C4' energy: -88.994 flat angles C4'-P-C4' energy: -97.050 flat angles P-C4'-P energy: -63.836 tors. eta vs tors. theta energy: -114.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1312.258941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.258941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.258941 (E_RNA) where: Base-Base interactions energy: -905.519 where: short stacking energy: -392.963 Base-Backbone interact. energy: -0.452 local terms energy: -406.287198 where: bonds (distance) C4'-P energy: -75.485 bonds (distance) P-C4' energy: -74.008 flat angles C4'-P-C4' energy: -88.579 flat angles P-C4'-P energy: -69.440 tors. eta vs tors. theta energy: -98.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1296.539452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.539452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.539452 (E_RNA) where: Base-Base interactions energy: -910.454 where: short stacking energy: -375.957 Base-Backbone interact. energy: 0.147 local terms energy: -386.232831 where: bonds (distance) C4'-P energy: -75.184 bonds (distance) P-C4' energy: -65.644 flat angles C4'-P-C4' energy: -88.835 flat angles P-C4'-P energy: -46.976 tors. eta vs tors. theta energy: -109.594 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: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1277.224292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.224292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.224292 (E_RNA) where: Base-Base interactions energy: -900.848 where: short stacking energy: -395.800 Base-Backbone interact. energy: -0.273 local terms energy: -376.103302 where: bonds (distance) C4'-P energy: -73.047 bonds (distance) P-C4' energy: -61.343 flat angles C4'-P-C4' energy: -74.605 flat angles P-C4'-P energy: -60.610 tors. eta vs tors. theta energy: -106.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1056.089681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.089681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.089681 (E_RNA) where: Base-Base interactions energy: -664.091 where: short stacking energy: -318.059 Base-Backbone interact. energy: 0.288 local terms energy: -392.287505 where: bonds (distance) C4'-P energy: -81.453 bonds (distance) P-C4' energy: -87.710 flat angles C4'-P-C4' energy: -88.776 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -85.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -902.962397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.962397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.962397 (E_RNA) where: Base-Base interactions energy: -599.410 where: short stacking energy: -260.060 Base-Backbone interact. energy: -1.156 local terms energy: -302.395756 where: bonds (distance) C4'-P energy: -67.679 bonds (distance) P-C4' energy: -61.441 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: -52.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -682.257260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.257260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.257260 (E_RNA) where: Base-Base interactions energy: -428.335 where: short stacking energy: -203.011 Base-Backbone interact. energy: -1.344 local terms energy: -252.578294 where: bonds (distance) C4'-P energy: -63.467 bonds (distance) P-C4' energy: -64.602 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -38.730 tors. eta vs tors. theta energy: -18.995 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: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -563.775065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.775065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.775065 (E_RNA) where: Base-Base interactions energy: -294.309 where: short stacking energy: -155.648 Base-Backbone interact. energy: 2.281 local terms energy: -271.746486 where: bonds (distance) C4'-P energy: -65.205 bonds (distance) P-C4' energy: -56.828 flat angles C4'-P-C4' energy: -75.081 flat angles P-C4'-P energy: -52.520 tors. eta vs tors. theta energy: -22.113 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: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1518.360439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.360439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.360439 (E_RNA) where: Base-Base interactions energy: -1071.195 where: short stacking energy: -427.595 Base-Backbone interact. energy: -4.666 local terms energy: -442.499439 where: bonds (distance) C4'-P energy: -81.146 bonds (distance) P-C4' energy: -91.028 flat angles C4'-P-C4' energy: -90.062 flat angles P-C4'-P energy: -61.762 tors. eta vs tors. theta energy: -118.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1515.257367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.257367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.257367 (E_RNA) where: Base-Base interactions energy: -1055.565 where: short stacking energy: -432.553 Base-Backbone interact. energy: 1.687 local terms energy: -461.379665 where: bonds (distance) C4'-P energy: -77.021 bonds (distance) P-C4' energy: -95.028 flat angles C4'-P-C4' energy: -99.557 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -131.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1396.873493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.873493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.873493 (E_RNA) where: Base-Base interactions energy: -980.554 where: short stacking energy: -425.402 Base-Backbone interact. energy: 1.529 local terms energy: -417.848575 where: bonds (distance) C4'-P energy: -75.493 bonds (distance) P-C4' energy: -68.457 flat angles C4'-P-C4' energy: -92.542 flat angles P-C4'-P energy: -65.618 tors. eta vs tors. theta energy: -115.737 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: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1357.639838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.639838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.639838 (E_RNA) where: Base-Base interactions energy: -958.111 where: short stacking energy: -413.437 Base-Backbone interact. energy: -1.494 local terms energy: -398.035516 where: bonds (distance) C4'-P energy: -69.685 bonds (distance) P-C4' energy: -66.360 flat angles C4'-P-C4' energy: -88.621 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: -118.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1294.433669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.433669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.433669 (E_RNA) where: Base-Base interactions energy: -916.609 where: short stacking energy: -381.784 Base-Backbone interact. energy: 1.833 local terms energy: -379.657418 where: bonds (distance) C4'-P energy: -70.567 bonds (distance) P-C4' energy: -73.047 flat angles C4'-P-C4' energy: -84.627 flat angles P-C4'-P energy: -53.764 tors. eta vs tors. theta energy: -97.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1208.218323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.218323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.218323 (E_RNA) where: Base-Base interactions energy: -808.321 where: short stacking energy: -359.507 Base-Backbone interact. energy: -3.225 local terms energy: -396.672115 where: bonds (distance) C4'-P energy: -82.793 bonds (distance) P-C4' energy: -72.297 flat angles C4'-P-C4' energy: -92.589 flat angles P-C4'-P energy: -55.515 tors. eta vs tors. theta energy: -93.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1087.768043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.768043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.768043 (E_RNA) where: Base-Base interactions energy: -725.253 where: short stacking energy: -333.057 Base-Backbone interact. energy: -2.544 local terms energy: -360.803480 where: bonds (distance) C4'-P energy: -65.100 bonds (distance) P-C4' energy: -66.907 flat angles C4'-P-C4' energy: -86.804 flat angles P-C4'-P energy: -55.651 tors. eta vs tors. theta energy: -86.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.832 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -896.334765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.334765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.334765 (E_RNA) where: Base-Base interactions energy: -605.091 where: short stacking energy: -272.854 Base-Backbone interact. energy: -1.360 local terms energy: -289.883842 where: bonds (distance) C4'-P energy: -51.449 bonds (distance) P-C4' energy: -61.482 flat angles C4'-P-C4' energy: -78.978 flat angles P-C4'-P energy: -50.216 tors. eta vs tors. theta energy: -47.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -574.178945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.178945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.178945 (E_RNA) where: Base-Base interactions energy: -313.707 where: short stacking energy: -192.290 Base-Backbone interact. energy: 0.409 local terms energy: -260.880488 where: bonds (distance) C4'-P energy: -65.886 bonds (distance) P-C4' energy: -61.528 flat angles C4'-P-C4' energy: -78.624 flat angles P-C4'-P energy: -35.874 tors. eta vs tors. theta energy: -18.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -604.581206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.581206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.581206 (E_RNA) where: Base-Base interactions energy: -357.258 where: short stacking energy: -201.962 Base-Backbone interact. energy: 0.475 local terms energy: -247.938119 where: bonds (distance) C4'-P energy: -44.675 bonds (distance) P-C4' energy: -69.314 flat angles C4'-P-C4' energy: -74.974 flat angles P-C4'-P energy: -40.430 tors. eta vs tors. theta energy: -18.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.140 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1511.151444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.151444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.151444 (E_RNA) where: Base-Base interactions energy: -1071.719 where: short stacking energy: -432.191 Base-Backbone interact. energy: -3.808 local terms energy: -435.624311 where: bonds (distance) C4'-P energy: -88.946 bonds (distance) P-C4' energy: -81.701 flat angles C4'-P-C4' energy: -95.448 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: -121.495 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: 406 Temperature: 0.950000 Total energy: -1501.711706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.711706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.711706 (E_RNA) where: Base-Base interactions energy: -1067.520 where: short stacking energy: -426.372 Base-Backbone interact. energy: -1.754 local terms energy: -433.008805 where: bonds (distance) C4'-P energy: -76.218 bonds (distance) P-C4' energy: -83.351 flat angles C4'-P-C4' energy: -93.519 flat angles P-C4'-P energy: -62.736 tors. eta vs tors. theta energy: -117.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.571 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1397.234960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.234960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.234960 (E_RNA) where: Base-Base interactions energy: -961.993 where: short stacking energy: -424.121 Base-Backbone interact. energy: 2.979 local terms energy: -438.220328 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -84.945 flat angles C4'-P-C4' energy: -93.747 flat angles P-C4'-P energy: -60.103 tors. eta vs tors. theta energy: -120.016 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: 406 Temperature: 1.050000 Total energy: -1383.105426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.105426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.105426 (E_RNA) where: Base-Base interactions energy: -958.757 where: short stacking energy: -412.587 Base-Backbone interact. energy: -1.820 local terms energy: -422.528163 where: bonds (distance) C4'-P energy: -71.800 bonds (distance) P-C4' energy: -75.383 flat angles C4'-P-C4' energy: -90.362 flat angles P-C4'-P energy: -65.216 tors. eta vs tors. theta energy: -119.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1315.503110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.503110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.503110 (E_RNA) where: Base-Base interactions energy: -909.389 where: short stacking energy: -388.435 Base-Backbone interact. energy: -1.538 local terms energy: -406.006979 where: bonds (distance) C4'-P energy: -75.888 bonds (distance) P-C4' energy: -70.541 flat angles C4'-P-C4' energy: -93.864 flat angles P-C4'-P energy: -55.028 tors. eta vs tors. theta energy: -110.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.431 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1236.400066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.400066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.400066 (E_RNA) where: Base-Base interactions energy: -854.860 where: short stacking energy: -364.555 Base-Backbone interact. energy: -2.091 local terms energy: -380.168484 where: bonds (distance) C4'-P energy: -77.052 bonds (distance) P-C4' energy: -75.876 flat angles C4'-P-C4' energy: -82.440 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -93.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.719 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1070.696023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.696023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.696023 (E_RNA) where: Base-Base interactions energy: -712.888 where: short stacking energy: -334.275 Base-Backbone interact. energy: 0.032 local terms energy: -358.194110 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -75.045 flat angles C4'-P-C4' energy: -73.779 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -91.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.353 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -883.144439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.144439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.144439 (E_RNA) where: Base-Base interactions energy: -562.898 where: short stacking energy: -232.264 Base-Backbone interact. energy: -2.181 local terms energy: -318.065485 where: bonds (distance) C4'-P energy: -68.409 bonds (distance) P-C4' energy: -71.754 flat angles C4'-P-C4' energy: -88.154 flat angles P-C4'-P energy: -51.146 tors. eta vs tors. theta energy: -38.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -612.867851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.867851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.867851 (E_RNA) where: Base-Base interactions energy: -349.274 where: short stacking energy: -181.708 Base-Backbone interact. energy: 3.914 local terms energy: -267.507611 where: bonds (distance) C4'-P energy: -58.604 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -73.369 flat angles P-C4'-P energy: -42.704 tors. eta vs tors. theta energy: -22.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -555.311111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.311111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.311111 (E_RNA) where: Base-Base interactions energy: -304.476 where: short stacking energy: -160.911 Base-Backbone interact. energy: 0.044 local terms energy: -250.879642 where: bonds (distance) C4'-P energy: -54.196 bonds (distance) P-C4' energy: -69.028 flat angles C4'-P-C4' energy: -71.936 flat angles P-C4'-P energy: -38.116 tors. eta vs tors. theta energy: -17.604 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: 1, replica: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1532.887826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.887826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.887826 (E_RNA) where: Base-Base interactions energy: -1085.304 where: short stacking energy: -440.902 Base-Backbone interact. energy: -0.594 local terms energy: -446.989272 where: bonds (distance) C4'-P energy: -83.276 bonds (distance) P-C4' energy: -73.982 flat angles C4'-P-C4' energy: -98.227 flat angles P-C4'-P energy: -69.679 tors. eta vs tors. theta energy: -121.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1497.230964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.230964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.230964 (E_RNA) where: Base-Base interactions energy: -1067.868 where: short stacking energy: -438.766 Base-Backbone interact. energy: -0.082 local terms energy: -429.281052 where: bonds (distance) C4'-P energy: -72.369 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -95.841 flat angles P-C4'-P energy: -52.866 tors. eta vs tors. theta energy: -127.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1375.618127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.618127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.618127 (E_RNA) where: Base-Base interactions energy: -956.725 where: short stacking energy: -412.113 Base-Backbone interact. energy: 0.989 local terms energy: -419.881665 where: bonds (distance) C4'-P energy: -69.517 bonds (distance) P-C4' energy: -81.805 flat angles C4'-P-C4' energy: -93.771 flat angles P-C4'-P energy: -64.868 tors. eta vs tors. theta energy: -109.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1324.634722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.634722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.634722 (E_RNA) where: Base-Base interactions energy: -920.436 where: short stacking energy: -394.046 Base-Backbone interact. energy: -1.782 local terms energy: -402.416355 where: bonds (distance) C4'-P energy: -72.437 bonds (distance) P-C4' energy: -80.396 flat angles C4'-P-C4' energy: -83.472 flat angles P-C4'-P energy: -60.137 tors. eta vs tors. theta energy: -105.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1334.405709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.405709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.405709 (E_RNA) where: Base-Base interactions energy: -931.968 where: short stacking energy: -378.313 Base-Backbone interact. energy: -2.461 local terms energy: -399.976908 where: bonds (distance) C4'-P energy: -66.750 bonds (distance) P-C4' energy: -62.753 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -61.887 tors. eta vs tors. theta energy: -115.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1116.417221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.417221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.417221 (E_RNA) where: Base-Base interactions energy: -748.854 where: short stacking energy: -356.281 Base-Backbone interact. energy: 0.112 local terms energy: -369.631891 where: bonds (distance) C4'-P energy: -75.595 bonds (distance) P-C4' energy: -75.263 flat angles C4'-P-C4' energy: -70.826 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -91.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.957 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1209.073731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.073731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.073731 (E_RNA) where: Base-Base interactions energy: -859.865 where: short stacking energy: -394.461 Base-Backbone interact. energy: -2.024 local terms energy: -347.185006 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -61.421 flat angles C4'-P-C4' energy: -79.014 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -85.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -882.393452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.393452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.393452 (E_RNA) where: Base-Base interactions energy: -583.701 where: short stacking energy: -258.055 Base-Backbone interact. energy: 0.081 local terms energy: -298.773723 where: bonds (distance) C4'-P energy: -58.882 bonds (distance) P-C4' energy: -68.161 flat angles C4'-P-C4' energy: -67.365 flat angles P-C4'-P energy: -48.922 tors. eta vs tors. theta energy: -55.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -591.155478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.155478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.155478 (E_RNA) where: Base-Base interactions energy: -319.619 where: short stacking energy: -185.005 Base-Backbone interact. energy: 3.183 local terms energy: -274.719387 where: bonds (distance) C4'-P energy: -68.079 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -71.377 flat angles P-C4'-P energy: -35.566 tors. eta vs tors. theta energy: -36.357 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: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -605.103830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.103830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.103830 (E_RNA) where: Base-Base interactions energy: -351.212 where: short stacking energy: -187.999 Base-Backbone interact. energy: 3.924 local terms energy: -257.815916 where: bonds (distance) C4'-P energy: -57.369 bonds (distance) P-C4' energy: -71.049 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -51.415 tors. eta vs tors. theta energy: -15.358 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: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1538.308653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.308653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.308653 (E_RNA) where: Base-Base interactions energy: -1088.187 where: short stacking energy: -424.701 Base-Backbone interact. energy: -0.670 local terms energy: -449.452560 where: bonds (distance) C4'-P energy: -75.879 bonds (distance) P-C4' energy: -91.896 flat angles C4'-P-C4' energy: -94.794 flat angles P-C4'-P energy: -72.677 tors. eta vs tors. theta energy: -114.206 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: 408 Temperature: 0.950000 Total energy: -1518.164269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.164269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.164269 (E_RNA) where: Base-Base interactions energy: -1062.907 where: short stacking energy: -422.490 Base-Backbone interact. energy: -1.564 local terms energy: -453.871935 where: bonds (distance) C4'-P energy: -80.627 bonds (distance) P-C4' energy: -93.119 flat angles C4'-P-C4' energy: -97.855 flat angles P-C4'-P energy: -63.497 tors. eta vs tors. theta energy: -118.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.179 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1388.131351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.131351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.131351 (E_RNA) where: Base-Base interactions energy: -961.214 where: short stacking energy: -440.051 Base-Backbone interact. energy: -1.459 local terms energy: -425.458930 where: bonds (distance) C4'-P energy: -82.419 bonds (distance) P-C4' energy: -80.790 flat angles C4'-P-C4' energy: -89.535 flat angles P-C4'-P energy: -54.677 tors. eta vs tors. theta energy: -118.038 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: 408 Temperature: 1.050000 Total energy: -1348.839168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.839168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.839168 (E_RNA) where: Base-Base interactions energy: -950.575 where: short stacking energy: -386.612 Base-Backbone interact. energy: -0.654 local terms energy: -397.610709 where: bonds (distance) C4'-P energy: -73.117 bonds (distance) P-C4' energy: -85.397 flat angles C4'-P-C4' energy: -80.592 flat angles P-C4'-P energy: -50.674 tors. eta vs tors. theta energy: -107.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1318.642729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.642729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.642729 (E_RNA) where: Base-Base interactions energy: -903.051 where: short stacking energy: -386.382 Base-Backbone interact. energy: -0.475 local terms energy: -415.116912 where: bonds (distance) C4'-P energy: -79.794 bonds (distance) P-C4' energy: -78.004 flat angles C4'-P-C4' energy: -93.401 flat angles P-C4'-P energy: -62.472 tors. eta vs tors. theta energy: -101.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1182.911284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.911284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.911284 (E_RNA) where: Base-Base interactions energy: -779.961 where: short stacking energy: -340.531 Base-Backbone interact. energy: -0.806 local terms energy: -402.144490 where: bonds (distance) C4'-P energy: -71.865 bonds (distance) P-C4' energy: -77.942 flat angles C4'-P-C4' energy: -89.275 flat angles P-C4'-P energy: -57.527 tors. eta vs tors. theta energy: -105.536 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: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1186.329390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.329390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.329390 (E_RNA) where: Base-Base interactions energy: -802.188 where: short stacking energy: -318.904 Base-Backbone interact. energy: 1.126 local terms energy: -385.267525 where: bonds (distance) C4'-P energy: -66.187 bonds (distance) P-C4' energy: -90.107 flat angles C4'-P-C4' energy: -89.061 flat angles P-C4'-P energy: -62.927 tors. eta vs tors. theta energy: -76.986 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: 408 Temperature: 1.250000 Total energy: -902.536157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.536157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.536157 (E_RNA) where: Base-Base interactions energy: -584.493 where: short stacking energy: -265.086 Base-Backbone interact. energy: -2.741 local terms energy: -315.301807 where: bonds (distance) C4'-P energy: -59.382 bonds (distance) P-C4' energy: -77.894 flat angles C4'-P-C4' energy: -61.266 flat angles P-C4'-P energy: -58.677 tors. eta vs tors. theta energy: -58.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -625.748644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.748644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.748644 (E_RNA) where: Base-Base interactions energy: -350.824 where: short stacking energy: -184.948 Base-Backbone interact. energy: 2.753 local terms energy: -277.677724 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -71.299 flat angles C4'-P-C4' energy: -69.000 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -31.835 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: 408 Temperature: 1.350000 Total energy: -552.345092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.345092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.345092 (E_RNA) where: Base-Base interactions energy: -322.008 where: short stacking energy: -174.307 Base-Backbone interact. energy: 1.545 local terms energy: -231.881159 where: bonds (distance) C4'-P energy: -50.507 bonds (distance) P-C4' energy: -84.731 flat angles C4'-P-C4' energy: -61.669 flat angles P-C4'-P energy: -22.456 tors. eta vs tors. theta energy: -12.518 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: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1522.981169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.981169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.981169 (E_RNA) where: Base-Base interactions energy: -1075.930 where: short stacking energy: -411.339 Base-Backbone interact. energy: -2.811 local terms energy: -444.239829 where: bonds (distance) C4'-P energy: -81.617 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -86.507 flat angles P-C4'-P energy: -63.544 tors. eta vs tors. theta energy: -122.120 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: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1469.620777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.620777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.620777 (E_RNA) where: Base-Base interactions energy: -1033.257 where: short stacking energy: -386.107 Base-Backbone interact. energy: -0.578 local terms energy: -435.785503 where: bonds (distance) C4'-P energy: -76.037 bonds (distance) P-C4' energy: -82.771 flat angles C4'-P-C4' energy: -98.789 flat angles P-C4'-P energy: -64.830 tors. eta vs tors. theta energy: -113.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1411.174911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.174911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.174911 (E_RNA) where: Base-Base interactions energy: -975.818 where: short stacking energy: -432.309 Base-Backbone interact. energy: -1.929 local terms energy: -433.427909 where: bonds (distance) C4'-P energy: -57.116 bonds (distance) P-C4' energy: -87.909 flat angles C4'-P-C4' energy: -96.794 flat angles P-C4'-P energy: -71.116 tors. eta vs tors. theta energy: -120.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1331.302851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.302851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.302851 (E_RNA) where: Base-Base interactions energy: -921.471 where: short stacking energy: -380.410 Base-Backbone interact. energy: -1.655 local terms energy: -408.177512 where: bonds (distance) C4'-P energy: -85.558 bonds (distance) P-C4' energy: -79.199 flat angles C4'-P-C4' energy: -84.452 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: -102.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1342.190832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.190832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.190832 (E_RNA) where: Base-Base interactions energy: -906.721 where: short stacking energy: -400.277 Base-Backbone interact. energy: 1.530 local terms energy: -437.000768 where: bonds (distance) C4'-P energy: -68.348 bonds (distance) P-C4' energy: -93.879 flat angles C4'-P-C4' energy: -90.909 flat angles P-C4'-P energy: -62.127 tors. eta vs tors. theta energy: -121.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1252.951676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.951676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.951676 (E_RNA) where: Base-Base interactions energy: -871.077 where: short stacking energy: -383.312 Base-Backbone interact. energy: -1.862 local terms energy: -380.012367 where: bonds (distance) C4'-P energy: -73.963 bonds (distance) P-C4' energy: -79.370 flat angles C4'-P-C4' energy: -79.616 flat angles P-C4'-P energy: -52.683 tors. eta vs tors. theta energy: -94.381 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: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1099.572811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.572811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.572811 (E_RNA) where: Base-Base interactions energy: -722.747 where: short stacking energy: -299.457 Base-Backbone interact. energy: -1.260 local terms energy: -375.565487 where: bonds (distance) C4'-P energy: -75.249 bonds (distance) P-C4' energy: -80.974 flat angles C4'-P-C4' energy: -91.319 flat angles P-C4'-P energy: -55.991 tors. eta vs tors. theta energy: -72.032 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: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -913.901572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.901572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.901572 (E_RNA) where: Base-Base interactions energy: -615.009 where: short stacking energy: -276.473 Base-Backbone interact. energy: 0.503 local terms energy: -299.931766 where: bonds (distance) C4'-P energy: -67.680 bonds (distance) P-C4' energy: -77.032 flat angles C4'-P-C4' energy: -64.584 flat angles P-C4'-P energy: -39.828 tors. eta vs tors. theta energy: -50.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.536 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -602.795702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.795702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.795702 (E_RNA) where: Base-Base interactions energy: -354.828 where: short stacking energy: -176.148 Base-Backbone interact. energy: -2.428 local terms energy: -245.539891 where: bonds (distance) C4'-P energy: -64.374 bonds (distance) P-C4' energy: -75.138 flat angles C4'-P-C4' energy: -57.401 flat angles P-C4'-P energy: -38.381 tors. eta vs tors. theta energy: -10.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -507.433164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.433164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.433164 (E_RNA) where: Base-Base interactions energy: -273.085 where: short stacking energy: -139.446 Base-Backbone interact. energy: -1.310 local terms energy: -233.038747 where: bonds (distance) C4'-P energy: -55.424 bonds (distance) P-C4' energy: -81.423 flat angles C4'-P-C4' energy: -50.582 flat angles P-C4'-P energy: -41.337 tors. eta vs tors. theta energy: -4.273 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: 410 Temperature: 0.900000 Total energy: -1521.745285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.745285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.745285 (E_RNA) where: Base-Base interactions energy: -1055.473 where: short stacking energy: -429.241 Base-Backbone interact. energy: -1.738 local terms energy: -464.534865 where: bonds (distance) C4'-P energy: -94.537 bonds (distance) P-C4' energy: -81.024 flat angles C4'-P-C4' energy: -93.344 flat angles P-C4'-P energy: -69.158 tors. eta vs tors. theta energy: -126.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1487.069362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.069362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.069362 (E_RNA) where: Base-Base interactions energy: -1050.713 where: short stacking energy: -416.844 Base-Backbone interact. energy: -1.768 local terms energy: -435.285773 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -80.829 flat angles C4'-P-C4' energy: -101.650 flat angles P-C4'-P energy: -54.519 tors. eta vs tors. theta energy: -121.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.697 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1406.425417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.425417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.425417 (E_RNA) where: Base-Base interactions energy: -963.801 where: short stacking energy: -423.636 Base-Backbone interact. energy: -1.066 local terms energy: -441.558606 where: bonds (distance) C4'-P energy: -89.573 bonds (distance) P-C4' energy: -81.732 flat angles C4'-P-C4' energy: -98.787 flat angles P-C4'-P energy: -61.453 tors. eta vs tors. theta energy: -110.014 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: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1352.904327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.904327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.904327 (E_RNA) where: Base-Base interactions energy: -947.637 where: short stacking energy: -397.964 Base-Backbone interact. energy: 3.772 local terms energy: -409.039277 where: bonds (distance) C4'-P energy: -68.197 bonds (distance) P-C4' energy: -82.073 flat angles C4'-P-C4' energy: -86.418 flat angles P-C4'-P energy: -58.961 tors. eta vs tors. theta energy: -113.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1326.126545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.126545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.126545 (E_RNA) where: Base-Base interactions energy: -908.982 where: short stacking energy: -383.189 Base-Backbone interact. energy: -2.348 local terms energy: -414.796642 where: bonds (distance) C4'-P energy: -78.356 bonds (distance) P-C4' energy: -88.582 flat angles C4'-P-C4' energy: -88.089 flat angles P-C4'-P energy: -52.305 tors. eta vs tors. theta energy: -107.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1241.625162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.625162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.625162 (E_RNA) where: Base-Base interactions energy: -835.657 where: short stacking energy: -358.147 Base-Backbone interact. energy: 2.494 local terms energy: -408.462371 where: bonds (distance) C4'-P energy: -82.573 bonds (distance) P-C4' energy: -82.990 flat angles C4'-P-C4' energy: -91.066 flat angles P-C4'-P energy: -54.515 tors. eta vs tors. theta energy: -97.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1106.520681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.520681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.520681 (E_RNA) where: Base-Base interactions energy: -742.918 where: short stacking energy: -331.747 Base-Backbone interact. energy: -1.591 local terms energy: -362.011590 where: bonds (distance) C4'-P energy: -75.813 bonds (distance) P-C4' energy: -69.397 flat angles C4'-P-C4' energy: -89.944 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -77.823 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: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -903.114743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.114743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.114743 (E_RNA) where: Base-Base interactions energy: -598.338 where: short stacking energy: -236.789 Base-Backbone interact. energy: -0.018 local terms energy: -304.759406 where: bonds (distance) C4'-P energy: -64.780 bonds (distance) P-C4' energy: -78.011 flat angles C4'-P-C4' energy: -69.056 flat angles P-C4'-P energy: -53.281 tors. eta vs tors. theta energy: -39.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -542.121340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.121340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.121340 (E_RNA) where: Base-Base interactions energy: -305.068 where: short stacking energy: -151.702 Base-Backbone interact. energy: -0.602 local terms energy: -236.450541 where: bonds (distance) C4'-P energy: -72.752 bonds (distance) P-C4' energy: -68.261 flat angles C4'-P-C4' energy: -64.256 flat angles P-C4'-P energy: -30.061 tors. eta vs tors. theta energy: -1.120 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: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -557.944374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.944374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.944374 (E_RNA) where: Base-Base interactions energy: -325.501 where: short stacking energy: -147.971 Base-Backbone interact. energy: -2.874 local terms energy: -229.568720 where: bonds (distance) C4'-P energy: -55.319 bonds (distance) P-C4' energy: -81.664 flat angles C4'-P-C4' energy: -55.719 flat angles P-C4'-P energy: -42.480 tors. eta vs tors. theta energy: 5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1531.074521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.074521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.074521 (E_RNA) where: Base-Base interactions energy: -1083.198 where: short stacking energy: -439.018 Base-Backbone interact. energy: -1.968 local terms energy: -445.909106 where: bonds (distance) C4'-P energy: -84.009 bonds (distance) P-C4' energy: -85.801 flat angles C4'-P-C4' energy: -89.746 flat angles P-C4'-P energy: -65.723 tors. eta vs tors. theta energy: -120.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1492.278671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.278671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.278671 (E_RNA) where: Base-Base interactions energy: -1050.116 where: short stacking energy: -419.454 Base-Backbone interact. energy: 1.544 local terms energy: -444.550621 where: bonds (distance) C4'-P energy: -88.003 bonds (distance) P-C4' energy: -93.016 flat angles C4'-P-C4' energy: -91.358 flat angles P-C4'-P energy: -51.846 tors. eta vs tors. theta energy: -120.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.843 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1385.306217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.306217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.306217 (E_RNA) where: Base-Base interactions energy: -956.566 where: short stacking energy: -422.982 Base-Backbone interact. energy: -1.872 local terms energy: -426.868364 where: bonds (distance) C4'-P energy: -75.811 bonds (distance) P-C4' energy: -85.952 flat angles C4'-P-C4' energy: -90.553 flat angles P-C4'-P energy: -58.804 tors. eta vs tors. theta energy: -115.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1373.096243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.096243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.096243 (E_RNA) where: Base-Base interactions energy: -977.119 where: short stacking energy: -418.447 Base-Backbone interact. energy: -1.442 local terms energy: -394.535012 where: bonds (distance) C4'-P energy: -76.776 bonds (distance) P-C4' energy: -63.449 flat angles C4'-P-C4' energy: -89.902 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: -108.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1310.701467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.701467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.701467 (E_RNA) where: Base-Base interactions energy: -917.637 where: short stacking energy: -377.245 Base-Backbone interact. energy: -3.150 local terms energy: -389.914490 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -63.930 flat angles C4'-P-C4' energy: -91.815 flat angles P-C4'-P energy: -47.291 tors. eta vs tors. theta energy: -113.836 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: 6 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1275.327378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.327378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.327378 (E_RNA) where: Base-Base interactions energy: -886.902 where: short stacking energy: -368.749 Base-Backbone interact. energy: -1.755 local terms energy: -386.670539 where: bonds (distance) C4'-P energy: -72.418 bonds (distance) P-C4' energy: -78.235 flat angles C4'-P-C4' energy: -74.551 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: -95.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1086.307408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.307408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.307408 (E_RNA) where: Base-Base interactions energy: -727.331 where: short stacking energy: -336.539 Base-Backbone interact. energy: -0.572 local terms energy: -358.404352 where: bonds (distance) C4'-P energy: -65.786 bonds (distance) P-C4' energy: -70.842 flat angles C4'-P-C4' energy: -93.078 flat angles P-C4'-P energy: -47.446 tors. eta vs tors. theta energy: -81.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -876.211831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.211831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.211831 (E_RNA) where: Base-Base interactions energy: -587.700 where: short stacking energy: -245.372 Base-Backbone interact. energy: -1.467 local terms energy: -287.044908 where: bonds (distance) C4'-P energy: -65.812 bonds (distance) P-C4' energy: -70.804 flat angles C4'-P-C4' energy: -54.311 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -50.839 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: 411 Temperature: 1.300000 Total energy: -600.533752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.533752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.533752 (E_RNA) where: Base-Base interactions energy: -356.559 where: short stacking energy: -163.785 Base-Backbone interact. energy: -0.798 local terms energy: -243.176427 where: bonds (distance) C4'-P energy: -66.989 bonds (distance) P-C4' energy: -69.421 flat angles C4'-P-C4' energy: -59.792 flat angles P-C4'-P energy: -35.904 tors. eta vs tors. theta energy: -11.070 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: 10, replica: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -540.626034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.626034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.626034 (E_RNA) where: Base-Base interactions energy: -277.661 where: short stacking energy: -136.889 Base-Backbone interact. energy: -1.388 local terms energy: -261.576836 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -80.062 flat angles C4'-P-C4' energy: -67.052 flat angles P-C4'-P energy: -39.493 tors. eta vs tors. theta energy: -8.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1524.148676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.148676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.148676 (E_RNA) where: Base-Base interactions energy: -1056.576 where: short stacking energy: -442.584 Base-Backbone interact. energy: -2.994 local terms energy: -464.578675 where: bonds (distance) C4'-P energy: -90.828 bonds (distance) P-C4' energy: -88.563 flat angles C4'-P-C4' energy: -103.466 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -120.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1510.468744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.468744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.468744 (E_RNA) where: Base-Base interactions energy: -1075.739 where: short stacking energy: -429.132 Base-Backbone interact. energy: -3.217 local terms energy: -431.513438 where: bonds (distance) C4'-P energy: -79.774 bonds (distance) P-C4' energy: -88.913 flat angles C4'-P-C4' energy: -90.140 flat angles P-C4'-P energy: -56.220 tors. eta vs tors. theta energy: -116.466 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: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1397.827079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.827079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.827079 (E_RNA) where: Base-Base interactions energy: -971.667 where: short stacking energy: -427.912 Base-Backbone interact. energy: -1.236 local terms energy: -424.924306 where: bonds (distance) C4'-P energy: -70.580 bonds (distance) P-C4' energy: -85.540 flat angles C4'-P-C4' energy: -90.264 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -123.075 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: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1344.005451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.005451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.005451 (E_RNA) where: Base-Base interactions energy: -914.381 where: short stacking energy: -399.630 Base-Backbone interact. energy: -1.127 local terms energy: -428.497423 where: bonds (distance) C4'-P energy: -83.387 bonds (distance) P-C4' energy: -82.437 flat angles C4'-P-C4' energy: -88.249 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -113.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1343.233825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.233825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.233825 (E_RNA) where: Base-Base interactions energy: -921.866 where: short stacking energy: -393.867 Base-Backbone interact. energy: -1.208 local terms energy: -420.160011 where: bonds (distance) C4'-P energy: -72.636 bonds (distance) P-C4' energy: -81.803 flat angles C4'-P-C4' energy: -95.736 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -112.319 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: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1246.604846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.604846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.604846 (E_RNA) where: Base-Base interactions energy: -873.060 where: short stacking energy: -366.250 Base-Backbone interact. energy: -0.802 local terms energy: -372.743520 where: bonds (distance) C4'-P energy: -68.564 bonds (distance) P-C4' energy: -80.922 flat angles C4'-P-C4' energy: -76.235 flat angles P-C4'-P energy: -51.895 tors. eta vs tors. theta energy: -95.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1102.948617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.948617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.948617 (E_RNA) where: Base-Base interactions energy: -753.822 where: short stacking energy: -326.150 Base-Backbone interact. energy: -1.670 local terms energy: -347.456808 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -74.541 flat angles C4'-P-C4' energy: -77.755 flat angles P-C4'-P energy: -51.373 tors. eta vs tors. theta energy: -77.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -896.131803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.131803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.131803 (E_RNA) where: Base-Base interactions energy: -584.434 where: short stacking energy: -238.167 Base-Backbone interact. energy: -0.416 local terms energy: -311.281981 where: bonds (distance) C4'-P energy: -60.925 bonds (distance) P-C4' energy: -68.711 flat angles C4'-P-C4' energy: -90.026 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: -46.736 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: 9, replica: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -554.774578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.774578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.774578 (E_RNA) where: Base-Base interactions energy: -310.067 where: short stacking energy: -181.425 Base-Backbone interact. energy: 2.100 local terms energy: -246.807813 where: bonds (distance) C4'-P energy: -58.764 bonds (distance) P-C4' energy: -76.725 flat angles C4'-P-C4' energy: -59.761 flat angles P-C4'-P energy: -34.975 tors. eta vs tors. theta energy: -16.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -541.051877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.051877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.051877 (E_RNA) where: Base-Base interactions energy: -302.162 where: short stacking energy: -157.021 Base-Backbone interact. energy: 0.762 local terms energy: -239.652688 where: bonds (distance) C4'-P energy: -56.156 bonds (distance) P-C4' energy: -69.345 flat angles C4'-P-C4' energy: -57.612 flat angles P-C4'-P energy: -38.807 tors. eta vs tors. theta energy: -17.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1521.163384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.163384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.163384 (E_RNA) where: Base-Base interactions energy: -1061.313 where: short stacking energy: -430.857 Base-Backbone interact. energy: -1.492 local terms energy: -458.358733 where: bonds (distance) C4'-P energy: -78.878 bonds (distance) P-C4' energy: -90.636 flat angles C4'-P-C4' energy: -98.082 flat angles P-C4'-P energy: -60.449 tors. eta vs tors. theta energy: -130.314 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: 413 Temperature: 0.950000 Total energy: -1500.554853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.554853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.554853 (E_RNA) where: Base-Base interactions energy: -1058.293 where: short stacking energy: -421.976 Base-Backbone interact. energy: -0.320 local terms energy: -441.941286 where: bonds (distance) C4'-P energy: -78.203 bonds (distance) P-C4' energy: -87.969 flat angles C4'-P-C4' energy: -91.455 flat angles P-C4'-P energy: -63.769 tors. eta vs tors. theta energy: -120.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1411.430612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.430612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.430612 (E_RNA) where: Base-Base interactions energy: -995.604 where: short stacking energy: -416.587 Base-Backbone interact. energy: -1.205 local terms energy: -414.621583 where: bonds (distance) C4'-P energy: -75.380 bonds (distance) P-C4' energy: -87.388 flat angles C4'-P-C4' energy: -90.311 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: -107.879 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: 413 Temperature: 1.050000 Total energy: -1344.845064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.845064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.845064 (E_RNA) where: Base-Base interactions energy: -945.558 where: short stacking energy: -408.448 Base-Backbone interact. energy: 0.611 local terms energy: -399.898158 where: bonds (distance) C4'-P energy: -80.483 bonds (distance) P-C4' energy: -67.083 flat angles C4'-P-C4' energy: -78.488 flat angles P-C4'-P energy: -54.550 tors. eta vs tors. theta energy: -119.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1263.702280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.702280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.702280 (E_RNA) where: Base-Base interactions energy: -889.663 where: short stacking energy: -394.543 Base-Backbone interact. energy: -0.560 local terms energy: -373.479194 where: bonds (distance) C4'-P energy: -76.796 bonds (distance) P-C4' energy: -54.213 flat angles C4'-P-C4' energy: -81.361 flat angles P-C4'-P energy: -54.464 tors. eta vs tors. theta energy: -106.645 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: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1207.373986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.373986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.373986 (E_RNA) where: Base-Base interactions energy: -848.901 where: short stacking energy: -343.544 Base-Backbone interact. energy: -0.615 local terms energy: -357.858209 where: bonds (distance) C4'-P energy: -74.249 bonds (distance) P-C4' energy: -66.668 flat angles C4'-P-C4' energy: -80.215 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -85.297 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: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1161.675956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.675956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.675956 (E_RNA) where: Base-Base interactions energy: -789.926 where: short stacking energy: -342.775 Base-Backbone interact. energy: -0.479 local terms energy: -371.271427 where: bonds (distance) C4'-P energy: -66.893 bonds (distance) P-C4' energy: -80.725 flat angles C4'-P-C4' energy: -77.691 flat angles P-C4'-P energy: -53.202 tors. eta vs tors. theta energy: -92.761 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: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -886.410935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.410935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.410935 (E_RNA) where: Base-Base interactions energy: -584.721 where: short stacking energy: -251.129 Base-Backbone interact. energy: -3.336 local terms energy: -298.354016 where: bonds (distance) C4'-P energy: -74.434 bonds (distance) P-C4' energy: -63.096 flat angles C4'-P-C4' energy: -84.515 flat angles P-C4'-P energy: -35.561 tors. eta vs tors. theta energy: -40.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -565.369026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.369026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.369026 (E_RNA) where: Base-Base interactions energy: -296.359 where: short stacking energy: -168.199 Base-Backbone interact. energy: -0.527 local terms energy: -268.482970 where: bonds (distance) C4'-P energy: -64.986 bonds (distance) P-C4' energy: -64.659 flat angles C4'-P-C4' energy: -69.957 flat angles P-C4'-P energy: -56.322 tors. eta vs tors. theta energy: -12.559 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: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -585.977501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.977501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.977501 (E_RNA) where: Base-Base interactions energy: -349.109 where: short stacking energy: -183.287 Base-Backbone interact. energy: -0.891 local terms energy: -239.139326 where: bonds (distance) C4'-P energy: -58.354 bonds (distance) P-C4' energy: -56.492 flat angles C4'-P-C4' energy: -64.603 flat angles P-C4'-P energy: -33.164 tors. eta vs tors. theta energy: -26.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 3.162 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1512.172366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.172366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.172366 (E_RNA) where: Base-Base interactions energy: -1048.751 where: short stacking energy: -413.904 Base-Backbone interact. energy: -0.544 local terms energy: -464.747306 where: bonds (distance) C4'-P energy: -87.323 bonds (distance) P-C4' energy: -94.916 flat angles C4'-P-C4' energy: -94.880 flat angles P-C4'-P energy: -64.564 tors. eta vs tors. theta energy: -123.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.870 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1493.128336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.128336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.128336 (E_RNA) where: Base-Base interactions energy: -1063.943 where: short stacking energy: -428.202 Base-Backbone interact. energy: 0.528 local terms energy: -429.712898 where: bonds (distance) C4'-P energy: -83.153 bonds (distance) P-C4' energy: -83.146 flat angles C4'-P-C4' energy: -88.039 flat angles P-C4'-P energy: -64.251 tors. eta vs tors. theta energy: -111.124 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: 4 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1384.037237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.037237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.037237 (E_RNA) where: Base-Base interactions energy: -950.552 where: short stacking energy: -414.312 Base-Backbone interact. energy: 1.516 local terms energy: -435.001113 where: bonds (distance) C4'-P energy: -86.075 bonds (distance) P-C4' energy: -80.420 flat angles C4'-P-C4' energy: -85.166 flat angles P-C4'-P energy: -69.978 tors. eta vs tors. theta energy: -113.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1350.419478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.419478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.419478 (E_RNA) where: Base-Base interactions energy: -934.354 where: short stacking energy: -390.658 Base-Backbone interact. energy: -0.037 local terms energy: -416.028906 where: bonds (distance) C4'-P energy: -81.598 bonds (distance) P-C4' energy: -74.174 flat angles C4'-P-C4' energy: -90.330 flat angles P-C4'-P energy: -60.125 tors. eta vs tors. theta energy: -109.801 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: 414 Temperature: 1.100000 Total energy: -1252.252586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.252586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.252586 (E_RNA) where: Base-Base interactions energy: -863.896 where: short stacking energy: -367.184 Base-Backbone interact. energy: -2.078 local terms energy: -386.278412 where: bonds (distance) C4'-P energy: -77.756 bonds (distance) P-C4' energy: -68.771 flat angles C4'-P-C4' energy: -82.591 flat angles P-C4'-P energy: -58.107 tors. eta vs tors. theta energy: -99.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1260.809373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.809373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.809373 (E_RNA) where: Base-Base interactions energy: -882.464 where: short stacking energy: -388.145 Base-Backbone interact. energy: 1.010 local terms energy: -379.356270 where: bonds (distance) C4'-P energy: -69.050 bonds (distance) P-C4' energy: -78.740 flat angles C4'-P-C4' energy: -83.251 flat angles P-C4'-P energy: -47.282 tors. eta vs tors. theta energy: -101.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1144.517518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.517518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.517518 (E_RNA) where: Base-Base interactions energy: -790.227 where: short stacking energy: -336.204 Base-Backbone interact. energy: -1.672 local terms energy: -352.618219 where: bonds (distance) C4'-P energy: -74.295 bonds (distance) P-C4' energy: -61.792 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -58.035 tors. eta vs tors. theta energy: -83.235 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: 414 Temperature: 1.250000 Total energy: -884.022771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.022771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.022771 (E_RNA) where: Base-Base interactions energy: -595.087 where: short stacking energy: -256.388 Base-Backbone interact. energy: 3.713 local terms energy: -292.648955 where: bonds (distance) C4'-P energy: -67.014 bonds (distance) P-C4' energy: -58.151 flat angles C4'-P-C4' energy: -68.578 flat angles P-C4'-P energy: -46.147 tors. eta vs tors. theta energy: -52.758 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: 9, replica: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -649.926247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.926247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.926247 (E_RNA) where: Base-Base interactions energy: -384.819 where: short stacking energy: -184.597 Base-Backbone interact. energy: -1.220 local terms energy: -263.888176 where: bonds (distance) C4'-P energy: -65.588 bonds (distance) P-C4' energy: -79.314 flat angles C4'-P-C4' energy: -68.895 flat angles P-C4'-P energy: -42.562 tors. eta vs tors. theta energy: -7.529 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: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -517.678875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.678875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.678875 (E_RNA) where: Base-Base interactions energy: -291.481 where: short stacking energy: -137.209 Base-Backbone interact. energy: 5.543 local terms energy: -231.741555 where: bonds (distance) C4'-P energy: -58.027 bonds (distance) P-C4' energy: -69.542 flat angles C4'-P-C4' energy: -56.892 flat angles P-C4'-P energy: -47.597 tors. eta vs tors. theta energy: 0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1526.645199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.645199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.645199 (E_RNA) where: Base-Base interactions energy: -1075.058 where: short stacking energy: -428.267 Base-Backbone interact. energy: -1.854 local terms energy: -449.733310 where: bonds (distance) C4'-P energy: -90.394 bonds (distance) P-C4' energy: -90.507 flat angles C4'-P-C4' energy: -93.086 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -120.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1480.816366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.816366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.816366 (E_RNA) where: Base-Base interactions energy: -1037.077 where: short stacking energy: -425.304 Base-Backbone interact. energy: -2.686 local terms energy: -441.054058 where: bonds (distance) C4'-P energy: -79.893 bonds (distance) P-C4' energy: -89.325 flat angles C4'-P-C4' energy: -88.643 flat angles P-C4'-P energy: -63.672 tors. eta vs tors. theta energy: -119.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1401.844943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.844943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.844943 (E_RNA) where: Base-Base interactions energy: -961.515 where: short stacking energy: -426.886 Base-Backbone interact. energy: -1.077 local terms energy: -439.253244 where: bonds (distance) C4'-P energy: -68.950 bonds (distance) P-C4' energy: -82.529 flat angles C4'-P-C4' energy: -93.359 flat angles P-C4'-P energy: -72.610 tors. eta vs tors. theta energy: -121.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1404.103289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.103289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.103289 (E_RNA) where: Base-Base interactions energy: -968.675 where: short stacking energy: -397.237 Base-Backbone interact. energy: -0.752 local terms energy: -434.676194 where: bonds (distance) C4'-P energy: -83.670 bonds (distance) P-C4' energy: -83.502 flat angles C4'-P-C4' energy: -87.916 flat angles P-C4'-P energy: -71.747 tors. eta vs tors. theta energy: -107.842 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: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1239.059912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.059912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.059912 (E_RNA) where: Base-Base interactions energy: -836.353 where: short stacking energy: -369.971 Base-Backbone interact. energy: 0.556 local terms energy: -403.262762 where: bonds (distance) C4'-P energy: -74.337 bonds (distance) P-C4' energy: -75.055 flat angles C4'-P-C4' energy: -86.993 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -100.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1286.239460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.239460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.239460 (E_RNA) where: Base-Base interactions energy: -884.786 where: short stacking energy: -389.367 Base-Backbone interact. energy: -1.973 local terms energy: -399.480089 where: bonds (distance) C4'-P energy: -57.394 bonds (distance) P-C4' energy: -81.542 flat angles C4'-P-C4' energy: -94.932 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -114.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1080.792571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.792571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.792571 (E_RNA) where: Base-Base interactions energy: -718.254 where: short stacking energy: -304.514 Base-Backbone interact. energy: 6.469 local terms energy: -369.007047 where: bonds (distance) C4'-P energy: -73.562 bonds (distance) P-C4' energy: -86.013 flat angles C4'-P-C4' energy: -70.013 flat angles P-C4'-P energy: -58.824 tors. eta vs tors. theta energy: -80.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -904.131638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.131638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.131638 (E_RNA) where: Base-Base interactions energy: -602.399 where: short stacking energy: -246.239 Base-Backbone interact. energy: -2.774 local terms energy: -298.958101 where: bonds (distance) C4'-P energy: -64.442 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -56.226 flat angles P-C4'-P energy: -50.554 tors. eta vs tors. theta energy: -49.570 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: 415 Temperature: 1.300000 Total energy: -666.107294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.107294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.107294 (E_RNA) where: Base-Base interactions energy: -370.568 where: short stacking energy: -170.507 Base-Backbone interact. energy: -1.811 local terms energy: -293.728253 where: bonds (distance) C4'-P energy: -75.221 bonds (distance) P-C4' energy: -82.078 flat angles C4'-P-C4' energy: -64.619 flat angles P-C4'-P energy: -38.171 tors. eta vs tors. theta energy: -33.639 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: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -533.537839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.537839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.537839 (E_RNA) where: Base-Base interactions energy: -285.079 where: short stacking energy: -161.416 Base-Backbone interact. energy: 0.172 local terms energy: -248.631496 where: bonds (distance) C4'-P energy: -59.077 bonds (distance) P-C4' energy: -65.846 flat angles C4'-P-C4' energy: -71.837 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: -15.419 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: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1517.532314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.532314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.532314 (E_RNA) where: Base-Base interactions energy: -1081.836 where: short stacking energy: -425.983 Base-Backbone interact. energy: -0.527 local terms energy: -435.169436 where: bonds (distance) C4'-P energy: -88.017 bonds (distance) P-C4' energy: -72.138 flat angles C4'-P-C4' energy: -93.057 flat angles P-C4'-P energy: -61.263 tors. eta vs tors. theta energy: -120.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1489.863814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.863814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.863814 (E_RNA) where: Base-Base interactions energy: -1058.048 where: short stacking energy: -440.485 Base-Backbone interact. energy: 0.414 local terms energy: -432.229737 where: bonds (distance) C4'-P energy: -75.329 bonds (distance) P-C4' energy: -79.811 flat angles C4'-P-C4' energy: -93.632 flat angles P-C4'-P energy: -61.791 tors. eta vs tors. theta energy: -121.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1387.747848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.747848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.747848 (E_RNA) where: Base-Base interactions energy: -964.669 where: short stacking energy: -430.939 Base-Backbone interact. energy: -1.831 local terms energy: -421.247053 where: bonds (distance) C4'-P energy: -82.568 bonds (distance) P-C4' energy: -72.533 flat angles C4'-P-C4' energy: -100.424 flat angles P-C4'-P energy: -56.248 tors. eta vs tors. theta energy: -109.474 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: 416 Temperature: 1.050000 Total energy: -1388.064899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.064899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.064899 (E_RNA) where: Base-Base interactions energy: -967.456 where: short stacking energy: -403.850 Base-Backbone interact. energy: -3.134 local terms energy: -417.475111 where: bonds (distance) C4'-P energy: -77.172 bonds (distance) P-C4' energy: -72.885 flat angles C4'-P-C4' energy: -93.976 flat angles P-C4'-P energy: -60.579 tors. eta vs tors. theta energy: -112.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1339.620889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.620889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.620889 (E_RNA) where: Base-Base interactions energy: -926.475 where: short stacking energy: -414.636 Base-Backbone interact. energy: -1.144 local terms energy: -412.001937 where: bonds (distance) C4'-P energy: -67.187 bonds (distance) P-C4' energy: -83.506 flat angles C4'-P-C4' energy: -81.642 flat angles P-C4'-P energy: -62.084 tors. eta vs tors. theta energy: -117.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1213.905324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.905324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.905324 (E_RNA) where: Base-Base interactions energy: -845.009 where: short stacking energy: -378.087 Base-Backbone interact. energy: -0.616 local terms energy: -368.280773 where: bonds (distance) C4'-P energy: -67.022 bonds (distance) P-C4' energy: -68.031 flat angles C4'-P-C4' energy: -88.982 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -93.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1086.498292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.498292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.498292 (E_RNA) where: Base-Base interactions energy: -743.280 where: short stacking energy: -342.105 Base-Backbone interact. energy: 0.759 local terms energy: -343.977832 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -65.997 flat angles C4'-P-C4' energy: -73.340 flat angles P-C4'-P energy: -50.983 tors. eta vs tors. theta energy: -85.696 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: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -877.632524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.632524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.632524 (E_RNA) where: Base-Base interactions energy: -582.818 where: short stacking energy: -247.291 Base-Backbone interact. energy: 1.724 local terms energy: -296.538481 where: bonds (distance) C4'-P energy: -65.608 bonds (distance) P-C4' energy: -61.590 flat angles C4'-P-C4' energy: -81.842 flat angles P-C4'-P energy: -49.343 tors. eta vs tors. theta energy: -38.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -719.579455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.579455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.579455 (E_RNA) where: Base-Base interactions energy: -410.239 where: short stacking energy: -195.996 Base-Backbone interact. energy: -0.650 local terms energy: -308.690411 where: bonds (distance) C4'-P energy: -84.035 bonds (distance) P-C4' energy: -68.693 flat angles C4'-P-C4' energy: -76.524 flat angles P-C4'-P energy: -31.898 tors. eta vs tors. theta energy: -47.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -503.885384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.885384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.885384 (E_RNA) where: Base-Base interactions energy: -276.883 where: short stacking energy: -130.501 Base-Backbone interact. energy: -0.492 local terms energy: -226.510055 where: bonds (distance) C4'-P energy: -61.793 bonds (distance) P-C4' energy: -57.934 flat angles C4'-P-C4' energy: -69.567 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: 5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1534.240947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.240947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.240947 (E_RNA) where: Base-Base interactions energy: -1092.470 where: short stacking energy: -443.147 Base-Backbone interact. energy: 0.257 local terms energy: -442.027592 where: bonds (distance) C4'-P energy: -90.195 bonds (distance) P-C4' energy: -73.073 flat angles C4'-P-C4' energy: -93.744 flat angles P-C4'-P energy: -59.654 tors. eta vs tors. theta energy: -125.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1484.164796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.164796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.164796 (E_RNA) where: Base-Base interactions energy: -1065.351 where: short stacking energy: -424.166 Base-Backbone interact. energy: 0.115 local terms energy: -418.929469 where: bonds (distance) C4'-P energy: -72.200 bonds (distance) P-C4' energy: -86.222 flat angles C4'-P-C4' energy: -80.034 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -117.511 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: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1373.741287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.741287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.741287 (E_RNA) where: Base-Base interactions energy: -961.292 where: short stacking energy: -411.849 Base-Backbone interact. energy: -1.214 local terms energy: -411.235317 where: bonds (distance) C4'-P energy: -78.766 bonds (distance) P-C4' energy: -78.853 flat angles C4'-P-C4' energy: -86.609 flat angles P-C4'-P energy: -55.627 tors. eta vs tors. theta energy: -111.379 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: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1402.619765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.619765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.619765 (E_RNA) where: Base-Base interactions energy: -958.603 where: short stacking energy: -420.835 Base-Backbone interact. energy: -0.948 local terms energy: -443.172922 where: bonds (distance) C4'-P energy: -78.997 bonds (distance) P-C4' energy: -86.974 flat angles C4'-P-C4' energy: -97.348 flat angles P-C4'-P energy: -61.246 tors. eta vs tors. theta energy: -118.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.104 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1313.593387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.593387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.593387 (E_RNA) where: Base-Base interactions energy: -907.526 where: short stacking energy: -416.743 Base-Backbone interact. energy: -2.671 local terms energy: -403.396106 where: bonds (distance) C4'-P energy: -69.430 bonds (distance) P-C4' energy: -77.920 flat angles C4'-P-C4' energy: -83.863 flat angles P-C4'-P energy: -49.864 tors. eta vs tors. theta energy: -122.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1247.471184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.471184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.471184 (E_RNA) where: Base-Base interactions energy: -871.162 where: short stacking energy: -356.745 Base-Backbone interact. energy: -0.622 local terms energy: -375.687236 where: bonds (distance) C4'-P energy: -70.430 bonds (distance) P-C4' energy: -76.650 flat angles C4'-P-C4' energy: -86.273 flat angles P-C4'-P energy: -47.761 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: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1119.393994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.393994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.393994 (E_RNA) where: Base-Base interactions energy: -743.707 where: short stacking energy: -325.060 Base-Backbone interact. energy: -0.723 local terms energy: -374.964303 where: bonds (distance) C4'-P energy: -74.168 bonds (distance) P-C4' energy: -82.435 flat angles C4'-P-C4' energy: -79.226 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -92.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -902.969830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.969830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.969830 (E_RNA) where: Base-Base interactions energy: -587.508 where: short stacking energy: -241.463 Base-Backbone interact. energy: 0.479 local terms energy: -315.940644 where: bonds (distance) C4'-P energy: -56.432 bonds (distance) P-C4' energy: -96.569 flat angles C4'-P-C4' energy: -71.921 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -46.612 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: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -717.474867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.474867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.474867 (E_RNA) where: Base-Base interactions energy: -430.861 where: short stacking energy: -203.449 Base-Backbone interact. energy: 1.197 local terms energy: -288.168509 where: bonds (distance) C4'-P energy: -64.905 bonds (distance) P-C4' energy: -71.723 flat angles C4'-P-C4' energy: -73.173 flat angles P-C4'-P energy: -40.838 tors. eta vs tors. theta energy: -37.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.358 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -551.862480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.862480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.862480 (E_RNA) where: Base-Base interactions energy: -309.199 where: short stacking energy: -171.431 Base-Backbone interact. energy: 2.887 local terms energy: -245.549808 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -77.776 flat angles C4'-P-C4' energy: -60.639 flat angles P-C4'-P energy: -29.844 tors. eta vs tors. theta energy: -15.813 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: 7 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1527.297182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.297182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.297182 (E_RNA) where: Base-Base interactions energy: -1058.095 where: short stacking energy: -431.945 Base-Backbone interact. energy: -0.696 local terms energy: -468.505925 where: bonds (distance) C4'-P energy: -83.395 bonds (distance) P-C4' energy: -91.403 flat angles C4'-P-C4' energy: -100.323 flat angles P-C4'-P energy: -70.774 tors. eta vs tors. theta energy: -122.611 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: 10 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1457.759816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.759816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.759816 (E_RNA) where: Base-Base interactions energy: -1042.474 where: short stacking energy: -410.302 Base-Backbone interact. energy: 0.260 local terms energy: -415.545763 where: bonds (distance) C4'-P energy: -86.841 bonds (distance) P-C4' energy: -64.968 flat angles C4'-P-C4' energy: -88.872 flat angles P-C4'-P energy: -65.920 tors. eta vs tors. theta energy: -108.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1405.355338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.355338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.355338 (E_RNA) where: Base-Base interactions energy: -985.091 where: short stacking energy: -406.302 Base-Backbone interact. energy: -1.401 local terms energy: -418.864253 where: bonds (distance) C4'-P energy: -77.488 bonds (distance) P-C4' energy: -78.700 flat angles C4'-P-C4' energy: -83.458 flat angles P-C4'-P energy: -65.061 tors. eta vs tors. theta energy: -114.158 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: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1406.122934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.122934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.122934 (E_RNA) where: Base-Base interactions energy: -960.762 where: short stacking energy: -417.168 Base-Backbone interact. energy: -2.271 local terms energy: -443.089708 where: bonds (distance) C4'-P energy: -76.589 bonds (distance) P-C4' energy: -87.187 flat angles C4'-P-C4' energy: -93.028 flat angles P-C4'-P energy: -61.518 tors. eta vs tors. theta energy: -124.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1240.260895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.260895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.260895 (E_RNA) where: Base-Base interactions energy: -853.280 where: short stacking energy: -372.782 Base-Backbone interact. energy: 1.137 local terms energy: -388.118774 where: bonds (distance) C4'-P energy: -72.563 bonds (distance) P-C4' energy: -73.359 flat angles C4'-P-C4' energy: -89.253 flat angles P-C4'-P energy: -57.790 tors. eta vs tors. theta energy: -95.154 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: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1273.207949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.207949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.207949 (E_RNA) where: Base-Base interactions energy: -882.697 where: short stacking energy: -389.679 Base-Backbone interact. energy: 0.117 local terms energy: -390.627171 where: bonds (distance) C4'-P energy: -71.884 bonds (distance) P-C4' energy: -82.568 flat angles C4'-P-C4' energy: -75.889 flat angles P-C4'-P energy: -53.870 tors. eta vs tors. theta energy: -106.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1099.634760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.634760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.634760 (E_RNA) where: Base-Base interactions energy: -739.781 where: short stacking energy: -323.127 Base-Backbone interact. energy: -2.300 local terms energy: -357.553778 where: bonds (distance) C4'-P energy: -63.706 bonds (distance) P-C4' energy: -89.512 flat angles C4'-P-C4' energy: -83.340 flat angles P-C4'-P energy: -50.545 tors. eta vs tors. theta energy: -70.450 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: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -863.630385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.630385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.630385 (E_RNA) where: Base-Base interactions energy: -571.435 where: short stacking energy: -263.719 Base-Backbone interact. energy: -0.997 local terms energy: -291.963479 where: bonds (distance) C4'-P energy: -65.837 bonds (distance) P-C4' energy: -74.925 flat angles C4'-P-C4' energy: -71.117 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: -43.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.765 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -711.459404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.459404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.459404 (E_RNA) where: Base-Base interactions energy: -432.450 where: short stacking energy: -213.363 Base-Backbone interact. energy: -1.687 local terms energy: -277.322502 where: bonds (distance) C4'-P energy: -70.694 bonds (distance) P-C4' energy: -70.803 flat angles C4'-P-C4' energy: -52.774 flat angles P-C4'-P energy: -50.765 tors. eta vs tors. theta energy: -32.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -531.366354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.366354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.366354 (E_RNA) where: Base-Base interactions energy: -300.712 where: short stacking energy: -136.462 Base-Backbone interact. energy: 0.049 local terms energy: -230.704131 where: bonds (distance) C4'-P energy: -53.554 bonds (distance) P-C4' energy: -66.907 flat angles C4'-P-C4' energy: -52.857 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1538.827554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.827554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.827554 (E_RNA) where: Base-Base interactions energy: -1104.514 where: short stacking energy: -432.207 Base-Backbone interact. energy: -1.442 local terms energy: -432.872093 where: bonds (distance) C4'-P energy: -81.822 bonds (distance) P-C4' energy: -73.486 flat angles C4'-P-C4' energy: -98.558 flat angles P-C4'-P energy: -57.580 tors. eta vs tors. theta energy: -121.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1471.870679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.870679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.870679 (E_RNA) where: Base-Base interactions energy: -1057.966 where: short stacking energy: -400.803 Base-Backbone interact. energy: 0.214 local terms energy: -414.119218 where: bonds (distance) C4'-P energy: -79.651 bonds (distance) P-C4' energy: -88.547 flat angles C4'-P-C4' energy: -75.781 flat angles P-C4'-P energy: -56.057 tors. eta vs tors. theta energy: -114.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1411.155500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.155500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.155500 (E_RNA) where: Base-Base interactions energy: -980.592 where: short stacking energy: -427.965 Base-Backbone interact. energy: -1.394 local terms energy: -429.170076 where: bonds (distance) C4'-P energy: -79.062 bonds (distance) P-C4' energy: -78.550 flat angles C4'-P-C4' energy: -93.347 flat angles P-C4'-P energy: -65.661 tors. eta vs tors. theta energy: -112.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1288.799552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.799552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.799552 (E_RNA) where: Base-Base interactions energy: -891.477 where: short stacking energy: -388.207 Base-Backbone interact. energy: -1.445 local terms energy: -395.876904 where: bonds (distance) C4'-P energy: -73.939 bonds (distance) P-C4' energy: -71.420 flat angles C4'-P-C4' energy: -89.326 flat angles P-C4'-P energy: -59.995 tors. eta vs tors. theta energy: -101.196 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: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1317.527624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.527624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.527624 (E_RNA) where: Base-Base interactions energy: -930.973 where: short stacking energy: -395.328 Base-Backbone interact. energy: -1.286 local terms energy: -385.268237 where: bonds (distance) C4'-P energy: -83.052 bonds (distance) P-C4' energy: -64.663 flat angles C4'-P-C4' energy: -83.774 flat angles P-C4'-P energy: -56.473 tors. eta vs tors. theta energy: -97.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1268.657223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.657223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.657223 (E_RNA) where: Base-Base interactions energy: -898.859 where: short stacking energy: -401.605 Base-Backbone interact. energy: 0.296 local terms energy: -370.093403 where: bonds (distance) C4'-P energy: -58.575 bonds (distance) P-C4' energy: -79.118 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -43.281 tors. eta vs tors. theta energy: -104.839 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: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1087.220844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.220844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.220844 (E_RNA) where: Base-Base interactions energy: -737.628 where: short stacking energy: -329.620 Base-Backbone interact. energy: -1.334 local terms energy: -348.258277 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -89.377 flat angles C4'-P-C4' energy: -74.941 flat angles P-C4'-P energy: -41.666 tors. eta vs tors. theta energy: -73.776 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: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -862.467834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.467834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.467834 (E_RNA) where: Base-Base interactions energy: -540.995 where: short stacking energy: -227.696 Base-Backbone interact. energy: -2.668 local terms energy: -318.804435 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -77.111 flat angles C4'-P-C4' energy: -80.523 flat angles P-C4'-P energy: -40.435 tors. eta vs tors. theta energy: -45.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -762.568403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.568403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.568403 (E_RNA) where: Base-Base interactions energy: -467.112 where: short stacking energy: -216.291 Base-Backbone interact. energy: -2.170 local terms energy: -293.286405 where: bonds (distance) C4'-P energy: -67.930 bonds (distance) P-C4' energy: -74.030 flat angles C4'-P-C4' energy: -64.537 flat angles P-C4'-P energy: -45.356 tors. eta vs tors. theta energy: -41.434 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: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -527.003693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.003693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.003693 (E_RNA) where: Base-Base interactions energy: -296.698 where: short stacking energy: -122.324 Base-Backbone interact. energy: -1.267 local terms energy: -229.038962 where: bonds (distance) C4'-P energy: -71.513 bonds (distance) P-C4' energy: -58.715 flat angles C4'-P-C4' energy: -61.551 flat angles P-C4'-P energy: -39.580 tors. eta vs tors. theta energy: 2.320 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: 420 Temperature: 0.900000 Total energy: -1534.370363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.370363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.370363 (E_RNA) where: Base-Base interactions energy: -1077.656 where: short stacking energy: -427.876 Base-Backbone interact. energy: -0.758 local terms energy: -455.956096 where: bonds (distance) C4'-P energy: -88.128 bonds (distance) P-C4' energy: -91.065 flat angles C4'-P-C4' energy: -91.511 flat angles P-C4'-P energy: -67.799 tors. eta vs tors. theta energy: -117.453 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: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1498.616830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.616830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.616830 (E_RNA) where: Base-Base interactions energy: -1060.915 where: short stacking energy: -423.024 Base-Backbone interact. energy: 3.492 local terms energy: -441.193517 where: bonds (distance) C4'-P energy: -85.815 bonds (distance) P-C4' energy: -75.990 flat angles C4'-P-C4' energy: -94.559 flat angles P-C4'-P energy: -66.486 tors. eta vs tors. theta energy: -118.344 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: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1424.818810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.818810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.818810 (E_RNA) where: Base-Base interactions energy: -971.100 where: short stacking energy: -430.654 Base-Backbone interact. energy: -1.314 local terms energy: -452.404326 where: bonds (distance) C4'-P energy: -85.242 bonds (distance) P-C4' energy: -82.866 flat angles C4'-P-C4' energy: -101.121 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: -127.158 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: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1328.550588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.550588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.550588 (E_RNA) where: Base-Base interactions energy: -915.050 where: short stacking energy: -403.862 Base-Backbone interact. energy: -0.412 local terms energy: -413.088994 where: bonds (distance) C4'-P energy: -86.821 bonds (distance) P-C4' energy: -80.692 flat angles C4'-P-C4' energy: -89.559 flat angles P-C4'-P energy: -59.824 tors. eta vs tors. theta energy: -96.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1286.425478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.425478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.425478 (E_RNA) where: Base-Base interactions energy: -895.692 where: short stacking energy: -366.288 Base-Backbone interact. energy: 1.517 local terms energy: -392.249927 where: bonds (distance) C4'-P energy: -65.141 bonds (distance) P-C4' energy: -77.964 flat angles C4'-P-C4' energy: -89.128 flat angles P-C4'-P energy: -61.364 tors. eta vs tors. theta energy: -98.653 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: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1262.095768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.095768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.095768 (E_RNA) where: Base-Base interactions energy: -897.223 where: short stacking energy: -396.716 Base-Backbone interact. energy: -2.466 local terms energy: -362.406235 where: bonds (distance) C4'-P energy: -65.227 bonds (distance) P-C4' energy: -69.504 flat angles C4'-P-C4' energy: -75.403 flat angles P-C4'-P energy: -52.504 tors. eta vs tors. theta energy: -99.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1053.601331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.601331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.601331 (E_RNA) where: Base-Base interactions energy: -704.017 where: short stacking energy: -312.150 Base-Backbone interact. energy: 1.489 local terms energy: -351.073719 where: bonds (distance) C4'-P energy: -72.321 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -75.924 flat angles P-C4'-P energy: -62.484 tors. eta vs tors. theta energy: -76.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -892.260989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.260989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.260989 (E_RNA) where: Base-Base interactions energy: -584.828 where: short stacking energy: -239.302 Base-Backbone interact. energy: 1.152 local terms energy: -308.585344 where: bonds (distance) C4'-P energy: -60.406 bonds (distance) P-C4' energy: -80.154 flat angles C4'-P-C4' energy: -76.636 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -50.124 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: 420 Temperature: 1.300000 Total energy: -750.726498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.726498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.726498 (E_RNA) where: Base-Base interactions energy: -455.027 where: short stacking energy: -237.936 Base-Backbone interact. energy: -1.263 local terms energy: -294.436856 where: bonds (distance) C4'-P energy: -60.779 bonds (distance) P-C4' energy: -64.726 flat angles C4'-P-C4' energy: -74.185 flat angles P-C4'-P energy: -44.149 tors. eta vs tors. theta energy: -50.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -521.124615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.124615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.124615 (E_RNA) where: Base-Base interactions energy: -274.599 where: short stacking energy: -143.101 Base-Backbone interact. energy: -0.704 local terms energy: -245.821907 where: bonds (distance) C4'-P energy: -68.646 bonds (distance) P-C4' energy: -65.881 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -36.672 tors. eta vs tors. theta energy: -1.225 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: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1527.189829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.189829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.189829 (E_RNA) where: Base-Base interactions energy: -1074.053 where: short stacking energy: -438.073 Base-Backbone interact. energy: -3.023 local terms energy: -450.114053 where: bonds (distance) C4'-P energy: -85.460 bonds (distance) P-C4' energy: -86.056 flat angles C4'-P-C4' energy: -94.216 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -125.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1495.910012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.910012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.910012 (E_RNA) where: Base-Base interactions energy: -1055.921 where: short stacking energy: -420.262 Base-Backbone interact. energy: -3.796 local terms energy: -436.192963 where: bonds (distance) C4'-P energy: -88.802 bonds (distance) P-C4' energy: -83.749 flat angles C4'-P-C4' energy: -84.440 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: -124.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1424.257397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.257397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.257397 (E_RNA) where: Base-Base interactions energy: -952.941 where: short stacking energy: -426.618 Base-Backbone interact. energy: -1.000 local terms energy: -470.315772 where: bonds (distance) C4'-P energy: -88.664 bonds (distance) P-C4' energy: -96.245 flat angles C4'-P-C4' energy: -96.576 flat angles P-C4'-P energy: -65.795 tors. eta vs tors. theta energy: -123.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1316.600987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.600987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.600987 (E_RNA) where: Base-Base interactions energy: -931.310 where: short stacking energy: -407.734 Base-Backbone interact. energy: -0.481 local terms energy: -384.810245 where: bonds (distance) C4'-P energy: -58.381 bonds (distance) P-C4' energy: -77.017 flat angles C4'-P-C4' energy: -81.382 flat angles P-C4'-P energy: -61.703 tors. eta vs tors. theta energy: -106.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1292.349250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.349250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.349250 (E_RNA) where: Base-Base interactions energy: -893.804 where: short stacking energy: -381.672 Base-Backbone interact. energy: -1.336 local terms energy: -397.209470 where: bonds (distance) C4'-P energy: -64.595 bonds (distance) P-C4' energy: -83.263 flat angles C4'-P-C4' energy: -91.149 flat angles P-C4'-P energy: -49.273 tors. eta vs tors. theta energy: -108.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1223.304652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.304652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.304652 (E_RNA) where: Base-Base interactions energy: -831.502 where: short stacking energy: -355.414 Base-Backbone interact. energy: -1.768 local terms energy: -390.034679 where: bonds (distance) C4'-P energy: -75.856 bonds (distance) P-C4' energy: -73.634 flat angles C4'-P-C4' energy: -86.622 flat angles P-C4'-P energy: -60.340 tors. eta vs tors. theta energy: -93.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1094.871099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.871099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.871099 (E_RNA) where: Base-Base interactions energy: -747.716 where: short stacking energy: -338.132 Base-Backbone interact. energy: 0.879 local terms energy: -348.034333 where: bonds (distance) C4'-P energy: -59.734 bonds (distance) P-C4' energy: -76.058 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -49.934 tors. eta vs tors. theta energy: -87.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -898.431370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.431370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.431370 (E_RNA) where: Base-Base interactions energy: -576.606 where: short stacking energy: -249.185 Base-Backbone interact. energy: -2.813 local terms energy: -319.012793 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -79.082 flat angles C4'-P-C4' energy: -84.132 flat angles P-C4'-P energy: -42.110 tors. eta vs tors. theta energy: -52.236 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: 421 Temperature: 1.300000 Total energy: -725.142399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.142399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.142399 (E_RNA) where: Base-Base interactions energy: -447.197 where: short stacking energy: -217.190 Base-Backbone interact. energy: 0.536 local terms energy: -278.481604 where: bonds (distance) C4'-P energy: -61.384 bonds (distance) P-C4' energy: -70.029 flat angles C4'-P-C4' energy: -69.781 flat angles P-C4'-P energy: -37.655 tors. eta vs tors. theta energy: -39.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -571.574792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.574792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.574792 (E_RNA) where: Base-Base interactions energy: -338.129 where: short stacking energy: -168.345 Base-Backbone interact. energy: 1.922 local terms energy: -235.368345 where: bonds (distance) C4'-P energy: -70.166 bonds (distance) P-C4' energy: -61.931 flat angles C4'-P-C4' energy: -71.118 flat angles P-C4'-P energy: -26.621 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1530.687525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.687525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.687525 (E_RNA) where: Base-Base interactions energy: -1075.385 where: short stacking energy: -432.006 Base-Backbone interact. energy: -2.379 local terms energy: -452.923866 where: bonds (distance) C4'-P energy: -85.085 bonds (distance) P-C4' energy: -82.117 flat angles C4'-P-C4' energy: -97.767 flat angles P-C4'-P energy: -64.289 tors. eta vs tors. theta energy: -123.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1508.190779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.190779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.190779 (E_RNA) where: Base-Base interactions energy: -1057.150 where: short stacking energy: -434.529 Base-Backbone interact. energy: 0.063 local terms energy: -451.103215 where: bonds (distance) C4'-P energy: -83.029 bonds (distance) P-C4' energy: -76.905 flat angles C4'-P-C4' energy: -91.026 flat angles P-C4'-P energy: -70.632 tors. eta vs tors. theta energy: -129.511 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: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1405.679498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.679498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.679498 (E_RNA) where: Base-Base interactions energy: -959.186 where: short stacking energy: -416.324 Base-Backbone interact. energy: -1.943 local terms energy: -444.550817 where: bonds (distance) C4'-P energy: -79.917 bonds (distance) P-C4' energy: -82.484 flat angles C4'-P-C4' energy: -99.811 flat angles P-C4'-P energy: -61.336 tors. eta vs tors. theta energy: -121.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1320.507085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.507085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.507085 (E_RNA) where: Base-Base interactions energy: -900.721 where: short stacking energy: -377.793 Base-Backbone interact. energy: 0.924 local terms energy: -420.710460 where: bonds (distance) C4'-P energy: -83.852 bonds (distance) P-C4' energy: -89.214 flat angles C4'-P-C4' energy: -90.305 flat angles P-C4'-P energy: -57.107 tors. eta vs tors. theta energy: -100.232 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: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1284.406659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.406659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.406659 (E_RNA) where: Base-Base interactions energy: -879.976 where: short stacking energy: -357.107 Base-Backbone interact. energy: -1.598 local terms energy: -402.832354 where: bonds (distance) C4'-P energy: -72.790 bonds (distance) P-C4' energy: -85.245 flat angles C4'-P-C4' energy: -91.808 flat angles P-C4'-P energy: -54.400 tors. eta vs tors. theta energy: -98.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1189.753762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.753762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.753762 (E_RNA) where: Base-Base interactions energy: -804.756 where: short stacking energy: -361.736 Base-Backbone interact. energy: -2.191 local terms energy: -382.806592 where: bonds (distance) C4'-P energy: -70.563 bonds (distance) P-C4' energy: -81.285 flat angles C4'-P-C4' energy: -85.169 flat angles P-C4'-P energy: -56.551 tors. eta vs tors. theta energy: -89.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1116.023984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.023984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.023984 (E_RNA) where: Base-Base interactions energy: -755.389 where: short stacking energy: -341.442 Base-Backbone interact. energy: 2.075 local terms energy: -362.709929 where: bonds (distance) C4'-P energy: -65.387 bonds (distance) P-C4' energy: -75.447 flat angles C4'-P-C4' energy: -82.334 flat angles P-C4'-P energy: -54.108 tors. eta vs tors. theta energy: -85.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -889.831177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.831177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.831177 (E_RNA) where: Base-Base interactions energy: -598.817 where: short stacking energy: -263.458 Base-Backbone interact. energy: -0.434 local terms energy: -290.580775 where: bonds (distance) C4'-P energy: -46.990 bonds (distance) P-C4' energy: -85.901 flat angles C4'-P-C4' energy: -82.726 flat angles P-C4'-P energy: -25.624 tors. eta vs tors. theta energy: -49.340 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: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -697.404900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.404900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.404900 (E_RNA) where: Base-Base interactions energy: -416.570 where: short stacking energy: -218.919 Base-Backbone interact. energy: -3.132 local terms energy: -277.703115 where: bonds (distance) C4'-P energy: -73.562 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -67.711 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -30.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -562.960569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.960569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.960569 (E_RNA) where: Base-Base interactions energy: -294.475 where: short stacking energy: -148.109 Base-Backbone interact. energy: 1.809 local terms energy: -270.295187 where: bonds (distance) C4'-P energy: -69.569 bonds (distance) P-C4' energy: -73.098 flat angles C4'-P-C4' energy: -71.496 flat angles P-C4'-P energy: -45.320 tors. eta vs tors. theta energy: -10.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1557.708908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.708908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.708908 (E_RNA) where: Base-Base interactions energy: -1112.645 where: short stacking energy: -459.794 Base-Backbone interact. energy: -1.260 local terms energy: -443.804440 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -88.301 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -60.049 tors. eta vs tors. theta energy: -118.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1534.655471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.655471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.655471 (E_RNA) where: Base-Base interactions energy: -1096.388 where: short stacking energy: -447.964 Base-Backbone interact. energy: -0.522 local terms energy: -437.746021 where: bonds (distance) C4'-P energy: -84.880 bonds (distance) P-C4' energy: -84.387 flat angles C4'-P-C4' energy: -93.026 flat angles P-C4'-P energy: -54.556 tors. eta vs tors. theta energy: -120.896 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: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1424.095814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.095814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.095814 (E_RNA) where: Base-Base interactions energy: -1009.383 where: short stacking energy: -418.744 Base-Backbone interact. energy: 0.197 local terms energy: -414.910224 where: bonds (distance) C4'-P energy: -69.368 bonds (distance) P-C4' energy: -82.584 flat angles C4'-P-C4' energy: -93.299 flat angles P-C4'-P energy: -53.870 tors. eta vs tors. theta energy: -115.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1304.540096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.540096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.540096 (E_RNA) where: Base-Base interactions energy: -894.221 where: short stacking energy: -406.736 Base-Backbone interact. energy: -0.301 local terms energy: -410.018546 where: bonds (distance) C4'-P energy: -77.487 bonds (distance) P-C4' energy: -79.401 flat angles C4'-P-C4' energy: -91.196 flat angles P-C4'-P energy: -57.954 tors. eta vs tors. theta energy: -103.981 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: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1287.610389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.610389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.610389 (E_RNA) where: Base-Base interactions energy: -900.986 where: short stacking energy: -380.806 Base-Backbone interact. energy: -0.568 local terms energy: -386.056615 where: bonds (distance) C4'-P energy: -81.511 bonds (distance) P-C4' energy: -79.591 flat angles C4'-P-C4' energy: -78.414 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -99.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1224.405190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.405190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.405190 (E_RNA) where: Base-Base interactions energy: -824.670 where: short stacking energy: -365.734 Base-Backbone interact. energy: -1.656 local terms energy: -398.079243 where: bonds (distance) C4'-P energy: -75.440 bonds (distance) P-C4' energy: -88.090 flat angles C4'-P-C4' energy: -83.594 flat angles P-C4'-P energy: -61.625 tors. eta vs tors. theta energy: -89.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1097.978083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.978083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.978083 (E_RNA) where: Base-Base interactions energy: -743.853 where: short stacking energy: -309.444 Base-Backbone interact. energy: -1.466 local terms energy: -352.659405 where: bonds (distance) C4'-P energy: -77.666 bonds (distance) P-C4' energy: -75.020 flat angles C4'-P-C4' energy: -77.280 flat angles P-C4'-P energy: -55.793 tors. eta vs tors. theta energy: -66.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -901.881359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.881359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.881359 (E_RNA) where: Base-Base interactions energy: -610.914 where: short stacking energy: -250.738 Base-Backbone interact. energy: -0.338 local terms energy: -290.629760 where: bonds (distance) C4'-P energy: -51.843 bonds (distance) P-C4' energy: -69.848 flat angles C4'-P-C4' energy: -70.460 flat angles P-C4'-P energy: -52.083 tors. eta vs tors. theta energy: -46.396 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: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -748.422523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.422523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.422523 (E_RNA) where: Base-Base interactions energy: -481.005 where: short stacking energy: -236.211 Base-Backbone interact. energy: 1.009 local terms energy: -268.427364 where: bonds (distance) C4'-P energy: -58.797 bonds (distance) P-C4' energy: -74.728 flat angles C4'-P-C4' energy: -59.728 flat angles P-C4'-P energy: -32.349 tors. eta vs tors. theta energy: -42.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -495.796523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.796523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.796523 (E_RNA) where: Base-Base interactions energy: -235.733 where: short stacking energy: -127.275 Base-Backbone interact. energy: -2.387 local terms energy: -257.676963 where: bonds (distance) C4'-P energy: -69.506 bonds (distance) P-C4' energy: -74.234 flat angles C4'-P-C4' energy: -70.547 flat angles P-C4'-P energy: -45.367 tors. eta vs tors. theta energy: 1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1568.722877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.722877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.722877 (E_RNA) where: Base-Base interactions energy: -1113.380 where: short stacking energy: -458.162 Base-Backbone interact. energy: 0.525 local terms energy: -455.868156 where: bonds (distance) C4'-P energy: -83.366 bonds (distance) P-C4' energy: -84.629 flat angles C4'-P-C4' energy: -100.468 flat angles P-C4'-P energy: -60.322 tors. eta vs tors. theta energy: -127.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1536.144228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.144228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.144228 (E_RNA) where: Base-Base interactions energy: -1103.371 where: short stacking energy: -449.390 Base-Backbone interact. energy: -3.054 local terms energy: -429.718928 where: bonds (distance) C4'-P energy: -74.825 bonds (distance) P-C4' energy: -86.677 flat angles C4'-P-C4' energy: -90.916 flat angles P-C4'-P energy: -53.607 tors. eta vs tors. theta energy: -123.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1415.857029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.857029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.857029 (E_RNA) where: Base-Base interactions energy: -983.172 where: short stacking energy: -439.008 Base-Backbone interact. energy: -3.290 local terms energy: -429.395253 where: bonds (distance) C4'-P energy: -77.249 bonds (distance) P-C4' energy: -72.490 flat angles C4'-P-C4' energy: -92.544 flat angles P-C4'-P energy: -60.687 tors. eta vs tors. theta energy: -126.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1306.055558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.055558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.055558 (E_RNA) where: Base-Base interactions energy: -915.728 where: short stacking energy: -379.862 Base-Backbone interact. energy: -2.429 local terms energy: -387.899196 where: bonds (distance) C4'-P energy: -71.849 bonds (distance) P-C4' energy: -74.936 flat angles C4'-P-C4' energy: -86.631 flat angles P-C4'-P energy: -61.860 tors. eta vs tors. theta energy: -92.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1297.759900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.759900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.759900 (E_RNA) where: Base-Base interactions energy: -865.796 where: short stacking energy: -389.701 Base-Backbone interact. energy: 1.732 local terms energy: -433.696357 where: bonds (distance) C4'-P energy: -89.841 bonds (distance) P-C4' energy: -91.344 flat angles C4'-P-C4' energy: -89.728 flat angles P-C4'-P energy: -60.029 tors. eta vs tors. theta energy: -102.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1246.697832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.697832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.697832 (E_RNA) where: Base-Base interactions energy: -868.838 where: short stacking energy: -355.945 Base-Backbone interact. energy: -2.441 local terms energy: -375.419560 where: bonds (distance) C4'-P energy: -65.171 bonds (distance) P-C4' energy: -83.506 flat angles C4'-P-C4' energy: -81.859 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -90.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1068.849863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.849863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.849863 (E_RNA) where: Base-Base interactions energy: -708.497 where: short stacking energy: -314.547 Base-Backbone interact. energy: -1.085 local terms energy: -359.268388 where: bonds (distance) C4'-P energy: -80.398 bonds (distance) P-C4' energy: -75.255 flat angles C4'-P-C4' energy: -77.929 flat angles P-C4'-P energy: -55.375 tors. eta vs tors. theta energy: -70.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -878.787355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.787355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.787355 (E_RNA) where: Base-Base interactions energy: -567.451 where: short stacking energy: -245.942 Base-Backbone interact. energy: 1.061 local terms energy: -312.397591 where: bonds (distance) C4'-P energy: -69.222 bonds (distance) P-C4' energy: -68.243 flat angles C4'-P-C4' energy: -71.040 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -62.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -794.337339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.337339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.337339 (E_RNA) where: Base-Base interactions energy: -479.644 where: short stacking energy: -209.474 Base-Backbone interact. energy: -1.289 local terms energy: -313.404041 where: bonds (distance) C4'-P energy: -57.083 bonds (distance) P-C4' energy: -72.797 flat angles C4'-P-C4' energy: -80.236 flat angles P-C4'-P energy: -58.855 tors. eta vs tors. theta energy: -44.433 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: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -534.300929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.300929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.300929 (E_RNA) where: Base-Base interactions energy: -283.590 where: short stacking energy: -140.075 Base-Backbone interact. energy: -1.558 local terms energy: -249.152725 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -87.141 flat angles C4'-P-C4' energy: -58.786 flat angles P-C4'-P energy: -35.481 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1567.222625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.222625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.222625 (E_RNA) where: Base-Base interactions energy: -1113.047 where: short stacking energy: -444.512 Base-Backbone interact. energy: -1.129 local terms energy: -453.046265 where: bonds (distance) C4'-P energy: -82.609 bonds (distance) P-C4' energy: -86.797 flat angles C4'-P-C4' energy: -94.942 flat angles P-C4'-P energy: -63.863 tors. eta vs tors. theta energy: -124.835 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: 10 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1493.777290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.777290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.777290 (E_RNA) where: Base-Base interactions energy: -1060.300 where: short stacking energy: -414.925 Base-Backbone interact. energy: -3.536 local terms energy: -429.941205 where: bonds (distance) C4'-P energy: -81.891 bonds (distance) P-C4' energy: -83.788 flat angles C4'-P-C4' energy: -84.836 flat angles P-C4'-P energy: -60.435 tors. eta vs tors. theta energy: -118.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1409.819401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.819401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.819401 (E_RNA) where: Base-Base interactions energy: -996.280 where: short stacking energy: -407.415 Base-Backbone interact. energy: 3.570 local terms energy: -417.109666 where: bonds (distance) C4'-P energy: -76.853 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -91.985 flat angles P-C4'-P energy: -59.082 tors. eta vs tors. theta energy: -114.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1305.453214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.453214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.453214 (E_RNA) where: Base-Base interactions energy: -880.901 where: short stacking energy: -417.751 Base-Backbone interact. energy: -1.679 local terms energy: -422.874135 where: bonds (distance) C4'-P energy: -70.081 bonds (distance) P-C4' energy: -89.442 flat angles C4'-P-C4' energy: -94.088 flat angles P-C4'-P energy: -59.071 tors. eta vs tors. theta energy: -110.192 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: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1291.323139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.323139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.323139 (E_RNA) where: Base-Base interactions energy: -892.564 where: short stacking energy: -371.832 Base-Backbone interact. energy: 0.036 local terms energy: -398.795954 where: bonds (distance) C4'-P energy: -64.186 bonds (distance) P-C4' energy: -84.240 flat angles C4'-P-C4' energy: -87.149 flat angles P-C4'-P energy: -61.184 tors. eta vs tors. theta energy: -102.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1229.872267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.872267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.872267 (E_RNA) where: Base-Base interactions energy: -843.885 where: short stacking energy: -374.920 Base-Backbone interact. energy: -1.845 local terms energy: -384.142431 where: bonds (distance) C4'-P energy: -73.628 bonds (distance) P-C4' energy: -70.328 flat angles C4'-P-C4' energy: -96.101 flat angles P-C4'-P energy: -55.246 tors. eta vs tors. theta energy: -88.839 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: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1083.816008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.816008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.816008 (E_RNA) where: Base-Base interactions energy: -714.245 where: short stacking energy: -322.655 Base-Backbone interact. energy: 0.530 local terms energy: -370.100787 where: bonds (distance) C4'-P energy: -85.951 bonds (distance) P-C4' energy: -67.818 flat angles C4'-P-C4' energy: -82.608 flat angles P-C4'-P energy: -49.085 tors. eta vs tors. theta energy: -84.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -860.598547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.598547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.598547 (E_RNA) where: Base-Base interactions energy: -561.600 where: short stacking energy: -242.893 Base-Backbone interact. energy: -2.134 local terms energy: -296.864349 where: bonds (distance) C4'-P energy: -66.723 bonds (distance) P-C4' energy: -75.374 flat angles C4'-P-C4' energy: -81.656 flat angles P-C4'-P energy: -28.750 tors. eta vs tors. theta energy: -44.362 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: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -788.128176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.128176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.128176 (E_RNA) where: Base-Base interactions energy: -498.959 where: short stacking energy: -233.375 Base-Backbone interact. energy: -2.068 local terms energy: -287.101061 where: bonds (distance) C4'-P energy: -72.361 bonds (distance) P-C4' energy: -68.906 flat angles C4'-P-C4' energy: -56.831 flat angles P-C4'-P energy: -37.016 tors. eta vs tors. theta energy: -51.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -553.901689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.901689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.901689 (E_RNA) where: Base-Base interactions energy: -265.877 where: short stacking energy: -153.635 Base-Backbone interact. energy: 1.768 local terms energy: -289.793036 where: bonds (distance) C4'-P energy: -77.033 bonds (distance) P-C4' energy: -73.160 flat angles C4'-P-C4' energy: -68.017 flat angles P-C4'-P energy: -52.871 tors. eta vs tors. theta energy: -18.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1539.815728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.815728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.815728 (E_RNA) where: Base-Base interactions energy: -1080.013 where: short stacking energy: -452.104 Base-Backbone interact. energy: -1.930 local terms energy: -457.872226 where: bonds (distance) C4'-P energy: -91.274 bonds (distance) P-C4' energy: -91.229 flat angles C4'-P-C4' energy: -93.267 flat angles P-C4'-P energy: -58.535 tors. eta vs tors. theta energy: -123.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1512.142316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.142316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.142316 (E_RNA) where: Base-Base interactions energy: -1088.951 where: short stacking energy: -444.030 Base-Backbone interact. energy: 2.224 local terms energy: -425.415274 where: bonds (distance) C4'-P energy: -76.474 bonds (distance) P-C4' energy: -77.909 flat angles C4'-P-C4' energy: -89.753 flat angles P-C4'-P energy: -51.584 tors. eta vs tors. theta energy: -129.696 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: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1359.796040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.796040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.796040 (E_RNA) where: Base-Base interactions energy: -923.886 where: short stacking energy: -432.644 Base-Backbone interact. energy: 0.709 local terms energy: -436.618968 where: bonds (distance) C4'-P energy: -87.856 bonds (distance) P-C4' energy: -79.873 flat angles C4'-P-C4' energy: -82.236 flat angles P-C4'-P energy: -72.713 tors. eta vs tors. theta energy: -113.941 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: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1397.793938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.793938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.793938 (E_RNA) where: Base-Base interactions energy: -954.965 where: short stacking energy: -422.679 Base-Backbone interact. energy: -2.628 local terms energy: -440.201272 where: bonds (distance) C4'-P energy: -83.351 bonds (distance) P-C4' energy: -83.002 flat angles C4'-P-C4' energy: -90.785 flat angles P-C4'-P energy: -62.456 tors. eta vs tors. theta energy: -120.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1266.887151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.887151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.887151 (E_RNA) where: Base-Base interactions energy: -892.486 where: short stacking energy: -385.722 Base-Backbone interact. energy: -1.367 local terms energy: -373.034592 where: bonds (distance) C4'-P energy: -60.061 bonds (distance) P-C4' energy: -73.653 flat angles C4'-P-C4' energy: -86.808 flat angles P-C4'-P energy: -55.533 tors. eta vs tors. theta energy: -96.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1238.312865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.312865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.312865 (E_RNA) where: Base-Base interactions energy: -858.111 where: short stacking energy: -383.135 Base-Backbone interact. energy: -1.421 local terms energy: -378.780524 where: bonds (distance) C4'-P energy: -62.107 bonds (distance) P-C4' energy: -75.225 flat angles C4'-P-C4' energy: -88.950 flat angles P-C4'-P energy: -47.462 tors. eta vs tors. theta energy: -105.037 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: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1123.867702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.867702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.867702 (E_RNA) where: Base-Base interactions energy: -740.773 where: short stacking energy: -336.547 Base-Backbone interact. energy: -1.800 local terms energy: -381.295030 where: bonds (distance) C4'-P energy: -75.360 bonds (distance) P-C4' energy: -78.438 flat angles C4'-P-C4' energy: -75.151 flat angles P-C4'-P energy: -61.540 tors. eta vs tors. theta energy: -90.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -872.074653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.074653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.074653 (E_RNA) where: Base-Base interactions energy: -585.162 where: short stacking energy: -259.562 Base-Backbone interact. energy: -1.255 local terms energy: -287.198924 where: bonds (distance) C4'-P energy: -60.902 bonds (distance) P-C4' energy: -70.078 flat angles C4'-P-C4' energy: -77.378 flat angles P-C4'-P energy: -35.180 tors. eta vs tors. theta energy: -43.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.541 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -750.537342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.537342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.537342 (E_RNA) where: Base-Base interactions energy: -489.825 where: short stacking energy: -223.088 Base-Backbone interact. energy: -0.386 local terms energy: -260.327161 where: bonds (distance) C4'-P energy: -62.402 bonds (distance) P-C4' energy: -66.585 flat angles C4'-P-C4' energy: -71.122 flat angles P-C4'-P energy: -22.918 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: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -525.868604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.868604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.868604 (E_RNA) where: Base-Base interactions energy: -272.023 where: short stacking energy: -127.787 Base-Backbone interact. energy: -1.521 local terms energy: -252.324364 where: bonds (distance) C4'-P energy: -70.789 bonds (distance) P-C4' energy: -79.509 flat angles C4'-P-C4' energy: -69.184 flat angles P-C4'-P energy: -41.456 tors. eta vs tors. theta energy: 8.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1528.421486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.421486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.421486 (E_RNA) where: Base-Base interactions energy: -1088.807 where: short stacking energy: -444.488 Base-Backbone interact. energy: -1.871 local terms energy: -437.743414 where: bonds (distance) C4'-P energy: -88.205 bonds (distance) P-C4' energy: -87.263 flat angles C4'-P-C4' energy: -93.943 flat angles P-C4'-P energy: -48.519 tors. eta vs tors. theta energy: -119.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1487.768032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.768032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.768032 (E_RNA) where: Base-Base interactions energy: -1046.512 where: short stacking energy: -424.833 Base-Backbone interact. energy: -3.241 local terms energy: -438.014118 where: bonds (distance) C4'-P energy: -83.225 bonds (distance) P-C4' energy: -80.581 flat angles C4'-P-C4' energy: -91.010 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -125.253 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: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1369.368776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.368776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.368776 (E_RNA) where: Base-Base interactions energy: -940.783 where: short stacking energy: -410.413 Base-Backbone interact. energy: -1.087 local terms energy: -427.498556 where: bonds (distance) C4'-P energy: -67.705 bonds (distance) P-C4' energy: -82.384 flat angles C4'-P-C4' energy: -95.751 flat angles P-C4'-P energy: -57.065 tors. eta vs tors. theta energy: -124.593 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: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1376.118602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.118602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.118602 (E_RNA) where: Base-Base interactions energy: -950.672 where: short stacking energy: -411.132 Base-Backbone interact. energy: -4.373 local terms energy: -421.074087 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -83.117 flat angles C4'-P-C4' energy: -95.427 flat angles P-C4'-P energy: -55.810 tors. eta vs tors. theta energy: -123.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1282.740240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.740240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.740240 (E_RNA) where: Base-Base interactions energy: -866.581 where: short stacking energy: -395.252 Base-Backbone interact. energy: -0.408 local terms energy: -415.750902 where: bonds (distance) C4'-P energy: -78.883 bonds (distance) P-C4' energy: -79.811 flat angles C4'-P-C4' energy: -95.762 flat angles P-C4'-P energy: -57.077 tors. eta vs tors. theta energy: -104.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1237.574471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.574471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.574471 (E_RNA) where: Base-Base interactions energy: -852.935 where: short stacking energy: -357.144 Base-Backbone interact. energy: 0.957 local terms energy: -385.596752 where: bonds (distance) C4'-P energy: -67.211 bonds (distance) P-C4' energy: -90.592 flat angles C4'-P-C4' energy: -85.444 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -95.727 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: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1089.875724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.875724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.875724 (E_RNA) where: Base-Base interactions energy: -714.482 where: short stacking energy: -314.645 Base-Backbone interact. energy: 2.339 local terms energy: -377.732513 where: bonds (distance) C4'-P energy: -81.854 bonds (distance) P-C4' energy: -76.853 flat angles C4'-P-C4' energy: -84.037 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -85.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -865.946492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.946492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.946492 (E_RNA) where: Base-Base interactions energy: -562.568 where: short stacking energy: -232.521 Base-Backbone interact. energy: 3.625 local terms energy: -307.004103 where: bonds (distance) C4'-P energy: -61.427 bonds (distance) P-C4' energy: -78.535 flat angles C4'-P-C4' energy: -78.419 flat angles P-C4'-P energy: -50.292 tors. eta vs tors. theta energy: -38.331 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: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -731.622203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.622203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.622203 (E_RNA) where: Base-Base interactions energy: -427.437 where: short stacking energy: -217.309 Base-Backbone interact. energy: -1.338 local terms energy: -302.846885 where: bonds (distance) C4'-P energy: -69.894 bonds (distance) P-C4' energy: -79.298 flat angles C4'-P-C4' energy: -65.574 flat angles P-C4'-P energy: -44.941 tors. eta vs tors. theta energy: -43.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -585.801478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.801478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.801478 (E_RNA) where: Base-Base interactions energy: -330.235 where: short stacking energy: -157.359 Base-Backbone interact. energy: -2.621 local terms energy: -252.945167 where: bonds (distance) C4'-P energy: -67.377 bonds (distance) P-C4' energy: -73.617 flat angles C4'-P-C4' energy: -62.600 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1494.414313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.414313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.414313 (E_RNA) where: Base-Base interactions energy: -1036.304 where: short stacking energy: -420.811 Base-Backbone interact. energy: -5.202 local terms energy: -452.908030 where: bonds (distance) C4'-P energy: -85.092 bonds (distance) P-C4' energy: -91.524 flat angles C4'-P-C4' energy: -99.543 flat angles P-C4'-P energy: -60.767 tors. eta vs tors. theta energy: -115.982 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: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1500.498905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.498905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.498905 (E_RNA) where: Base-Base interactions energy: -1047.786 where: short stacking energy: -414.203 Base-Backbone interact. energy: -2.219 local terms energy: -450.494351 where: bonds (distance) C4'-P energy: -79.802 bonds (distance) P-C4' energy: -97.041 flat angles C4'-P-C4' energy: -87.301 flat angles P-C4'-P energy: -67.467 tors. eta vs tors. theta energy: -118.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1421.406508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.406508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.406508 (E_RNA) where: Base-Base interactions energy: -978.246 where: short stacking energy: -422.183 Base-Backbone interact. energy: -0.544 local terms energy: -442.615883 where: bonds (distance) C4'-P energy: -77.007 bonds (distance) P-C4' energy: -83.395 flat angles C4'-P-C4' energy: -93.608 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -122.569 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: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1360.991599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.991599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.991599 (E_RNA) where: Base-Base interactions energy: -940.293 where: short stacking energy: -424.460 Base-Backbone interact. energy: -1.123 local terms energy: -419.575101 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -82.218 flat angles C4'-P-C4' energy: -90.817 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -116.741 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: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1316.381283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.381283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.381283 (E_RNA) where: Base-Base interactions energy: -902.304 where: short stacking energy: -381.373 Base-Backbone interact. energy: -1.823 local terms energy: -412.254427 where: bonds (distance) C4'-P energy: -77.460 bonds (distance) P-C4' energy: -73.895 flat angles C4'-P-C4' energy: -88.106 flat angles P-C4'-P energy: -71.626 tors. eta vs tors. theta energy: -101.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1229.454295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.454295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.454295 (E_RNA) where: Base-Base interactions energy: -856.582 where: short stacking energy: -347.027 Base-Backbone interact. energy: -1.404 local terms energy: -371.467987 where: bonds (distance) C4'-P energy: -76.135 bonds (distance) P-C4' energy: -78.815 flat angles C4'-P-C4' energy: -86.307 flat angles P-C4'-P energy: -52.686 tors. eta vs tors. theta energy: -77.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1080.215093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.215093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.215093 (E_RNA) where: Base-Base interactions energy: -723.010 where: short stacking energy: -319.393 Base-Backbone interact. energy: -1.099 local terms energy: -356.397655 where: bonds (distance) C4'-P energy: -72.725 bonds (distance) P-C4' energy: -85.566 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -52.201 tors. eta vs tors. theta energy: -76.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.291 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -898.347089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.347089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.347089 (E_RNA) where: Base-Base interactions energy: -595.667 where: short stacking energy: -270.470 Base-Backbone interact. energy: 2.189 local terms energy: -304.868486 where: bonds (distance) C4'-P energy: -67.558 bonds (distance) P-C4' energy: -75.048 flat angles C4'-P-C4' energy: -68.747 flat angles P-C4'-P energy: -40.460 tors. eta vs tors. theta energy: -53.055 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: 428 Temperature: 1.300000 Total energy: -699.294136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.294136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.294136 (E_RNA) where: Base-Base interactions energy: -442.025 where: short stacking energy: -198.418 Base-Backbone interact. energy: -1.948 local terms energy: -255.320561 where: bonds (distance) C4'-P energy: -75.149 bonds (distance) P-C4' energy: -63.463 flat angles C4'-P-C4' energy: -55.853 flat angles P-C4'-P energy: -33.207 tors. eta vs tors. theta energy: -27.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -534.914081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.914081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.914081 (E_RNA) where: Base-Base interactions energy: -298.967 where: short stacking energy: -142.401 Base-Backbone interact. energy: -1.629 local terms energy: -234.318242 where: bonds (distance) C4'-P energy: -57.172 bonds (distance) P-C4' energy: -78.157 flat angles C4'-P-C4' energy: -58.885 flat angles P-C4'-P energy: -33.617 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: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1519.489838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.489838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.489838 (E_RNA) where: Base-Base interactions energy: -1080.667 where: short stacking energy: -436.008 Base-Backbone interact. energy: -3.075 local terms energy: -435.747388 where: bonds (distance) C4'-P energy: -86.012 bonds (distance) P-C4' energy: -84.228 flat angles C4'-P-C4' energy: -96.436 flat angles P-C4'-P energy: -51.082 tors. eta vs tors. theta energy: -117.989 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: 7 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1530.688653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.688653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.688653 (E_RNA) where: Base-Base interactions energy: -1075.580 where: short stacking energy: -421.292 Base-Backbone interact. energy: 1.143 local terms energy: -456.251245 where: bonds (distance) C4'-P energy: -88.381 bonds (distance) P-C4' energy: -80.724 flat angles C4'-P-C4' energy: -102.557 flat angles P-C4'-P energy: -61.435 tors. eta vs tors. theta energy: -123.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1418.651114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.651114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.651114 (E_RNA) where: Base-Base interactions energy: -974.456 where: short stacking energy: -423.162 Base-Backbone interact. energy: -2.040 local terms energy: -442.154673 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -86.795 flat angles C4'-P-C4' energy: -93.793 flat angles P-C4'-P energy: -62.001 tors. eta vs tors. theta energy: -120.735 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: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1313.061027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.061027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.061027 (E_RNA) where: Base-Base interactions energy: -901.058 where: short stacking energy: -413.011 Base-Backbone interact. energy: -2.190 local terms energy: -409.813243 where: bonds (distance) C4'-P energy: -76.980 bonds (distance) P-C4' energy: -73.805 flat angles C4'-P-C4' energy: -83.257 flat angles P-C4'-P energy: -58.718 tors. eta vs tors. theta energy: -117.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1256.347450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.347450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.347450 (E_RNA) where: Base-Base interactions energy: -872.245 where: short stacking energy: -367.430 Base-Backbone interact. energy: -3.737 local terms energy: -380.365511 where: bonds (distance) C4'-P energy: -77.744 bonds (distance) P-C4' energy: -80.796 flat angles C4'-P-C4' energy: -84.813 flat angles P-C4'-P energy: -38.548 tors. eta vs tors. theta energy: -98.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1204.320564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.320564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.320564 (E_RNA) where: Base-Base interactions energy: -839.700 where: short stacking energy: -331.875 Base-Backbone interact. energy: -0.463 local terms energy: -364.157907 where: bonds (distance) C4'-P energy: -73.727 bonds (distance) P-C4' energy: -76.547 flat angles C4'-P-C4' energy: -87.028 flat angles P-C4'-P energy: -49.368 tors. eta vs tors. theta energy: -77.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1102.512517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.512517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.512517 (E_RNA) where: Base-Base interactions energy: -746.303 where: short stacking energy: -332.340 Base-Backbone interact. energy: -1.654 local terms energy: -354.556295 where: bonds (distance) C4'-P energy: -70.272 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -79.883 flat angles P-C4'-P energy: -49.840 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: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -868.309555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.309555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.309555 (E_RNA) where: Base-Base interactions energy: -557.568 where: short stacking energy: -233.556 Base-Backbone interact. energy: -0.980 local terms energy: -309.761404 where: bonds (distance) C4'-P energy: -71.939 bonds (distance) P-C4' energy: -62.093 flat angles C4'-P-C4' energy: -72.237 flat angles P-C4'-P energy: -49.209 tors. eta vs tors. theta energy: -54.282 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: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -760.485009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.485009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.485009 (E_RNA) where: Base-Base interactions energy: -446.938 where: short stacking energy: -209.806 Base-Backbone interact. energy: -0.525 local terms energy: -313.021979 where: bonds (distance) C4'-P energy: -60.201 bonds (distance) P-C4' energy: -86.807 flat angles C4'-P-C4' energy: -89.803 flat angles P-C4'-P energy: -50.906 tors. eta vs tors. theta energy: -25.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -536.762721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.762721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.762721 (E_RNA) where: Base-Base interactions energy: -307.375 where: short stacking energy: -155.187 Base-Backbone interact. energy: 0.051 local terms energy: -229.438151 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -74.165 flat angles C4'-P-C4' energy: -56.096 flat angles P-C4'-P energy: -44.216 tors. eta vs tors. theta energy: 4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1537.535003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.535003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.535003 (E_RNA) where: Base-Base interactions energy: -1093.196 where: short stacking energy: -422.303 Base-Backbone interact. energy: -0.945 local terms energy: -443.394262 where: bonds (distance) C4'-P energy: -84.645 bonds (distance) P-C4' energy: -85.261 flat angles C4'-P-C4' energy: -95.089 flat angles P-C4'-P energy: -59.576 tors. eta vs tors. theta energy: -118.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1469.310866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.310866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.310866 (E_RNA) where: Base-Base interactions energy: -1026.927 where: short stacking energy: -427.943 Base-Backbone interact. energy: -2.215 local terms energy: -440.169367 where: bonds (distance) C4'-P energy: -84.277 bonds (distance) P-C4' energy: -82.873 flat angles C4'-P-C4' energy: -98.945 flat angles P-C4'-P energy: -65.232 tors. eta vs tors. theta energy: -108.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1396.973534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.973534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.973534 (E_RNA) where: Base-Base interactions energy: -967.691 where: short stacking energy: -410.266 Base-Backbone interact. energy: -1.938 local terms energy: -427.344571 where: bonds (distance) C4'-P energy: -71.027 bonds (distance) P-C4' energy: -81.158 flat angles C4'-P-C4' energy: -99.650 flat angles P-C4'-P energy: -53.313 tors. eta vs tors. theta energy: -122.197 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: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1313.238297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.238297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.238297 (E_RNA) where: Base-Base interactions energy: -887.920 where: short stacking energy: -392.766 Base-Backbone interact. energy: -3.367 local terms energy: -421.951584 where: bonds (distance) C4'-P energy: -83.136 bonds (distance) P-C4' energy: -74.117 flat angles C4'-P-C4' energy: -86.214 flat angles P-C4'-P energy: -60.140 tors. eta vs tors. theta energy: -118.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1211.628347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.628347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.628347 (E_RNA) where: Base-Base interactions energy: -836.528 where: short stacking energy: -359.921 Base-Backbone interact. energy: 0.993 local terms energy: -376.092659 where: bonds (distance) C4'-P energy: -77.607 bonds (distance) P-C4' energy: -70.531 flat angles C4'-P-C4' energy: -88.261 flat angles P-C4'-P energy: -55.605 tors. eta vs tors. theta energy: -84.089 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: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1241.277632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.277632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.277632 (E_RNA) where: Base-Base interactions energy: -856.905 where: short stacking energy: -359.383 Base-Backbone interact. energy: -1.313 local terms energy: -383.059182 where: bonds (distance) C4'-P energy: -70.319 bonds (distance) P-C4' energy: -78.755 flat angles C4'-P-C4' energy: -80.442 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: -98.079 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: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1104.329091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.329091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.329091 (E_RNA) where: Base-Base interactions energy: -715.342 where: short stacking energy: -314.019 Base-Backbone interact. energy: -0.394 local terms energy: -388.593545 where: bonds (distance) C4'-P energy: -80.854 bonds (distance) P-C4' energy: -83.014 flat angles C4'-P-C4' energy: -81.306 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -84.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -916.959097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.959097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.959097 (E_RNA) where: Base-Base interactions energy: -623.012 where: short stacking energy: -282.459 Base-Backbone interact. energy: 2.008 local terms energy: -295.955542 where: bonds (distance) C4'-P energy: -55.561 bonds (distance) P-C4' energy: -65.058 flat angles C4'-P-C4' energy: -69.707 flat angles P-C4'-P energy: -50.099 tors. eta vs tors. theta energy: -55.531 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: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -586.791537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.791537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.791537 (E_RNA) where: Base-Base interactions energy: -337.324 where: short stacking energy: -167.767 Base-Backbone interact. energy: 1.497 local terms energy: -250.964949 where: bonds (distance) C4'-P energy: -66.281 bonds (distance) P-C4' energy: -68.729 flat angles C4'-P-C4' energy: -66.107 flat angles P-C4'-P energy: -47.747 tors. eta vs tors. theta energy: -2.101 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: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -680.130960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.130960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.130960 (E_RNA) where: Base-Base interactions energy: -405.028 where: short stacking energy: -192.689 Base-Backbone interact. energy: 2.675 local terms energy: -277.778552 where: bonds (distance) C4'-P energy: -66.888 bonds (distance) P-C4' energy: -77.704 flat angles C4'-P-C4' energy: -68.148 flat angles P-C4'-P energy: -29.011 tors. eta vs tors. theta energy: -36.027 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: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1572.672010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.672010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.672010 (E_RNA) where: Base-Base interactions energy: -1120.629 where: short stacking energy: -433.022 Base-Backbone interact. energy: -2.461 local terms energy: -449.582385 where: bonds (distance) C4'-P energy: -85.527 bonds (distance) P-C4' energy: -81.979 flat angles C4'-P-C4' energy: -95.097 flat angles P-C4'-P energy: -58.839 tors. eta vs tors. theta energy: -128.141 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: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1467.245208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.245208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.245208 (E_RNA) where: Base-Base interactions energy: -1047.206 where: short stacking energy: -434.484 Base-Backbone interact. energy: 2.042 local terms energy: -422.081174 where: bonds (distance) C4'-P energy: -77.867 bonds (distance) P-C4' energy: -84.688 flat angles C4'-P-C4' energy: -81.971 flat angles P-C4'-P energy: -67.300 tors. eta vs tors. theta energy: -110.255 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: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1440.836230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.836230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.836230 (E_RNA) where: Base-Base interactions energy: -995.615 where: short stacking energy: -420.902 Base-Backbone interact. energy: -1.425 local terms energy: -443.795718 where: bonds (distance) C4'-P energy: -75.118 bonds (distance) P-C4' energy: -85.128 flat angles C4'-P-C4' energy: -101.086 flat angles P-C4'-P energy: -62.642 tors. eta vs tors. theta energy: -119.823 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: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1340.952142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.952142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.952142 (E_RNA) where: Base-Base interactions energy: -914.324 where: short stacking energy: -419.726 Base-Backbone interact. energy: -1.154 local terms energy: -426.300138 where: bonds (distance) C4'-P energy: -83.100 bonds (distance) P-C4' energy: -70.144 flat angles C4'-P-C4' energy: -95.477 flat angles P-C4'-P energy: -55.155 tors. eta vs tors. theta energy: -122.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.826 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1262.450460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.450460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.450460 (E_RNA) where: Base-Base interactions energy: -880.528 where: short stacking energy: -395.683 Base-Backbone interact. energy: -1.368 local terms energy: -380.554579 where: bonds (distance) C4'-P energy: -69.784 bonds (distance) P-C4' energy: -80.704 flat angles C4'-P-C4' energy: -82.948 flat angles P-C4'-P energy: -45.028 tors. eta vs tors. theta energy: -102.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1221.983321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.983321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.983321 (E_RNA) where: Base-Base interactions energy: -840.202 where: short stacking energy: -357.466 Base-Backbone interact. energy: -1.174 local terms energy: -380.606356 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -80.527 flat angles C4'-P-C4' energy: -87.058 flat angles P-C4'-P energy: -57.702 tors. eta vs tors. theta energy: -90.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1115.485397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.485397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.485397 (E_RNA) where: Base-Base interactions energy: -765.076 where: short stacking energy: -311.570 Base-Backbone interact. energy: -0.429 local terms energy: -349.980977 where: bonds (distance) C4'-P energy: -76.843 bonds (distance) P-C4' energy: -64.604 flat angles C4'-P-C4' energy: -80.015 flat angles P-C4'-P energy: -60.424 tors. eta vs tors. theta energy: -68.096 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: 431 Temperature: 1.250000 Total energy: -908.540074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.540074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.540074 (E_RNA) where: Base-Base interactions energy: -609.128 where: short stacking energy: -259.660 Base-Backbone interact. energy: -1.668 local terms energy: -297.744182 where: bonds (distance) C4'-P energy: -57.300 bonds (distance) P-C4' energy: -74.018 flat angles C4'-P-C4' energy: -69.829 flat angles P-C4'-P energy: -44.136 tors. eta vs tors. theta energy: -52.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -624.618268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.618268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.618268 (E_RNA) where: Base-Base interactions energy: -367.310 where: short stacking energy: -185.387 Base-Backbone interact. energy: -0.923 local terms energy: -256.385648 where: bonds (distance) C4'-P energy: -66.923 bonds (distance) P-C4' energy: -75.042 flat angles C4'-P-C4' energy: -71.222 flat angles P-C4'-P energy: -37.062 tors. eta vs tors. theta energy: -6.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -606.855407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.855407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.855407 (E_RNA) where: Base-Base interactions energy: -348.277 where: short stacking energy: -179.099 Base-Backbone interact. energy: 3.036 local terms energy: -261.614905 where: bonds (distance) C4'-P energy: -69.414 bonds (distance) P-C4' energy: -60.914 flat angles C4'-P-C4' energy: -65.929 flat angles P-C4'-P energy: -39.558 tors. eta vs tors. theta energy: -25.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1572.400979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.400979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.400979 (E_RNA) where: Base-Base interactions energy: -1131.598 where: short stacking energy: -443.778 Base-Backbone interact. energy: -1.303 local terms energy: -439.500081 where: bonds (distance) C4'-P energy: -87.631 bonds (distance) P-C4' energy: -84.047 flat angles C4'-P-C4' energy: -91.412 flat angles P-C4'-P energy: -60.289 tors. eta vs tors. theta energy: -116.121 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: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1474.811489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.811489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.811489 (E_RNA) where: Base-Base interactions energy: -1048.394 where: short stacking energy: -426.711 Base-Backbone interact. energy: -2.818 local terms energy: -423.598937 where: bonds (distance) C4'-P energy: -75.245 bonds (distance) P-C4' energy: -74.291 flat angles C4'-P-C4' energy: -93.893 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: -118.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1400.774026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.774026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.774026 (E_RNA) where: Base-Base interactions energy: -959.712 where: short stacking energy: -433.355 Base-Backbone interact. energy: -0.311 local terms energy: -440.751241 where: bonds (distance) C4'-P energy: -72.521 bonds (distance) P-C4' energy: -86.004 flat angles C4'-P-C4' energy: -102.198 flat angles P-C4'-P energy: -59.753 tors. eta vs tors. theta energy: -120.275 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: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1302.067288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.067288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.067288 (E_RNA) where: Base-Base interactions energy: -881.942 where: short stacking energy: -383.246 Base-Backbone interact. energy: -0.890 local terms energy: -419.234955 where: bonds (distance) C4'-P energy: -68.009 bonds (distance) P-C4' energy: -91.413 flat angles C4'-P-C4' energy: -89.646 flat angles P-C4'-P energy: -68.483 tors. eta vs tors. theta energy: -101.683 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: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1252.538877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.538877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.538877 (E_RNA) where: Base-Base interactions energy: -852.487 where: short stacking energy: -351.578 Base-Backbone interact. energy: -1.396 local terms energy: -398.656499 where: bonds (distance) C4'-P energy: -72.375 bonds (distance) P-C4' energy: -78.520 flat angles C4'-P-C4' energy: -88.929 flat angles P-C4'-P energy: -64.772 tors. eta vs tors. theta energy: -94.059 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: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1254.202218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.202218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.202218 (E_RNA) where: Base-Base interactions energy: -889.516 where: short stacking energy: -373.041 Base-Backbone interact. energy: -1.760 local terms energy: -362.927072 where: bonds (distance) C4'-P energy: -78.435 bonds (distance) P-C4' energy: -55.491 flat angles C4'-P-C4' energy: -80.052 flat angles P-C4'-P energy: -53.028 tors. eta vs tors. theta energy: -95.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1124.404728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.404728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.404728 (E_RNA) where: Base-Base interactions energy: -783.224 where: short stacking energy: -326.384 Base-Backbone interact. energy: -0.104 local terms energy: -341.076348 where: bonds (distance) C4'-P energy: -65.278 bonds (distance) P-C4' energy: -68.745 flat angles C4'-P-C4' energy: -80.990 flat angles P-C4'-P energy: -43.203 tors. eta vs tors. theta energy: -82.859 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: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -926.403760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.403760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.403760 (E_RNA) where: Base-Base interactions energy: -628.525 where: short stacking energy: -259.222 Base-Backbone interact. energy: -0.882 local terms energy: -296.997431 where: bonds (distance) C4'-P energy: -76.372 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -65.940 flat angles P-C4'-P energy: -48.878 tors. eta vs tors. theta energy: -38.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -727.650634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.650634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.650634 (E_RNA) where: Base-Base interactions energy: -442.434 where: short stacking energy: -204.332 Base-Backbone interact. energy: -0.584 local terms energy: -284.631905 where: bonds (distance) C4'-P energy: -56.647 bonds (distance) P-C4' energy: -84.139 flat angles C4'-P-C4' energy: -62.660 flat angles P-C4'-P energy: -45.197 tors. eta vs tors. theta energy: -35.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -619.469721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.469721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.469721 (E_RNA) where: Base-Base interactions energy: -364.369 where: short stacking energy: -174.250 Base-Backbone interact. energy: -0.450 local terms energy: -254.650647 where: bonds (distance) C4'-P energy: -71.147 bonds (distance) P-C4' energy: -76.012 flat angles C4'-P-C4' energy: -49.879 flat angles P-C4'-P energy: -33.219 tors. eta vs tors. theta energy: -24.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1558.137838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.137838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.137838 (E_RNA) where: Base-Base interactions energy: -1121.916 where: short stacking energy: -431.388 Base-Backbone interact. energy: -2.263 local terms energy: -433.958241 where: bonds (distance) C4'-P energy: -79.950 bonds (distance) P-C4' energy: -89.294 flat angles C4'-P-C4' energy: -95.849 flat angles P-C4'-P energy: -47.479 tors. eta vs tors. theta energy: -121.386 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: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1485.383939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.383939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.383939 (E_RNA) where: Base-Base interactions energy: -1059.122 where: short stacking energy: -431.429 Base-Backbone interact. energy: -0.869 local terms energy: -425.392925 where: bonds (distance) C4'-P energy: -85.822 bonds (distance) P-C4' energy: -75.616 flat angles C4'-P-C4' energy: -89.006 flat angles P-C4'-P energy: -56.967 tors. eta vs tors. theta energy: -117.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1410.685833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.685833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.685833 (E_RNA) where: Base-Base interactions energy: -962.958 where: short stacking energy: -404.098 Base-Backbone interact. energy: -0.918 local terms energy: -446.809800 where: bonds (distance) C4'-P energy: -92.883 bonds (distance) P-C4' energy: -81.892 flat angles C4'-P-C4' energy: -95.436 flat angles P-C4'-P energy: -57.951 tors. eta vs tors. theta energy: -118.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1331.698296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.698296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.698296 (E_RNA) where: Base-Base interactions energy: -896.358 where: short stacking energy: -393.477 Base-Backbone interact. energy: -2.371 local terms energy: -432.968452 where: bonds (distance) C4'-P energy: -78.471 bonds (distance) P-C4' energy: -82.293 flat angles C4'-P-C4' energy: -92.944 flat angles P-C4'-P energy: -70.485 tors. eta vs tors. theta energy: -108.775 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: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1270.880644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.880644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.880644 (E_RNA) where: Base-Base interactions energy: -875.199 where: short stacking energy: -368.578 Base-Backbone interact. energy: -3.567 local terms energy: -392.114552 where: bonds (distance) C4'-P energy: -81.450 bonds (distance) P-C4' energy: -77.208 flat angles C4'-P-C4' energy: -81.406 flat angles P-C4'-P energy: -51.762 tors. eta vs tors. theta energy: -100.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1199.068918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.068918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.068918 (E_RNA) where: Base-Base interactions energy: -829.445 where: short stacking energy: -347.190 Base-Backbone interact. energy: -1.084 local terms energy: -368.539448 where: bonds (distance) C4'-P energy: -53.402 bonds (distance) P-C4' energy: -78.229 flat angles C4'-P-C4' energy: -93.740 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -95.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1107.511615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.511615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.511615 (E_RNA) where: Base-Base interactions energy: -737.142 where: short stacking energy: -333.257 Base-Backbone interact. energy: -2.000 local terms energy: -368.370209 where: bonds (distance) C4'-P energy: -74.776 bonds (distance) P-C4' energy: -84.109 flat angles C4'-P-C4' energy: -83.177 flat angles P-C4'-P energy: -50.847 tors. eta vs tors. theta energy: -75.461 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: 433 Temperature: 1.250000 Total energy: -913.689722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.689722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.689722 (E_RNA) where: Base-Base interactions energy: -617.499 where: short stacking energy: -257.331 Base-Backbone interact. energy: -0.990 local terms energy: -295.200764 where: bonds (distance) C4'-P energy: -73.598 bonds (distance) P-C4' energy: -63.589 flat angles C4'-P-C4' energy: -69.859 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: -46.866 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: 433 Temperature: 1.300000 Total energy: -712.721535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.721535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.721535 (E_RNA) where: Base-Base interactions energy: -436.004 where: short stacking energy: -229.252 Base-Backbone interact. energy: -0.615 local terms energy: -277.056108 where: bonds (distance) C4'-P energy: -57.073 bonds (distance) P-C4' energy: -77.028 flat angles C4'-P-C4' energy: -63.591 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -42.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.954 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -624.681358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.681358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.681358 (E_RNA) where: Base-Base interactions energy: -357.489 where: short stacking energy: -172.177 Base-Backbone interact. energy: 0.425 local terms energy: -267.617983 where: bonds (distance) C4'-P energy: -74.761 bonds (distance) P-C4' energy: -82.515 flat angles C4'-P-C4' energy: -71.209 flat angles P-C4'-P energy: -35.218 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1567.386283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.386283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.386283 (E_RNA) where: Base-Base interactions energy: -1109.835 where: short stacking energy: -442.215 Base-Backbone interact. energy: 0.019 local terms energy: -457.570124 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -91.304 flat angles C4'-P-C4' energy: -92.663 flat angles P-C4'-P energy: -59.185 tors. eta vs tors. theta energy: -122.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1468.212840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.212840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.212840 (E_RNA) where: Base-Base interactions energy: -1045.241 where: short stacking energy: -423.505 Base-Backbone interact. energy: -3.190 local terms energy: -419.781727 where: bonds (distance) C4'-P energy: -73.786 bonds (distance) P-C4' energy: -76.014 flat angles C4'-P-C4' energy: -81.706 flat angles P-C4'-P energy: -72.305 tors. eta vs tors. theta energy: -115.971 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: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1423.626343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.626343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.626343 (E_RNA) where: Base-Base interactions energy: -997.520 where: short stacking energy: -429.141 Base-Backbone interact. energy: 1.305 local terms energy: -427.411036 where: bonds (distance) C4'-P energy: -60.548 bonds (distance) P-C4' energy: -87.632 flat angles C4'-P-C4' energy: -94.850 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -122.369 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: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1327.435106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.435106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.435106 (E_RNA) where: Base-Base interactions energy: -907.427 where: short stacking energy: -400.065 Base-Backbone interact. energy: -0.734 local terms energy: -419.273809 where: bonds (distance) C4'-P energy: -77.519 bonds (distance) P-C4' energy: -76.825 flat angles C4'-P-C4' energy: -88.991 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -100.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1275.277714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.277714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.277714 (E_RNA) where: Base-Base interactions energy: -881.252 where: short stacking energy: -392.514 Base-Backbone interact. energy: 1.468 local terms energy: -395.493425 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -73.664 flat angles C4'-P-C4' energy: -86.262 flat angles P-C4'-P energy: -68.410 tors. eta vs tors. theta energy: -100.039 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: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1237.472596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.472596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.472596 (E_RNA) where: Base-Base interactions energy: -880.038 where: short stacking energy: -378.053 Base-Backbone interact. energy: -3.568 local terms energy: -353.867051 where: bonds (distance) C4'-P energy: -57.122 bonds (distance) P-C4' energy: -67.451 flat angles C4'-P-C4' energy: -86.749 flat angles P-C4'-P energy: -51.989 tors. eta vs tors. theta energy: -90.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1137.418014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.418014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.418014 (E_RNA) where: Base-Base interactions energy: -762.332 where: short stacking energy: -333.124 Base-Backbone interact. energy: -0.641 local terms energy: -374.445863 where: bonds (distance) C4'-P energy: -64.246 bonds (distance) P-C4' energy: -71.778 flat angles C4'-P-C4' energy: -98.422 flat angles P-C4'-P energy: -50.287 tors. eta vs tors. theta energy: -89.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -904.945710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.945710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.945710 (E_RNA) where: Base-Base interactions energy: -595.257 where: short stacking energy: -259.166 Base-Backbone interact. energy: 4.401 local terms energy: -314.089096 where: bonds (distance) C4'-P energy: -75.163 bonds (distance) P-C4' energy: -65.641 flat angles C4'-P-C4' energy: -77.701 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -50.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -623.264085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.264085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.264085 (E_RNA) where: Base-Base interactions energy: -384.046 where: short stacking energy: -186.254 Base-Backbone interact. energy: -1.572 local terms energy: -237.646160 where: bonds (distance) C4'-P energy: -62.222 bonds (distance) P-C4' energy: -63.291 flat angles C4'-P-C4' energy: -56.258 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -589.215086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.215086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.215086 (E_RNA) where: Base-Base interactions energy: -343.827 where: short stacking energy: -177.471 Base-Backbone interact. energy: -2.484 local terms energy: -242.903854 where: bonds (distance) C4'-P energy: -50.170 bonds (distance) P-C4' energy: -68.739 flat angles C4'-P-C4' energy: -66.015 flat angles P-C4'-P energy: -41.768 tors. eta vs tors. theta energy: -16.211 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: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1549.973042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.973042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.973042 (E_RNA) where: Base-Base interactions energy: -1098.815 where: short stacking energy: -437.706 Base-Backbone interact. energy: -1.908 local terms energy: -449.249897 where: bonds (distance) C4'-P energy: -82.065 bonds (distance) P-C4' energy: -94.391 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -57.291 tors. eta vs tors. theta energy: -124.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1477.263515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.263515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.263515 (E_RNA) where: Base-Base interactions energy: -1055.186 where: short stacking energy: -446.424 Base-Backbone interact. energy: -2.797 local terms energy: -419.280386 where: bonds (distance) C4'-P energy: -78.674 bonds (distance) P-C4' energy: -80.124 flat angles C4'-P-C4' energy: -85.695 flat angles P-C4'-P energy: -63.535 tors. eta vs tors. theta energy: -111.252 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: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1421.655589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.655589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.655589 (E_RNA) where: Base-Base interactions energy: -983.401 where: short stacking energy: -419.329 Base-Backbone interact. energy: -1.960 local terms energy: -436.294330 where: bonds (distance) C4'-P energy: -92.794 bonds (distance) P-C4' energy: -85.591 flat angles C4'-P-C4' energy: -90.448 flat angles P-C4'-P energy: -54.672 tors. eta vs tors. theta energy: -112.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1347.060160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.060160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.060160 (E_RNA) where: Base-Base interactions energy: -902.866 where: short stacking energy: -428.505 Base-Backbone interact. energy: -1.381 local terms energy: -442.813228 where: bonds (distance) C4'-P energy: -82.622 bonds (distance) P-C4' energy: -95.018 flat angles C4'-P-C4' energy: -88.574 flat angles P-C4'-P energy: -61.821 tors. eta vs tors. theta energy: -114.778 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: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1264.567307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.567307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.567307 (E_RNA) where: Base-Base interactions energy: -877.472 where: short stacking energy: -378.285 Base-Backbone interact. energy: -0.401 local terms energy: -386.694233 where: bonds (distance) C4'-P energy: -77.914 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -74.912 flat angles P-C4'-P energy: -53.008 tors. eta vs tors. theta energy: -107.518 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: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1208.526476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.526476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.526476 (E_RNA) where: Base-Base interactions energy: -830.648 where: short stacking energy: -379.467 Base-Backbone interact. energy: -0.793 local terms energy: -377.085253 where: bonds (distance) C4'-P energy: -73.260 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -89.140 flat angles P-C4'-P energy: -51.964 tors. eta vs tors. theta energy: -97.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1121.560625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.560625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.560625 (E_RNA) where: Base-Base interactions energy: -739.598 where: short stacking energy: -327.985 Base-Backbone interact. energy: -1.708 local terms energy: -380.254380 where: bonds (distance) C4'-P energy: -80.049 bonds (distance) P-C4' energy: -78.061 flat angles C4'-P-C4' energy: -92.682 flat angles P-C4'-P energy: -53.381 tors. eta vs tors. theta energy: -76.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -909.206292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.206292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.206292 (E_RNA) where: Base-Base interactions energy: -601.143 where: short stacking energy: -274.646 Base-Backbone interact. energy: 3.059 local terms energy: -311.121919 where: bonds (distance) C4'-P energy: -73.083 bonds (distance) P-C4' energy: -67.362 flat angles C4'-P-C4' energy: -74.847 flat angles P-C4'-P energy: -39.956 tors. eta vs tors. theta energy: -55.874 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: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -690.532194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.532194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.532194 (E_RNA) where: Base-Base interactions energy: -411.606 where: short stacking energy: -198.181 Base-Backbone interact. energy: 4.028 local terms energy: -282.954378 where: bonds (distance) C4'-P energy: -78.111 bonds (distance) P-C4' energy: -71.314 flat angles C4'-P-C4' energy: -58.025 flat angles P-C4'-P energy: -37.500 tors. eta vs tors. theta energy: -38.004 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: 435 Temperature: 1.350000 Total energy: -614.817096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.817096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.817096 (E_RNA) where: Base-Base interactions energy: -351.687 where: short stacking energy: -177.759 Base-Backbone interact. energy: -0.827 local terms energy: -262.303347 where: bonds (distance) C4'-P energy: -73.946 bonds (distance) P-C4' energy: -75.745 flat angles C4'-P-C4' energy: -61.990 flat angles P-C4'-P energy: -29.563 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: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1563.894647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.894647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.894647 (E_RNA) where: Base-Base interactions energy: -1098.579 where: short stacking energy: -447.881 Base-Backbone interact. energy: -0.996 local terms energy: -464.320202 where: bonds (distance) C4'-P energy: -90.630 bonds (distance) P-C4' energy: -86.924 flat angles C4'-P-C4' energy: -106.183 flat angles P-C4'-P energy: -54.132 tors. eta vs tors. theta energy: -126.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1469.774600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.774600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.774600 (E_RNA) where: Base-Base interactions energy: -1040.316 where: short stacking energy: -418.281 Base-Backbone interact. energy: -1.582 local terms energy: -427.876984 where: bonds (distance) C4'-P energy: -68.368 bonds (distance) P-C4' energy: -86.799 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -65.728 tors. eta vs tors. theta energy: -113.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1432.768919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.768919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.768919 (E_RNA) where: Base-Base interactions energy: -992.145 where: short stacking energy: -424.225 Base-Backbone interact. energy: -1.944 local terms energy: -438.680555 where: bonds (distance) C4'-P energy: -71.696 bonds (distance) P-C4' energy: -87.324 flat angles C4'-P-C4' energy: -93.348 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -120.423 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: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1367.765522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.765522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.765522 (E_RNA) where: Base-Base interactions energy: -955.078 where: short stacking energy: -415.904 Base-Backbone interact. energy: 0.703 local terms energy: -413.391244 where: bonds (distance) C4'-P energy: -74.911 bonds (distance) P-C4' energy: -76.637 flat angles C4'-P-C4' energy: -88.141 flat angles P-C4'-P energy: -63.953 tors. eta vs tors. theta energy: -109.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1228.194014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.194014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.194014 (E_RNA) where: Base-Base interactions energy: -853.523 where: short stacking energy: -346.173 Base-Backbone interact. energy: 1.647 local terms energy: -376.317422 where: bonds (distance) C4'-P energy: -79.849 bonds (distance) P-C4' energy: -69.117 flat angles C4'-P-C4' energy: -87.374 flat angles P-C4'-P energy: -56.478 tors. eta vs tors. theta energy: -83.500 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: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1194.305965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.305965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.305965 (E_RNA) where: Base-Base interactions energy: -817.793 where: short stacking energy: -346.280 Base-Backbone interact. energy: -1.648 local terms energy: -374.865290 where: bonds (distance) C4'-P energy: -78.325 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -85.439 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -89.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1143.503717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.503717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.503717 (E_RNA) where: Base-Base interactions energy: -788.661 where: short stacking energy: -360.909 Base-Backbone interact. energy: -0.728 local terms energy: -354.115044 where: bonds (distance) C4'-P energy: -61.065 bonds (distance) P-C4' energy: -80.171 flat angles C4'-P-C4' energy: -75.815 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: -89.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -948.070066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.070066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.070066 (E_RNA) where: Base-Base interactions energy: -633.592 where: short stacking energy: -274.303 Base-Backbone interact. energy: 2.278 local terms energy: -316.822773 where: bonds (distance) C4'-P energy: -64.497 bonds (distance) P-C4' energy: -69.974 flat angles C4'-P-C4' energy: -78.902 flat angles P-C4'-P energy: -48.987 tors. eta vs tors. theta energy: -54.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -700.171299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.171299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.171299 (E_RNA) where: Base-Base interactions energy: -428.381 where: short stacking energy: -202.902 Base-Backbone interact. energy: -0.164 local terms energy: -271.625806 where: bonds (distance) C4'-P energy: -65.073 bonds (distance) P-C4' energy: -64.334 flat angles C4'-P-C4' energy: -63.463 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -32.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -593.905017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.905017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.905017 (E_RNA) where: Base-Base interactions energy: -347.445 where: short stacking energy: -181.691 Base-Backbone interact. energy: 1.252 local terms energy: -247.711385 where: bonds (distance) C4'-P energy: -61.586 bonds (distance) P-C4' energy: -75.080 flat angles C4'-P-C4' energy: -60.962 flat angles P-C4'-P energy: -35.193 tors. eta vs tors. theta energy: -14.890 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: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1537.695027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.695027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.695027 (E_RNA) where: Base-Base interactions energy: -1092.497 where: short stacking energy: -428.971 Base-Backbone interact. energy: -1.441 local terms energy: -443.757308 where: bonds (distance) C4'-P energy: -87.769 bonds (distance) P-C4' energy: -86.785 flat angles C4'-P-C4' energy: -96.843 flat angles P-C4'-P energy: -60.209 tors. eta vs tors. theta energy: -112.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1444.028297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.028297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.028297 (E_RNA) where: Base-Base interactions energy: -999.570 where: short stacking energy: -439.188 Base-Backbone interact. energy: -0.160 local terms energy: -444.298287 where: bonds (distance) C4'-P energy: -74.544 bonds (distance) P-C4' energy: -85.695 flat angles C4'-P-C4' energy: -93.941 flat angles P-C4'-P energy: -69.027 tors. eta vs tors. theta energy: -121.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1420.163076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.163076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.163076 (E_RNA) where: Base-Base interactions energy: -993.636 where: short stacking energy: -415.650 Base-Backbone interact. energy: -3.245 local terms energy: -423.282464 where: bonds (distance) C4'-P energy: -86.052 bonds (distance) P-C4' energy: -80.783 flat angles C4'-P-C4' energy: -88.135 flat angles P-C4'-P energy: -55.483 tors. eta vs tors. theta energy: -112.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1334.038499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.038499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.038499 (E_RNA) where: Base-Base interactions energy: -904.234 where: short stacking energy: -389.510 Base-Backbone interact. energy: -2.452 local terms energy: -427.353260 where: bonds (distance) C4'-P energy: -76.257 bonds (distance) P-C4' energy: -86.039 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -60.998 tors. eta vs tors. theta energy: -108.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1241.976284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.976284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.976284 (E_RNA) where: Base-Base interactions energy: -854.125 where: short stacking energy: -345.049 Base-Backbone interact. energy: -2.074 local terms energy: -385.777724 where: bonds (distance) C4'-P energy: -67.692 bonds (distance) P-C4' energy: -82.497 flat angles C4'-P-C4' energy: -88.988 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -93.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1197.349203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.349203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.349203 (E_RNA) where: Base-Base interactions energy: -844.689 where: short stacking energy: -354.029 Base-Backbone interact. energy: 0.510 local terms energy: -353.169510 where: bonds (distance) C4'-P energy: -61.166 bonds (distance) P-C4' energy: -73.661 flat angles C4'-P-C4' energy: -81.809 flat angles P-C4'-P energy: -54.640 tors. eta vs tors. theta energy: -81.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1097.370067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.370067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.370067 (E_RNA) where: Base-Base interactions energy: -728.158 where: short stacking energy: -335.711 Base-Backbone interact. energy: -1.716 local terms energy: -367.495837 where: bonds (distance) C4'-P energy: -72.645 bonds (distance) P-C4' energy: -78.721 flat angles C4'-P-C4' energy: -78.268 flat angles P-C4'-P energy: -54.893 tors. eta vs tors. theta energy: -82.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -949.206076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.206076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.206076 (E_RNA) where: Base-Base interactions energy: -635.448 where: short stacking energy: -270.921 Base-Backbone interact. energy: -1.714 local terms energy: -312.044957 where: bonds (distance) C4'-P energy: -69.789 bonds (distance) P-C4' energy: -81.589 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -52.181 tors. eta vs tors. theta energy: -46.944 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: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -689.881079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.881079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.881079 (E_RNA) where: Base-Base interactions energy: -431.856 where: short stacking energy: -217.608 Base-Backbone interact. energy: 0.644 local terms energy: -258.668992 where: bonds (distance) C4'-P energy: -52.184 bonds (distance) P-C4' energy: -65.082 flat angles C4'-P-C4' energy: -60.280 flat angles P-C4'-P energy: -50.867 tors. eta vs tors. theta energy: -30.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -586.311788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.311788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.311788 (E_RNA) where: Base-Base interactions energy: -354.690 where: short stacking energy: -170.084 Base-Backbone interact. energy: 3.424 local terms energy: -235.045986 where: bonds (distance) C4'-P energy: -74.065 bonds (distance) P-C4' energy: -66.026 flat angles C4'-P-C4' energy: -64.953 flat angles P-C4'-P energy: -25.357 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1540.592958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.592958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.592958 (E_RNA) where: Base-Base interactions energy: -1095.338 where: short stacking energy: -433.884 Base-Backbone interact. energy: -0.717 local terms energy: -444.537498 where: bonds (distance) C4'-P energy: -83.306 bonds (distance) P-C4' energy: -82.275 flat angles C4'-P-C4' energy: -99.079 flat angles P-C4'-P energy: -57.092 tors. eta vs tors. theta energy: -122.786 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: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1437.043890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.043890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.043890 (E_RNA) where: Base-Base interactions energy: -990.391 where: short stacking energy: -434.636 Base-Backbone interact. energy: 0.047 local terms energy: -446.699925 where: bonds (distance) C4'-P energy: -76.362 bonds (distance) P-C4' energy: -88.868 flat angles C4'-P-C4' energy: -93.727 flat angles P-C4'-P energy: -67.447 tors. eta vs tors. theta energy: -120.296 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: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1434.552176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.552176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.552176 (E_RNA) where: Base-Base interactions energy: -1033.253 where: short stacking energy: -410.047 Base-Backbone interact. energy: -3.661 local terms energy: -397.638339 where: bonds (distance) C4'-P energy: -57.299 bonds (distance) P-C4' energy: -82.096 flat angles C4'-P-C4' energy: -86.417 flat angles P-C4'-P energy: -68.217 tors. eta vs tors. theta energy: -103.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1347.698212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.698212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.698212 (E_RNA) where: Base-Base interactions energy: -906.217 where: short stacking energy: -420.412 Base-Backbone interact. energy: 2.800 local terms energy: -444.281815 where: bonds (distance) C4'-P energy: -82.826 bonds (distance) P-C4' energy: -76.952 flat angles C4'-P-C4' energy: -94.564 flat angles P-C4'-P energy: -68.844 tors. eta vs tors. theta energy: -121.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1243.728406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.728406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.728406 (E_RNA) where: Base-Base interactions energy: -854.128 where: short stacking energy: -345.619 Base-Backbone interact. energy: -1.942 local terms energy: -387.658578 where: bonds (distance) C4'-P energy: -71.840 bonds (distance) P-C4' energy: -89.774 flat angles C4'-P-C4' energy: -85.438 flat angles P-C4'-P energy: -55.028 tors. eta vs tors. theta energy: -85.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1192.639434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.639434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.639434 (E_RNA) where: Base-Base interactions energy: -818.240 where: short stacking energy: -358.104 Base-Backbone interact. energy: 0.376 local terms energy: -374.775104 where: bonds (distance) C4'-P energy: -73.945 bonds (distance) P-C4' energy: -82.335 flat angles C4'-P-C4' energy: -81.065 flat angles P-C4'-P energy: -52.841 tors. eta vs tors. theta energy: -84.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1086.166377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.166377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.166377 (E_RNA) where: Base-Base interactions energy: -725.110 where: short stacking energy: -307.702 Base-Backbone interact. energy: -1.562 local terms energy: -359.495040 where: bonds (distance) C4'-P energy: -70.170 bonds (distance) P-C4' energy: -91.202 flat angles C4'-P-C4' energy: -73.984 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -77.188 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: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -943.345672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.345672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.345672 (E_RNA) where: Base-Base interactions energy: -644.248 where: short stacking energy: -278.541 Base-Backbone interact. energy: -1.916 local terms energy: -297.180900 where: bonds (distance) C4'-P energy: -61.437 bonds (distance) P-C4' energy: -73.485 flat angles C4'-P-C4' energy: -63.975 flat angles P-C4'-P energy: -39.816 tors. eta vs tors. theta energy: -58.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -736.157509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.157509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.157509 (E_RNA) where: Base-Base interactions energy: -464.146 where: short stacking energy: -221.275 Base-Backbone interact. energy: 3.606 local terms energy: -275.616904 where: bonds (distance) C4'-P energy: -57.377 bonds (distance) P-C4' energy: -70.758 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: -44.449 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: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -590.550030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.550030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.550030 (E_RNA) where: Base-Base interactions energy: -333.485 where: short stacking energy: -166.606 Base-Backbone interact. energy: -0.071 local terms energy: -256.994318 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -59.562 flat angles C4'-P-C4' energy: -70.921 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: -16.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1531.659306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.659306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.659306 (E_RNA) where: Base-Base interactions energy: -1086.353 where: short stacking energy: -436.441 Base-Backbone interact. energy: -0.557 local terms energy: -444.749545 where: bonds (distance) C4'-P energy: -89.166 bonds (distance) P-C4' energy: -76.254 flat angles C4'-P-C4' energy: -89.973 flat angles P-C4'-P energy: -63.342 tors. eta vs tors. theta energy: -126.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1484.049596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.049596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.049596 (E_RNA) where: Base-Base interactions energy: -1050.771 where: short stacking energy: -442.549 Base-Backbone interact. energy: -0.757 local terms energy: -432.521226 where: bonds (distance) C4'-P energy: -69.772 bonds (distance) P-C4' energy: -93.723 flat angles C4'-P-C4' energy: -93.094 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -111.664 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: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1398.782450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.782450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.782450 (E_RNA) where: Base-Base interactions energy: -972.446 where: short stacking energy: -411.948 Base-Backbone interact. energy: 0.554 local terms energy: -426.890428 where: bonds (distance) C4'-P energy: -79.597 bonds (distance) P-C4' energy: -87.460 flat angles C4'-P-C4' energy: -95.572 flat angles P-C4'-P energy: -53.909 tors. eta vs tors. theta energy: -110.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1353.603375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.603375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.603375 (E_RNA) where: Base-Base interactions energy: -915.850 where: short stacking energy: -413.061 Base-Backbone interact. energy: -2.715 local terms energy: -435.039017 where: bonds (distance) C4'-P energy: -81.184 bonds (distance) P-C4' energy: -82.048 flat angles C4'-P-C4' energy: -88.233 flat angles P-C4'-P energy: -68.766 tors. eta vs tors. theta energy: -114.809 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: 439 Temperature: 1.100000 Total energy: -1260.240721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.240721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.240721 (E_RNA) where: Base-Base interactions energy: -894.560 where: short stacking energy: -368.789 Base-Backbone interact. energy: -1.246 local terms energy: -364.434690 where: bonds (distance) C4'-P energy: -66.085 bonds (distance) P-C4' energy: -70.701 flat angles C4'-P-C4' energy: -84.280 flat angles P-C4'-P energy: -56.066 tors. eta vs tors. theta energy: -87.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1221.231163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.231163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.231163 (E_RNA) where: Base-Base interactions energy: -835.355 where: short stacking energy: -347.164 Base-Backbone interact. energy: 2.775 local terms energy: -388.651247 where: bonds (distance) C4'-P energy: -76.019 bonds (distance) P-C4' energy: -87.027 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -52.306 tors. eta vs tors. theta energy: -82.200 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: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1087.410359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.410359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.410359 (E_RNA) where: Base-Base interactions energy: -744.966 where: short stacking energy: -315.425 Base-Backbone interact. energy: -2.720 local terms energy: -339.724139 where: bonds (distance) C4'-P energy: -62.812 bonds (distance) P-C4' energy: -63.630 flat angles C4'-P-C4' energy: -80.232 flat angles P-C4'-P energy: -56.437 tors. eta vs tors. theta energy: -76.613 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: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -930.458556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.458556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.458556 (E_RNA) where: Base-Base interactions energy: -622.348 where: short stacking energy: -258.600 Base-Backbone interact. energy: -3.911 local terms energy: -304.422644 where: bonds (distance) C4'-P energy: -63.373 bonds (distance) P-C4' energy: -73.557 flat angles C4'-P-C4' energy: -80.823 flat angles P-C4'-P energy: -43.624 tors. eta vs tors. theta energy: -43.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.223 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -804.724148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.724148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.724148 (E_RNA) where: Base-Base interactions energy: -502.326 where: short stacking energy: -232.054 Base-Backbone interact. energy: -2.299 local terms energy: -300.098904 where: bonds (distance) C4'-P energy: -60.622 bonds (distance) P-C4' energy: -60.710 flat angles C4'-P-C4' energy: -79.007 flat angles P-C4'-P energy: -47.553 tors. eta vs tors. theta energy: -52.206 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: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -619.222563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.222563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.222563 (E_RNA) where: Base-Base interactions energy: -352.942 where: short stacking energy: -167.952 Base-Backbone interact. energy: -1.867 local terms energy: -264.413718 where: bonds (distance) C4'-P energy: -67.192 bonds (distance) P-C4' energy: -77.831 flat angles C4'-P-C4' energy: -74.857 flat angles P-C4'-P energy: -28.391 tors. eta vs tors. theta energy: -16.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1542.071572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.071572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.071572 (E_RNA) where: Base-Base interactions energy: -1086.887 where: short stacking energy: -453.622 Base-Backbone interact. energy: 0.301 local terms energy: -455.485301 where: bonds (distance) C4'-P energy: -81.566 bonds (distance) P-C4' energy: -89.453 flat angles C4'-P-C4' energy: -99.734 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -126.859 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: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1475.440050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.440050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.440050 (E_RNA) where: Base-Base interactions energy: -1054.174 where: short stacking energy: -438.665 Base-Backbone interact. energy: -1.987 local terms energy: -419.278848 where: bonds (distance) C4'-P energy: -83.253 bonds (distance) P-C4' energy: -76.642 flat angles C4'-P-C4' energy: -90.239 flat angles P-C4'-P energy: -53.749 tors. eta vs tors. theta energy: -115.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1421.199784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.199784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.199784 (E_RNA) where: Base-Base interactions energy: -982.983 where: short stacking energy: -422.130 Base-Backbone interact. energy: -0.992 local terms energy: -437.224559 where: bonds (distance) C4'-P energy: -75.212 bonds (distance) P-C4' energy: -89.394 flat angles C4'-P-C4' energy: -92.767 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: -120.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1313.135550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.135550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.135550 (E_RNA) where: Base-Base interactions energy: -898.676 where: short stacking energy: -396.854 Base-Backbone interact. energy: -0.054 local terms energy: -414.405874 where: bonds (distance) C4'-P energy: -81.384 bonds (distance) P-C4' energy: -74.976 flat angles C4'-P-C4' energy: -89.541 flat angles P-C4'-P energy: -57.218 tors. eta vs tors. theta energy: -111.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1273.683116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.683116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.683116 (E_RNA) where: Base-Base interactions energy: -879.491 where: short stacking energy: -393.999 Base-Backbone interact. energy: 2.189 local terms energy: -396.381481 where: bonds (distance) C4'-P energy: -73.205 bonds (distance) P-C4' energy: -78.099 flat angles C4'-P-C4' energy: -78.928 flat angles P-C4'-P energy: -65.028 tors. eta vs tors. theta energy: -101.120 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: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1214.485811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.485811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.485811 (E_RNA) where: Base-Base interactions energy: -829.275 where: short stacking energy: -337.440 Base-Backbone interact. energy: -0.808 local terms energy: -384.402690 where: bonds (distance) C4'-P energy: -69.731 bonds (distance) P-C4' energy: -77.441 flat angles C4'-P-C4' energy: -75.251 flat angles P-C4'-P energy: -64.397 tors. eta vs tors. theta energy: -97.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1129.497607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.497607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.497607 (E_RNA) where: Base-Base interactions energy: -740.218 where: short stacking energy: -323.091 Base-Backbone interact. energy: -1.810 local terms energy: -387.469897 where: bonds (distance) C4'-P energy: -74.141 bonds (distance) P-C4' energy: -73.351 flat angles C4'-P-C4' energy: -87.878 flat angles P-C4'-P energy: -55.413 tors. eta vs tors. theta energy: -96.686 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: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -918.662729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.662729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.662729 (E_RNA) where: Base-Base interactions energy: -601.380 where: short stacking energy: -258.894 Base-Backbone interact. energy: 0.102 local terms energy: -317.384437 where: bonds (distance) C4'-P energy: -66.257 bonds (distance) P-C4' energy: -83.439 flat angles C4'-P-C4' energy: -63.022 flat angles P-C4'-P energy: -44.970 tors. eta vs tors. theta energy: -59.696 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: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -881.268619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.268619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.268619 (E_RNA) where: Base-Base interactions energy: -553.869 where: short stacking energy: -267.747 Base-Backbone interact. energy: -0.413 local terms energy: -326.986371 where: bonds (distance) C4'-P energy: -70.112 bonds (distance) P-C4' energy: -67.169 flat angles C4'-P-C4' energy: -71.735 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -62.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -591.993935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.993935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.993935 (E_RNA) where: Base-Base interactions energy: -331.734 where: short stacking energy: -164.018 Base-Backbone interact. energy: -2.973 local terms energy: -257.286418 where: bonds (distance) C4'-P energy: -61.002 bonds (distance) P-C4' energy: -63.754 flat angles C4'-P-C4' energy: -69.451 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -16.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1548.750143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.750143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.750143 (E_RNA) where: Base-Base interactions energy: -1090.301 where: short stacking energy: -441.826 Base-Backbone interact. energy: 0.200 local terms energy: -458.648600 where: bonds (distance) C4'-P energy: -84.788 bonds (distance) P-C4' energy: -77.290 flat angles C4'-P-C4' energy: -101.544 flat angles P-C4'-P energy: -69.196 tors. eta vs tors. theta energy: -125.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1525.726773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.726773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.726773 (E_RNA) where: Base-Base interactions energy: -1082.329 where: short stacking energy: -438.847 Base-Backbone interact. energy: -0.632 local terms energy: -442.766329 where: bonds (distance) C4'-P energy: -80.808 bonds (distance) P-C4' energy: -88.007 flat angles C4'-P-C4' energy: -88.822 flat angles P-C4'-P energy: -65.521 tors. eta vs tors. theta energy: -119.607 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: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1420.593390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.593390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.593390 (E_RNA) where: Base-Base interactions energy: -970.142 where: short stacking energy: -417.715 Base-Backbone interact. energy: -2.156 local terms energy: -448.295658 where: bonds (distance) C4'-P energy: -84.600 bonds (distance) P-C4' energy: -89.072 flat angles C4'-P-C4' energy: -95.668 flat angles P-C4'-P energy: -63.779 tors. eta vs tors. theta energy: -115.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1288.240867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.240867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.240867 (E_RNA) where: Base-Base interactions energy: -890.954 where: short stacking energy: -382.172 Base-Backbone interact. energy: -1.305 local terms energy: -395.981683 where: bonds (distance) C4'-P energy: -72.625 bonds (distance) P-C4' energy: -76.882 flat angles C4'-P-C4' energy: -85.259 flat angles P-C4'-P energy: -60.124 tors. eta vs tors. theta energy: -101.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1302.748778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.748778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.748778 (E_RNA) where: Base-Base interactions energy: -887.717 where: short stacking energy: -389.206 Base-Backbone interact. energy: -1.675 local terms energy: -413.356792 where: bonds (distance) C4'-P energy: -87.361 bonds (distance) P-C4' energy: -76.093 flat angles C4'-P-C4' energy: -77.361 flat angles P-C4'-P energy: -59.596 tors. eta vs tors. theta energy: -112.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1249.134500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.134500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.134500 (E_RNA) where: Base-Base interactions energy: -868.829 where: short stacking energy: -371.094 Base-Backbone interact. energy: -1.955 local terms energy: -378.350428 where: bonds (distance) C4'-P energy: -61.351 bonds (distance) P-C4' energy: -79.116 flat angles C4'-P-C4' energy: -80.847 flat angles P-C4'-P energy: -54.611 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: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1117.437619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.437619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.437619 (E_RNA) where: Base-Base interactions energy: -774.594 where: short stacking energy: -343.876 Base-Backbone interact. energy: -0.589 local terms energy: -342.254369 where: bonds (distance) C4'-P energy: -69.267 bonds (distance) P-C4' energy: -68.420 flat angles C4'-P-C4' energy: -73.234 flat angles P-C4'-P energy: -50.701 tors. eta vs tors. theta energy: -80.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -873.384980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.384980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.384980 (E_RNA) where: Base-Base interactions energy: -546.866 where: short stacking energy: -259.377 Base-Backbone interact. energy: -1.106 local terms energy: -325.412855 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -81.505 flat angles C4'-P-C4' energy: -66.409 flat angles P-C4'-P energy: -57.035 tors. eta vs tors. theta energy: -49.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -827.131655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.131655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.131655 (E_RNA) where: Base-Base interactions energy: -548.926 where: short stacking energy: -237.548 Base-Backbone interact. energy: 2.323 local terms energy: -280.528382 where: bonds (distance) C4'-P energy: -73.902 bonds (distance) P-C4' energy: -64.385 flat angles C4'-P-C4' energy: -48.027 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -49.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -613.975115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.975115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.975115 (E_RNA) where: Base-Base interactions energy: -359.431 where: short stacking energy: -178.098 Base-Backbone interact. energy: -1.178 local terms energy: -253.366299 where: bonds (distance) C4'-P energy: -61.579 bonds (distance) P-C4' energy: -60.676 flat angles C4'-P-C4' energy: -59.297 flat angles P-C4'-P energy: -38.372 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: 442 Temperature: 0.900000 Total energy: -1543.557904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.557904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.557904 (E_RNA) where: Base-Base interactions energy: -1100.344 where: short stacking energy: -431.446 Base-Backbone interact. energy: -0.454 local terms energy: -442.760147 where: bonds (distance) C4'-P energy: -88.242 bonds (distance) P-C4' energy: -80.699 flat angles C4'-P-C4' energy: -88.517 flat angles P-C4'-P energy: -61.167 tors. eta vs tors. theta energy: -124.136 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: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1532.541493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.541493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.541493 (E_RNA) where: Base-Base interactions energy: -1104.816 where: short stacking energy: -438.056 Base-Backbone interact. energy: -0.468 local terms energy: -427.257449 where: bonds (distance) C4'-P energy: -75.830 bonds (distance) P-C4' energy: -87.160 flat angles C4'-P-C4' energy: -91.442 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -117.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1418.941814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.941814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.941814 (E_RNA) where: Base-Base interactions energy: -972.742 where: short stacking energy: -423.663 Base-Backbone interact. energy: -2.003 local terms energy: -444.197226 where: bonds (distance) C4'-P energy: -80.537 bonds (distance) P-C4' energy: -85.291 flat angles C4'-P-C4' energy: -95.617 flat angles P-C4'-P energy: -59.161 tors. eta vs tors. theta energy: -123.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1323.837764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.837764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.837764 (E_RNA) where: Base-Base interactions energy: -905.917 where: short stacking energy: -396.767 Base-Backbone interact. energy: -2.271 local terms energy: -415.650580 where: bonds (distance) C4'-P energy: -71.233 bonds (distance) P-C4' energy: -86.374 flat angles C4'-P-C4' energy: -93.631 flat angles P-C4'-P energy: -63.604 tors. eta vs tors. theta energy: -100.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1275.912670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.912670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.912670 (E_RNA) where: Base-Base interactions energy: -871.354 where: short stacking energy: -397.577 Base-Backbone interact. energy: -2.420 local terms energy: -402.137957 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -80.804 flat angles C4'-P-C4' energy: -82.345 flat angles P-C4'-P energy: -67.020 tors. eta vs tors. theta energy: -109.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1252.707138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.707138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.707138 (E_RNA) where: Base-Base interactions energy: -865.614 where: short stacking energy: -360.484 Base-Backbone interact. energy: -1.016 local terms energy: -386.077826 where: bonds (distance) C4'-P energy: -66.819 bonds (distance) P-C4' energy: -80.996 flat angles C4'-P-C4' energy: -90.900 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: -98.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1114.199178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.199178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.199178 (E_RNA) where: Base-Base interactions energy: -749.391 where: short stacking energy: -353.035 Base-Backbone interact. energy: 3.847 local terms energy: -368.655561 where: bonds (distance) C4'-P energy: -77.381 bonds (distance) P-C4' energy: -60.971 flat angles C4'-P-C4' energy: -87.032 flat angles P-C4'-P energy: -52.844 tors. eta vs tors. theta energy: -90.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -871.466507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.466507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.466507 (E_RNA) where: Base-Base interactions energy: -558.250 where: short stacking energy: -231.292 Base-Backbone interact. energy: -1.787 local terms energy: -311.428810 where: bonds (distance) C4'-P energy: -77.772 bonds (distance) P-C4' energy: -71.321 flat angles C4'-P-C4' energy: -77.634 flat angles P-C4'-P energy: -45.331 tors. eta vs tors. theta energy: -39.369 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: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -808.788859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.788859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.788859 (E_RNA) where: Base-Base interactions energy: -528.121 where: short stacking energy: -227.788 Base-Backbone interact. energy: -0.674 local terms energy: -279.993844 where: bonds (distance) C4'-P energy: -71.414 bonds (distance) P-C4' energy: -60.004 flat angles C4'-P-C4' energy: -80.178 flat angles P-C4'-P energy: -39.662 tors. eta vs tors. theta energy: -28.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -626.111081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.111081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.111081 (E_RNA) where: Base-Base interactions energy: -352.019 where: short stacking energy: -164.007 Base-Backbone interact. energy: 0.304 local terms energy: -274.395944 where: bonds (distance) C4'-P energy: -67.907 bonds (distance) P-C4' energy: -82.007 flat angles C4'-P-C4' energy: -61.320 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -21.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1554.308554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.308554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.308554 (E_RNA) where: Base-Base interactions energy: -1107.470 where: short stacking energy: -426.326 Base-Backbone interact. energy: -1.906 local terms energy: -444.932188 where: bonds (distance) C4'-P energy: -78.807 bonds (distance) P-C4' energy: -81.361 flat angles C4'-P-C4' energy: -108.027 flat angles P-C4'-P energy: -56.488 tors. eta vs tors. theta energy: -120.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1545.845668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.845668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.845668 (E_RNA) where: Base-Base interactions energy: -1093.424 where: short stacking energy: -425.526 Base-Backbone interact. energy: -3.844 local terms energy: -448.578187 where: bonds (distance) C4'-P energy: -86.728 bonds (distance) P-C4' energy: -81.736 flat angles C4'-P-C4' energy: -93.671 flat angles P-C4'-P energy: -69.515 tors. eta vs tors. theta energy: -116.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1419.952262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.952262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.952262 (E_RNA) where: Base-Base interactions energy: -977.475 where: short stacking energy: -428.376 Base-Backbone interact. energy: -2.044 local terms energy: -440.433011 where: bonds (distance) C4'-P energy: -70.750 bonds (distance) P-C4' energy: -79.217 flat angles C4'-P-C4' energy: -94.419 flat angles P-C4'-P energy: -71.856 tors. eta vs tors. theta energy: -124.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1337.159560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.159560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.159560 (E_RNA) where: Base-Base interactions energy: -913.145 where: short stacking energy: -398.974 Base-Backbone interact. energy: -0.431 local terms energy: -423.583713 where: bonds (distance) C4'-P energy: -79.514 bonds (distance) P-C4' energy: -78.531 flat angles C4'-P-C4' energy: -96.815 flat angles P-C4'-P energy: -61.083 tors. eta vs tors. theta energy: -107.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1304.585117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.585117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.585117 (E_RNA) where: Base-Base interactions energy: -894.790 where: short stacking energy: -385.626 Base-Backbone interact. energy: -1.367 local terms energy: -408.428243 where: bonds (distance) C4'-P energy: -76.142 bonds (distance) P-C4' energy: -74.072 flat angles C4'-P-C4' energy: -82.695 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: -121.706 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: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1234.298591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.298591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.298591 (E_RNA) where: Base-Base interactions energy: -844.899 where: short stacking energy: -366.504 Base-Backbone interact. energy: -1.466 local terms energy: -387.933600 where: bonds (distance) C4'-P energy: -71.636 bonds (distance) P-C4' energy: -93.634 flat angles C4'-P-C4' energy: -75.385 flat angles P-C4'-P energy: -48.448 tors. eta vs tors. theta energy: -98.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1080.655363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.655363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.655363 (E_RNA) where: Base-Base interactions energy: -733.262 where: short stacking energy: -332.390 Base-Backbone interact. energy: -0.846 local terms energy: -346.547114 where: bonds (distance) C4'-P energy: -65.247 bonds (distance) P-C4' energy: -69.610 flat angles C4'-P-C4' energy: -79.729 flat angles P-C4'-P energy: -50.483 tors. eta vs tors. theta energy: -81.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -909.874572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.874572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.874572 (E_RNA) where: Base-Base interactions energy: -584.423 where: short stacking energy: -280.305 Base-Backbone interact. energy: -1.207 local terms energy: -324.244385 where: bonds (distance) C4'-P energy: -55.826 bonds (distance) P-C4' energy: -78.072 flat angles C4'-P-C4' energy: -86.808 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -55.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -785.857100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.857100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.857100 (E_RNA) where: Base-Base interactions energy: -515.449 where: short stacking energy: -216.813 Base-Backbone interact. energy: -1.974 local terms energy: -268.434855 where: bonds (distance) C4'-P energy: -70.200 bonds (distance) P-C4' energy: -72.527 flat angles C4'-P-C4' energy: -54.690 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -20.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -637.425851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.425851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.425851 (E_RNA) where: Base-Base interactions energy: -360.672 where: short stacking energy: -192.552 Base-Backbone interact. energy: -1.236 local terms energy: -275.517891 where: bonds (distance) C4'-P energy: -60.018 bonds (distance) P-C4' energy: -70.610 flat angles C4'-P-C4' energy: -73.348 flat angles P-C4'-P energy: -38.615 tors. eta vs tors. theta energy: -32.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1547.450654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.450654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.450654 (E_RNA) where: Base-Base interactions energy: -1099.492 where: short stacking energy: -424.174 Base-Backbone interact. energy: -3.044 local terms energy: -444.915354 where: bonds (distance) C4'-P energy: -88.282 bonds (distance) P-C4' energy: -85.392 flat angles C4'-P-C4' energy: -96.400 flat angles P-C4'-P energy: -57.372 tors. eta vs tors. theta energy: -117.470 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: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1548.737684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.737684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.737684 (E_RNA) where: Base-Base interactions energy: -1101.220 where: short stacking energy: -450.628 Base-Backbone interact. energy: -0.735 local terms energy: -446.783405 where: bonds (distance) C4'-P energy: -83.734 bonds (distance) P-C4' energy: -89.754 flat angles C4'-P-C4' energy: -87.217 flat angles P-C4'-P energy: -61.346 tors. eta vs tors. theta energy: -124.733 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: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1428.712116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.712116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.712116 (E_RNA) where: Base-Base interactions energy: -1003.679 where: short stacking energy: -420.178 Base-Backbone interact. energy: -1.362 local terms energy: -423.670800 where: bonds (distance) C4'-P energy: -81.072 bonds (distance) P-C4' energy: -85.726 flat angles C4'-P-C4' energy: -81.275 flat angles P-C4'-P energy: -56.543 tors. eta vs tors. theta energy: -119.055 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: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1318.901640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.901640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.901640 (E_RNA) where: Base-Base interactions energy: -898.508 where: short stacking energy: -393.268 Base-Backbone interact. energy: 0.758 local terms energy: -421.151686 where: bonds (distance) C4'-P energy: -72.173 bonds (distance) P-C4' energy: -90.308 flat angles C4'-P-C4' energy: -93.390 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -100.727 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: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1304.917763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.917763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.917763 (E_RNA) where: Base-Base interactions energy: -910.614 where: short stacking energy: -361.001 Base-Backbone interact. energy: -0.591 local terms energy: -393.712679 where: bonds (distance) C4'-P energy: -74.783 bonds (distance) P-C4' energy: -82.017 flat angles C4'-P-C4' energy: -85.871 flat angles P-C4'-P energy: -48.500 tors. eta vs tors. theta energy: -102.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1311.077059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.077059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.077059 (E_RNA) where: Base-Base interactions energy: -897.346 where: short stacking energy: -395.667 Base-Backbone interact. energy: -0.810 local terms energy: -412.920394 where: bonds (distance) C4'-P energy: -72.328 bonds (distance) P-C4' energy: -78.162 flat angles C4'-P-C4' energy: -87.480 flat angles P-C4'-P energy: -57.854 tors. eta vs tors. theta energy: -117.098 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: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1116.364938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.364938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.364938 (E_RNA) where: Base-Base interactions energy: -762.358 where: short stacking energy: -331.955 Base-Backbone interact. energy: -1.173 local terms energy: -352.834661 where: bonds (distance) C4'-P energy: -63.239 bonds (distance) P-C4' energy: -66.500 flat angles C4'-P-C4' energy: -80.358 flat angles P-C4'-P energy: -59.108 tors. eta vs tors. theta energy: -83.629 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: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -841.122056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.122056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.122056 (E_RNA) where: Base-Base interactions energy: -524.773 where: short stacking energy: -266.433 Base-Backbone interact. energy: -1.565 local terms energy: -314.784271 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -86.759 flat angles C4'-P-C4' energy: -74.125 flat angles P-C4'-P energy: -33.326 tors. eta vs tors. theta energy: -54.160 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: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -763.553974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.553974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.553974 (E_RNA) where: Base-Base interactions energy: -493.006 where: short stacking energy: -203.859 Base-Backbone interact. energy: 0.679 local terms energy: -271.226927 where: bonds (distance) C4'-P energy: -66.242 bonds (distance) P-C4' energy: -74.038 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -30.808 tors. eta vs tors. theta energy: -33.836 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: 2 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -595.669701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.669701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.669701 (E_RNA) where: Base-Base interactions energy: -350.166 where: short stacking energy: -179.787 Base-Backbone interact. energy: 1.593 local terms energy: -247.096628 where: bonds (distance) C4'-P energy: -54.029 bonds (distance) P-C4' energy: -70.727 flat angles C4'-P-C4' energy: -66.764 flat angles P-C4'-P energy: -43.069 tors. eta vs tors. theta energy: -12.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1554.670656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.670656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.670656 (E_RNA) where: Base-Base interactions energy: -1104.795 where: short stacking energy: -436.546 Base-Backbone interact. energy: -1.372 local terms energy: -448.503817 where: bonds (distance) C4'-P energy: -83.955 bonds (distance) P-C4' energy: -94.870 flat angles C4'-P-C4' energy: -88.521 flat angles P-C4'-P energy: -65.784 tors. eta vs tors. theta energy: -115.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1484.726319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.726319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.726319 (E_RNA) where: Base-Base interactions energy: -1053.567 where: short stacking energy: -421.381 Base-Backbone interact. energy: -5.384 local terms energy: -425.775912 where: bonds (distance) C4'-P energy: -75.048 bonds (distance) P-C4' energy: -80.640 flat angles C4'-P-C4' energy: -94.371 flat angles P-C4'-P energy: -55.820 tors. eta vs tors. theta energy: -119.896 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: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1400.629958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.629958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.629958 (E_RNA) where: Base-Base interactions energy: -967.059 where: short stacking energy: -431.810 Base-Backbone interact. energy: -1.676 local terms energy: -431.894787 where: bonds (distance) C4'-P energy: -71.841 bonds (distance) P-C4' energy: -81.093 flat angles C4'-P-C4' energy: -92.277 flat angles P-C4'-P energy: -69.214 tors. eta vs tors. theta energy: -117.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1340.774100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.774100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.774100 (E_RNA) where: Base-Base interactions energy: -923.258 where: short stacking energy: -403.670 Base-Backbone interact. energy: -0.384 local terms energy: -417.131949 where: bonds (distance) C4'-P energy: -71.381 bonds (distance) P-C4' energy: -76.366 flat angles C4'-P-C4' energy: -94.190 flat angles P-C4'-P energy: -64.290 tors. eta vs tors. theta energy: -110.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1326.511368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.511368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.511368 (E_RNA) where: Base-Base interactions energy: -924.979 where: short stacking energy: -376.085 Base-Backbone interact. energy: -1.253 local terms energy: -400.279006 where: bonds (distance) C4'-P energy: -69.237 bonds (distance) P-C4' energy: -73.119 flat angles C4'-P-C4' energy: -86.230 flat angles P-C4'-P energy: -61.699 tors. eta vs tors. theta energy: -109.995 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: 6, replica: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1253.370252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.370252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.370252 (E_RNA) where: Base-Base interactions energy: -855.438 where: short stacking energy: -366.426 Base-Backbone interact. energy: -0.296 local terms energy: -397.635832 where: bonds (distance) C4'-P energy: -77.180 bonds (distance) P-C4' energy: -83.589 flat angles C4'-P-C4' energy: -80.708 flat angles P-C4'-P energy: -55.727 tors. eta vs tors. theta energy: -100.432 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1131.730653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.730653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.730653 (E_RNA) where: Base-Base interactions energy: -763.268 where: short stacking energy: -332.640 Base-Backbone interact. energy: -0.929 local terms energy: -367.533942 where: bonds (distance) C4'-P energy: -66.471 bonds (distance) P-C4' energy: -70.565 flat angles C4'-P-C4' energy: -84.119 flat angles P-C4'-P energy: -57.931 tors. eta vs tors. theta energy: -88.447 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: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -813.426322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.426322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.426322 (E_RNA) where: Base-Base interactions energy: -517.644 where: short stacking energy: -246.103 Base-Backbone interact. energy: 0.076 local terms energy: -295.858380 where: bonds (distance) C4'-P energy: -65.716 bonds (distance) P-C4' energy: -75.341 flat angles C4'-P-C4' energy: -75.231 flat angles P-C4'-P energy: -37.876 tors. eta vs tors. theta energy: -41.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -744.628220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.628220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.628220 (E_RNA) where: Base-Base interactions energy: -471.354 where: short stacking energy: -202.428 Base-Backbone interact. energy: 0.337 local terms energy: -273.611447 where: bonds (distance) C4'-P energy: -59.096 bonds (distance) P-C4' energy: -61.975 flat angles C4'-P-C4' energy: -72.164 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -34.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -607.540320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.540320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.540320 (E_RNA) where: Base-Base interactions energy: -342.725 where: short stacking energy: -159.701 Base-Backbone interact. energy: -0.705 local terms energy: -264.110174 where: bonds (distance) C4'-P energy: -70.500 bonds (distance) P-C4' energy: -74.214 flat angles C4'-P-C4' energy: -53.202 flat angles P-C4'-P energy: -47.002 tors. eta vs tors. theta energy: -19.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1539.473935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.473935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.473935 (E_RNA) where: Base-Base interactions energy: -1087.426 where: short stacking energy: -433.207 Base-Backbone interact. energy: -2.158 local terms energy: -449.889603 where: bonds (distance) C4'-P energy: -84.271 bonds (distance) P-C4' energy: -90.047 flat angles C4'-P-C4' energy: -99.195 flat angles P-C4'-P energy: -60.508 tors. eta vs tors. theta energy: -115.868 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: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1481.806418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.806418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.806418 (E_RNA) where: Base-Base interactions energy: -1052.724 where: short stacking energy: -425.221 Base-Backbone interact. energy: -3.111 local terms energy: -425.971790 where: bonds (distance) C4'-P energy: -96.102 bonds (distance) P-C4' energy: -73.893 flat angles C4'-P-C4' energy: -92.491 flat angles P-C4'-P energy: -49.567 tors. eta vs tors. theta energy: -113.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1389.045458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.045458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.045458 (E_RNA) where: Base-Base interactions energy: -977.051 where: short stacking energy: -421.745 Base-Backbone interact. energy: 0.379 local terms energy: -412.373792 where: bonds (distance) C4'-P energy: -71.174 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -86.093 flat angles P-C4'-P energy: -59.430 tors. eta vs tors. theta energy: -117.171 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: 4, replica: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1357.032685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.032685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.032685 (E_RNA) where: Base-Base interactions energy: -938.539 where: short stacking energy: -402.711 Base-Backbone interact. energy: -2.265 local terms energy: -416.228391 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -90.483 flat angles C4'-P-C4' energy: -91.344 flat angles P-C4'-P energy: -53.366 tors. eta vs tors. theta energy: -103.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1306.251516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.251516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.251516 (E_RNA) where: Base-Base interactions energy: -899.497 where: short stacking energy: -386.125 Base-Backbone interact. energy: 0.261 local terms energy: -408.560394 where: bonds (distance) C4'-P energy: -69.851 bonds (distance) P-C4' energy: -74.365 flat angles C4'-P-C4' energy: -88.221 flat angles P-C4'-P energy: -60.436 tors. eta vs tors. theta energy: -115.688 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: 6, replica: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1282.070830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.070830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.070830 (E_RNA) where: Base-Base interactions energy: -892.408 where: short stacking energy: -384.655 Base-Backbone interact. energy: 2.477 local terms energy: -392.140014 where: bonds (distance) C4'-P energy: -77.127 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -85.442 flat angles P-C4'-P energy: -48.902 tors. eta vs tors. theta energy: -97.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1145.453951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.453951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.453951 (E_RNA) where: Base-Base interactions energy: -775.710 where: short stacking energy: -337.683 Base-Backbone interact. energy: -1.662 local terms energy: -368.081707 where: bonds (distance) C4'-P energy: -73.196 bonds (distance) P-C4' energy: -71.922 flat angles C4'-P-C4' energy: -77.658 flat angles P-C4'-P energy: -48.856 tors. eta vs tors. theta energy: -96.450 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: 446 Temperature: 1.250000 Total energy: -795.026102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.026102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.026102 (E_RNA) where: Base-Base interactions energy: -487.880 where: short stacking energy: -235.586 Base-Backbone interact. energy: -1.779 local terms energy: -305.367585 where: bonds (distance) C4'-P energy: -66.802 bonds (distance) P-C4' energy: -80.319 flat angles C4'-P-C4' energy: -76.052 flat angles P-C4'-P energy: -41.265 tors. eta vs tors. theta energy: -40.930 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: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -703.939547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.939547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.939547 (E_RNA) where: Base-Base interactions energy: -439.559 where: short stacking energy: -194.625 Base-Backbone interact. energy: -1.247 local terms energy: -263.133687 where: bonds (distance) C4'-P energy: -70.638 bonds (distance) P-C4' energy: -70.749 flat angles C4'-P-C4' energy: -66.084 flat angles P-C4'-P energy: -40.528 tors. eta vs tors. theta energy: -15.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -544.364486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.364486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.364486 (E_RNA) where: Base-Base interactions energy: -303.202 where: short stacking energy: -148.051 Base-Backbone interact. energy: -2.496 local terms energy: -238.666467 where: bonds (distance) C4'-P energy: -63.725 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -68.503 flat angles P-C4'-P energy: -34.870 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1550.207036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.207036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.207036 (E_RNA) where: Base-Base interactions energy: -1092.086 where: short stacking energy: -431.462 Base-Backbone interact. energy: -0.321 local terms energy: -457.799498 where: bonds (distance) C4'-P energy: -76.657 bonds (distance) P-C4' energy: -92.146 flat angles C4'-P-C4' energy: -90.890 flat angles P-C4'-P energy: -68.922 tors. eta vs tors. theta energy: -129.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1481.586283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.586283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.586283 (E_RNA) where: Base-Base interactions energy: -1055.315 where: short stacking energy: -435.799 Base-Backbone interact. energy: -0.296 local terms energy: -425.975364 where: bonds (distance) C4'-P energy: -77.846 bonds (distance) P-C4' energy: -80.752 flat angles C4'-P-C4' energy: -90.358 flat angles P-C4'-P energy: -59.894 tors. eta vs tors. theta energy: -117.125 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: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1374.840674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.840674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.840674 (E_RNA) where: Base-Base interactions energy: -951.462 where: short stacking energy: -413.295 Base-Backbone interact. energy: -3.181 local terms energy: -420.198064 where: bonds (distance) C4'-P energy: -71.980 bonds (distance) P-C4' energy: -77.455 flat angles C4'-P-C4' energy: -99.280 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -116.160 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: 6 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1348.089540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.089540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.089540 (E_RNA) where: Base-Base interactions energy: -948.277 where: short stacking energy: -421.483 Base-Backbone interact. energy: -2.442 local terms energy: -397.370231 where: bonds (distance) C4'-P energy: -70.628 bonds (distance) P-C4' energy: -82.452 flat angles C4'-P-C4' energy: -82.836 flat angles P-C4'-P energy: -46.572 tors. eta vs tors. theta energy: -114.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1282.968020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.968020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.968020 (E_RNA) where: Base-Base interactions energy: -865.297 where: short stacking energy: -393.816 Base-Backbone interact. energy: -3.762 local terms energy: -414.791394 where: bonds (distance) C4'-P energy: -85.382 bonds (distance) P-C4' energy: -79.819 flat angles C4'-P-C4' energy: -82.273 flat angles P-C4'-P energy: -58.772 tors. eta vs tors. theta energy: -108.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.883 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1256.800876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.800876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.800876 (E_RNA) where: Base-Base interactions energy: -860.104 where: short stacking energy: -361.066 Base-Backbone interact. energy: -1.451 local terms energy: -395.245816 where: bonds (distance) C4'-P energy: -62.473 bonds (distance) P-C4' energy: -82.877 flat angles C4'-P-C4' energy: -88.007 flat angles P-C4'-P energy: -54.632 tors. eta vs tors. theta energy: -107.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1139.173124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.173124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.173124 (E_RNA) where: Base-Base interactions energy: -794.293 where: short stacking energy: -364.274 Base-Backbone interact. energy: -0.765 local terms energy: -344.114776 where: bonds (distance) C4'-P energy: -65.485 bonds (distance) P-C4' energy: -61.601 flat angles C4'-P-C4' energy: -79.064 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -88.594 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: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -787.479102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.479102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.479102 (E_RNA) where: Base-Base interactions energy: -496.087 where: short stacking energy: -257.500 Base-Backbone interact. energy: -0.155 local terms energy: -291.236595 where: bonds (distance) C4'-P energy: -63.322 bonds (distance) P-C4' energy: -65.932 flat angles C4'-P-C4' energy: -63.127 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -54.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -727.992841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.992841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.992841 (E_RNA) where: Base-Base interactions energy: -452.485 where: short stacking energy: -186.961 Base-Backbone interact. energy: 0.785 local terms energy: -276.292726 where: bonds (distance) C4'-P energy: -63.036 bonds (distance) P-C4' energy: -86.101 flat angles C4'-P-C4' energy: -64.782 flat angles P-C4'-P energy: -48.455 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -532.551026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.551026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.551026 (E_RNA) where: Base-Base interactions energy: -286.439 where: short stacking energy: -148.160 Base-Backbone interact. energy: -0.651 local terms energy: -245.461231 where: bonds (distance) C4'-P energy: -56.113 bonds (distance) P-C4' energy: -70.614 flat angles C4'-P-C4' energy: -55.992 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: -21.022 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: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1553.543613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.543613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.543613 (E_RNA) where: Base-Base interactions energy: -1099.032 where: short stacking energy: -433.325 Base-Backbone interact. energy: -2.645 local terms energy: -451.865889 where: bonds (distance) C4'-P energy: -82.311 bonds (distance) P-C4' energy: -88.795 flat angles C4'-P-C4' energy: -91.551 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -129.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1491.647776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.647776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.647776 (E_RNA) where: Base-Base interactions energy: -1056.583 where: short stacking energy: -437.491 Base-Backbone interact. energy: 1.819 local terms energy: -436.883824 where: bonds (distance) C4'-P energy: -77.600 bonds (distance) P-C4' energy: -86.569 flat angles C4'-P-C4' energy: -93.362 flat angles P-C4'-P energy: -61.177 tors. eta vs tors. theta energy: -118.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1397.609842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.609842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.609842 (E_RNA) where: Base-Base interactions energy: -970.096 where: short stacking energy: -417.757 Base-Backbone interact. energy: -4.534 local terms energy: -422.980467 where: bonds (distance) C4'-P energy: -75.353 bonds (distance) P-C4' energy: -81.735 flat angles C4'-P-C4' energy: -86.629 flat angles P-C4'-P energy: -63.667 tors. eta vs tors. theta energy: -115.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1353.763553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.763553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.763553 (E_RNA) where: Base-Base interactions energy: -922.156 where: short stacking energy: -393.364 Base-Backbone interact. energy: -0.779 local terms energy: -430.828288 where: bonds (distance) C4'-P energy: -73.813 bonds (distance) P-C4' energy: -79.433 flat angles C4'-P-C4' energy: -96.817 flat angles P-C4'-P energy: -61.630 tors. eta vs tors. theta energy: -119.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1292.640473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.640473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.640473 (E_RNA) where: Base-Base interactions energy: -884.867 where: short stacking energy: -378.094 Base-Backbone interact. energy: -2.100 local terms energy: -405.674205 where: bonds (distance) C4'-P energy: -72.413 bonds (distance) P-C4' energy: -78.107 flat angles C4'-P-C4' energy: -89.278 flat angles P-C4'-P energy: -59.479 tors. eta vs tors. theta energy: -106.397 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: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1219.204699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.204699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.204699 (E_RNA) where: Base-Base interactions energy: -825.954 where: short stacking energy: -366.602 Base-Backbone interact. energy: -1.696 local terms energy: -391.554665 where: bonds (distance) C4'-P energy: -85.873 bonds (distance) P-C4' energy: -65.965 flat angles C4'-P-C4' energy: -91.159 flat angles P-C4'-P energy: -60.805 tors. eta vs tors. theta energy: -87.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1137.463750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.463750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.463750 (E_RNA) where: Base-Base interactions energy: -785.981 where: short stacking energy: -356.452 Base-Backbone interact. energy: 2.956 local terms energy: -354.438323 where: bonds (distance) C4'-P energy: -67.313 bonds (distance) P-C4' energy: -62.497 flat angles C4'-P-C4' energy: -89.796 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -80.697 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: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -867.860045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.860045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.860045 (E_RNA) where: Base-Base interactions energy: -536.356 where: short stacking energy: -245.032 Base-Backbone interact. energy: -2.431 local terms energy: -329.072900 where: bonds (distance) C4'-P energy: -78.140 bonds (distance) P-C4' energy: -70.736 flat angles C4'-P-C4' energy: -86.812 flat angles P-C4'-P energy: -46.465 tors. eta vs tors. theta energy: -46.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -737.431213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.431213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.431213 (E_RNA) where: Base-Base interactions energy: -474.922 where: short stacking energy: -201.745 Base-Backbone interact. energy: 1.124 local terms energy: -263.633440 where: bonds (distance) C4'-P energy: -77.020 bonds (distance) P-C4' energy: -53.681 flat angles C4'-P-C4' energy: -65.092 flat angles P-C4'-P energy: -50.387 tors. eta vs tors. theta energy: -17.453 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: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -516.314964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.314964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.314964 (E_RNA) where: Base-Base interactions energy: -270.040 where: short stacking energy: -161.566 Base-Backbone interact. energy: -2.019 local terms energy: -244.256306 where: bonds (distance) C4'-P energy: -70.460 bonds (distance) P-C4' energy: -75.693 flat angles C4'-P-C4' energy: -63.916 flat angles P-C4'-P energy: -24.252 tors. eta vs tors. theta energy: -9.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1558.131465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.131465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.131465 (E_RNA) where: Base-Base interactions energy: -1102.794 where: short stacking energy: -446.913 Base-Backbone interact. energy: -2.379 local terms energy: -452.958549 where: bonds (distance) C4'-P energy: -86.952 bonds (distance) P-C4' energy: -75.160 flat angles C4'-P-C4' energy: -100.051 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -124.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1499.438981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.438981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.438981 (E_RNA) where: Base-Base interactions energy: -1051.477 where: short stacking energy: -426.378 Base-Backbone interact. energy: -3.401 local terms energy: -444.561701 where: bonds (distance) C4'-P energy: -87.029 bonds (distance) P-C4' energy: -82.556 flat angles C4'-P-C4' energy: -105.216 flat angles P-C4'-P energy: -55.957 tors. eta vs tors. theta energy: -113.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1390.775245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.775245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.775245 (E_RNA) where: Base-Base interactions energy: -965.401 where: short stacking energy: -403.606 Base-Backbone interact. energy: -0.441 local terms energy: -424.932786 where: bonds (distance) C4'-P energy: -85.517 bonds (distance) P-C4' energy: -72.248 flat angles C4'-P-C4' energy: -90.573 flat angles P-C4'-P energy: -57.416 tors. eta vs tors. theta energy: -119.179 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: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1337.194650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.194650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.194650 (E_RNA) where: Base-Base interactions energy: -923.293 where: short stacking energy: -397.606 Base-Backbone interact. energy: 0.165 local terms energy: -414.067086 where: bonds (distance) C4'-P energy: -79.655 bonds (distance) P-C4' energy: -72.165 flat angles C4'-P-C4' energy: -97.577 flat angles P-C4'-P energy: -50.107 tors. eta vs tors. theta energy: -114.563 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: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1302.458613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.458613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.458613 (E_RNA) where: Base-Base interactions energy: -897.440 where: short stacking energy: -403.182 Base-Backbone interact. energy: 0.579 local terms energy: -405.597162 where: bonds (distance) C4'-P energy: -70.865 bonds (distance) P-C4' energy: -83.008 flat angles C4'-P-C4' energy: -85.847 flat angles P-C4'-P energy: -55.789 tors. eta vs tors. theta energy: -110.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1208.559527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.559527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.559527 (E_RNA) where: Base-Base interactions energy: -824.565 where: short stacking energy: -356.112 Base-Backbone interact. energy: -0.183 local terms energy: -384.776347 where: bonds (distance) C4'-P energy: -67.309 bonds (distance) P-C4' energy: -82.968 flat angles C4'-P-C4' energy: -84.065 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -96.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.965 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1139.268985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.268985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.268985 (E_RNA) where: Base-Base interactions energy: -784.408 where: short stacking energy: -356.471 Base-Backbone interact. energy: -0.442 local terms energy: -354.418950 where: bonds (distance) C4'-P energy: -56.079 bonds (distance) P-C4' energy: -63.618 flat angles C4'-P-C4' energy: -84.979 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: -94.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -869.377741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.377741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.377741 (E_RNA) where: Base-Base interactions energy: -582.779 where: short stacking energy: -252.119 Base-Backbone interact. energy: 0.518 local terms energy: -287.116878 where: bonds (distance) C4'-P energy: -59.797 bonds (distance) P-C4' energy: -65.783 flat angles C4'-P-C4' energy: -77.100 flat angles P-C4'-P energy: -41.290 tors. eta vs tors. theta energy: -43.146 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: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -784.397924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.397924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.397924 (E_RNA) where: Base-Base interactions energy: -512.274 where: short stacking energy: -223.645 Base-Backbone interact. energy: 3.571 local terms energy: -275.694244 where: bonds (distance) C4'-P energy: -50.678 bonds (distance) P-C4' energy: -75.842 flat angles C4'-P-C4' energy: -66.733 flat angles P-C4'-P energy: -29.332 tors. eta vs tors. theta energy: -53.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -542.468347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.468347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.468347 (E_RNA) where: Base-Base interactions energy: -297.597 where: short stacking energy: -148.021 Base-Backbone interact. energy: -0.863 local terms energy: -244.008340 where: bonds (distance) C4'-P energy: -64.899 bonds (distance) P-C4' energy: -73.219 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -44.544 tors. eta vs tors. theta energy: 3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1546.555160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.555160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.555160 (E_RNA) where: Base-Base interactions energy: -1094.457 where: short stacking energy: -437.365 Base-Backbone interact. energy: -0.080 local terms energy: -452.018647 where: bonds (distance) C4'-P energy: -85.630 bonds (distance) P-C4' energy: -86.878 flat angles C4'-P-C4' energy: -94.848 flat angles P-C4'-P energy: -64.500 tors. eta vs tors. theta energy: -120.162 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: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1544.127469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.127469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.127469 (E_RNA) where: Base-Base interactions energy: -1097.320 where: short stacking energy: -436.545 Base-Backbone interact. energy: -3.893 local terms energy: -442.913958 where: bonds (distance) C4'-P energy: -86.215 bonds (distance) P-C4' energy: -83.087 flat angles C4'-P-C4' energy: -102.864 flat angles P-C4'-P energy: -55.748 tors. eta vs tors. theta energy: -115.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1404.269996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.269996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.269996 (E_RNA) where: Base-Base interactions energy: -967.262 where: short stacking energy: -418.346 Base-Backbone interact. energy: -1.360 local terms energy: -435.648472 where: bonds (distance) C4'-P energy: -80.697 bonds (distance) P-C4' energy: -83.822 flat angles C4'-P-C4' energy: -92.472 flat angles P-C4'-P energy: -59.325 tors. eta vs tors. theta energy: -119.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1347.180994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.180994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.180994 (E_RNA) where: Base-Base interactions energy: -932.628 where: short stacking energy: -400.140 Base-Backbone interact. energy: -0.431 local terms energy: -414.122500 where: bonds (distance) C4'-P energy: -70.571 bonds (distance) P-C4' energy: -80.516 flat angles C4'-P-C4' energy: -97.705 flat angles P-C4'-P energy: -56.103 tors. eta vs tors. theta energy: -109.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1313.203333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.203333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.203333 (E_RNA) where: Base-Base interactions energy: -896.213 where: short stacking energy: -400.787 Base-Backbone interact. energy: -1.822 local terms energy: -415.168377 where: bonds (distance) C4'-P energy: -71.535 bonds (distance) P-C4' energy: -80.111 flat angles C4'-P-C4' energy: -97.474 flat angles P-C4'-P energy: -59.635 tors. eta vs tors. theta energy: -106.413 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: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1244.243741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.243741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.243741 (E_RNA) where: Base-Base interactions energy: -838.987 where: short stacking energy: -375.246 Base-Backbone interact. energy: -2.224 local terms energy: -403.033180 where: bonds (distance) C4'-P energy: -73.898 bonds (distance) P-C4' energy: -81.192 flat angles C4'-P-C4' energy: -80.827 flat angles P-C4'-P energy: -54.438 tors. eta vs tors. theta energy: -112.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1118.853652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.853652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.853652 (E_RNA) where: Base-Base interactions energy: -750.709 where: short stacking energy: -330.944 Base-Backbone interact. energy: -1.326 local terms energy: -366.818258 where: bonds (distance) C4'-P energy: -69.668 bonds (distance) P-C4' energy: -65.655 flat angles C4'-P-C4' energy: -77.367 flat angles P-C4'-P energy: -57.832 tors. eta vs tors. theta energy: -96.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -882.849707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.849707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.849707 (E_RNA) where: Base-Base interactions energy: -565.557 where: short stacking energy: -258.419 Base-Backbone interact. energy: -2.203 local terms energy: -315.090000 where: bonds (distance) C4'-P energy: -64.946 bonds (distance) P-C4' energy: -75.003 flat angles C4'-P-C4' energy: -74.233 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: -58.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -766.703272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.703272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.703272 (E_RNA) where: Base-Base interactions energy: -496.016 where: short stacking energy: -196.512 Base-Backbone interact. energy: -0.806 local terms energy: -269.881481 where: bonds (distance) C4'-P energy: -66.005 bonds (distance) P-C4' energy: -72.002 flat angles C4'-P-C4' energy: -69.575 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: -14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -580.160967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.160967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.160967 (E_RNA) where: Base-Base interactions energy: -309.012 where: short stacking energy: -170.455 Base-Backbone interact. energy: 0.132 local terms energy: -271.281143 where: bonds (distance) C4'-P energy: -75.941 bonds (distance) P-C4' energy: -71.211 flat angles C4'-P-C4' energy: -72.568 flat angles P-C4'-P energy: -43.069 tors. eta vs tors. theta energy: -8.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1520.211549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.211549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.211549 (E_RNA) where: Base-Base interactions energy: -1083.898 where: short stacking energy: -440.752 Base-Backbone interact. energy: -3.650 local terms energy: -432.664153 where: bonds (distance) C4'-P energy: -87.982 bonds (distance) P-C4' energy: -81.913 flat angles C4'-P-C4' energy: -87.373 flat angles P-C4'-P energy: -58.057 tors. eta vs tors. theta energy: -117.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1537.350777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.350777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.350777 (E_RNA) where: Base-Base interactions energy: -1105.000 where: short stacking energy: -443.298 Base-Backbone interact. energy: -2.492 local terms energy: -429.858414 where: bonds (distance) C4'-P energy: -85.222 bonds (distance) P-C4' energy: -80.967 flat angles C4'-P-C4' energy: -90.816 flat angles P-C4'-P energy: -48.407 tors. eta vs tors. theta energy: -124.448 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: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1395.782517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.782517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.782517 (E_RNA) where: Base-Base interactions energy: -971.772 where: short stacking energy: -433.134 Base-Backbone interact. energy: 0.132 local terms energy: -424.142600 where: bonds (distance) C4'-P energy: -81.516 bonds (distance) P-C4' energy: -72.935 flat angles C4'-P-C4' energy: -93.541 flat angles P-C4'-P energy: -61.215 tors. eta vs tors. theta energy: -114.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1333.621685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.621685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.621685 (E_RNA) where: Base-Base interactions energy: -918.768 where: short stacking energy: -408.039 Base-Backbone interact. energy: -1.633 local terms energy: -413.221457 where: bonds (distance) C4'-P energy: -76.675 bonds (distance) P-C4' energy: -77.301 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -58.391 tors. eta vs tors. theta energy: -109.349 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: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1338.493968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.493968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.493968 (E_RNA) where: Base-Base interactions energy: -906.249 where: short stacking energy: -414.111 Base-Backbone interact. energy: -3.934 local terms energy: -428.310889 where: bonds (distance) C4'-P energy: -74.354 bonds (distance) P-C4' energy: -87.224 flat angles C4'-P-C4' energy: -87.403 flat angles P-C4'-P energy: -64.458 tors. eta vs tors. theta energy: -114.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1229.109156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.109156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.109156 (E_RNA) where: Base-Base interactions energy: -838.136 where: short stacking energy: -362.636 Base-Backbone interact. energy: 0.309 local terms energy: -391.282369 where: bonds (distance) C4'-P energy: -64.706 bonds (distance) P-C4' energy: -85.900 flat angles C4'-P-C4' energy: -87.956 flat angles P-C4'-P energy: -54.923 tors. eta vs tors. theta energy: -97.798 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: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1133.758824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.758824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.758824 (E_RNA) where: Base-Base interactions energy: -741.263 where: short stacking energy: -343.801 Base-Backbone interact. energy: -1.415 local terms energy: -391.081446 where: bonds (distance) C4'-P energy: -70.666 bonds (distance) P-C4' energy: -83.774 flat angles C4'-P-C4' energy: -88.584 flat angles P-C4'-P energy: -55.614 tors. eta vs tors. theta energy: -92.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -809.559355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.559355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.559355 (E_RNA) where: Base-Base interactions energy: -501.679 where: short stacking energy: -241.259 Base-Backbone interact. energy: -0.695 local terms energy: -307.184425 where: bonds (distance) C4'-P energy: -84.842 bonds (distance) P-C4' energy: -70.220 flat angles C4'-P-C4' energy: -66.772 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -41.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -796.217455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.217455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.217455 (E_RNA) where: Base-Base interactions energy: -520.120 where: short stacking energy: -234.262 Base-Backbone interact. energy: 1.288 local terms energy: -277.385536 where: bonds (distance) C4'-P energy: -71.977 bonds (distance) P-C4' energy: -63.763 flat angles C4'-P-C4' energy: -58.914 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: -45.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -528.647720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.647720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.647720 (E_RNA) where: Base-Base interactions energy: -292.629 where: short stacking energy: -157.339 Base-Backbone interact. energy: -0.168 local terms energy: -236.902970 where: bonds (distance) C4'-P energy: -64.354 bonds (distance) P-C4' energy: -75.174 flat angles C4'-P-C4' energy: -62.328 flat angles P-C4'-P energy: -33.758 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.052 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1546.964594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.964594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.964594 (E_RNA) where: Base-Base interactions energy: -1094.857 where: short stacking energy: -447.492 Base-Backbone interact. energy: -1.796 local terms energy: -450.312035 where: bonds (distance) C4'-P energy: -74.484 bonds (distance) P-C4' energy: -94.586 flat angles C4'-P-C4' energy: -98.992 flat angles P-C4'-P energy: -59.818 tors. eta vs tors. theta energy: -122.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1539.649069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.649069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.649069 (E_RNA) where: Base-Base interactions energy: -1089.589 where: short stacking energy: -439.047 Base-Backbone interact. energy: -3.532 local terms energy: -446.528332 where: bonds (distance) C4'-P energy: -92.023 bonds (distance) P-C4' energy: -76.199 flat angles C4'-P-C4' energy: -96.640 flat angles P-C4'-P energy: -58.792 tors. eta vs tors. theta energy: -122.874 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: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1383.478209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.478209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.478209 (E_RNA) where: Base-Base interactions energy: -951.544 where: short stacking energy: -414.377 Base-Backbone interact. energy: -1.286 local terms energy: -430.647490 where: bonds (distance) C4'-P energy: -90.849 bonds (distance) P-C4' energy: -79.658 flat angles C4'-P-C4' energy: -83.717 flat angles P-C4'-P energy: -63.697 tors. eta vs tors. theta energy: -112.727 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: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1338.701075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.701075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.701075 (E_RNA) where: Base-Base interactions energy: -926.803 where: short stacking energy: -401.005 Base-Backbone interact. energy: -1.089 local terms energy: -410.809185 where: bonds (distance) C4'-P energy: -75.313 bonds (distance) P-C4' energy: -84.842 flat angles C4'-P-C4' energy: -86.477 flat angles P-C4'-P energy: -57.524 tors. eta vs tors. theta energy: -106.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1341.212219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.212219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.212219 (E_RNA) where: Base-Base interactions energy: -922.357 where: short stacking energy: -421.626 Base-Backbone interact. energy: -2.322 local terms energy: -416.532266 where: bonds (distance) C4'-P energy: -71.966 bonds (distance) P-C4' energy: -78.143 flat angles C4'-P-C4' energy: -92.202 flat angles P-C4'-P energy: -59.015 tors. eta vs tors. theta energy: -115.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1254.696033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.696033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.696033 (E_RNA) where: Base-Base interactions energy: -871.297 where: short stacking energy: -401.453 Base-Backbone interact. energy: -0.826 local terms energy: -383.338200 where: bonds (distance) C4'-P energy: -66.151 bonds (distance) P-C4' energy: -68.476 flat angles C4'-P-C4' energy: -88.879 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: -103.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.766 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1164.054937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.054937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.054937 (E_RNA) where: Base-Base interactions energy: -795.528 where: short stacking energy: -351.236 Base-Backbone interact. energy: 4.414 local terms energy: -372.941080 where: bonds (distance) C4'-P energy: -70.415 bonds (distance) P-C4' energy: -76.809 flat angles C4'-P-C4' energy: -84.853 flat angles P-C4'-P energy: -45.123 tors. eta vs tors. theta energy: -95.741 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: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -863.959146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.959146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.959146 (E_RNA) where: Base-Base interactions energy: -565.114 where: short stacking energy: -254.249 Base-Backbone interact. energy: -0.809 local terms energy: -298.036650 where: bonds (distance) C4'-P energy: -64.544 bonds (distance) P-C4' energy: -64.158 flat angles C4'-P-C4' energy: -77.369 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -49.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -745.713295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.713295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.713295 (E_RNA) where: Base-Base interactions energy: -466.272 where: short stacking energy: -212.086 Base-Backbone interact. energy: -2.681 local terms energy: -276.823453 where: bonds (distance) C4'-P energy: -76.698 bonds (distance) P-C4' energy: -75.199 flat angles C4'-P-C4' energy: -58.190 flat angles P-C4'-P energy: -36.105 tors. eta vs tors. theta energy: -30.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -534.756188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.756188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.756188 (E_RNA) where: Base-Base interactions energy: -293.467 where: short stacking energy: -152.701 Base-Backbone interact. energy: 0.022 local terms energy: -241.310975 where: bonds (distance) C4'-P energy: -64.770 bonds (distance) P-C4' energy: -70.352 flat angles C4'-P-C4' energy: -68.576 flat angles P-C4'-P energy: -28.921 tors. eta vs tors. theta energy: -8.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1557.417456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.417456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.417456 (E_RNA) where: Base-Base interactions energy: -1106.188 where: short stacking energy: -424.250 Base-Backbone interact. energy: 1.747 local terms energy: -452.975980 where: bonds (distance) C4'-P energy: -71.076 bonds (distance) P-C4' energy: -92.587 flat angles C4'-P-C4' energy: -98.159 flat angles P-C4'-P energy: -69.392 tors. eta vs tors. theta energy: -121.762 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: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1508.285425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.285425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.285425 (E_RNA) where: Base-Base interactions energy: -1072.168 where: short stacking energy: -437.314 Base-Backbone interact. energy: -3.991 local terms energy: -432.126859 where: bonds (distance) C4'-P energy: -75.791 bonds (distance) P-C4' energy: -77.791 flat angles C4'-P-C4' energy: -97.214 flat angles P-C4'-P energy: -60.552 tors. eta vs tors. theta energy: -120.779 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: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1406.176140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.176140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.176140 (E_RNA) where: Base-Base interactions energy: -982.562 where: short stacking energy: -405.012 Base-Backbone interact. energy: -0.216 local terms energy: -423.398521 where: bonds (distance) C4'-P energy: -79.274 bonds (distance) P-C4' energy: -71.776 flat angles C4'-P-C4' energy: -94.017 flat angles P-C4'-P energy: -50.171 tors. eta vs tors. theta energy: -128.160 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: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1356.983304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.983304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.983304 (E_RNA) where: Base-Base interactions energy: -932.501 where: short stacking energy: -405.093 Base-Backbone interact. energy: 1.102 local terms energy: -425.584814 where: bonds (distance) C4'-P energy: -71.518 bonds (distance) P-C4' energy: -83.657 flat angles C4'-P-C4' energy: -92.936 flat angles P-C4'-P energy: -58.829 tors. eta vs tors. theta energy: -118.645 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: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1322.881044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.881044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.881044 (E_RNA) where: Base-Base interactions energy: -913.971 where: short stacking energy: -407.520 Base-Backbone interact. energy: -1.503 local terms energy: -407.407004 where: bonds (distance) C4'-P energy: -74.073 bonds (distance) P-C4' energy: -81.571 flat angles C4'-P-C4' energy: -85.919 flat angles P-C4'-P energy: -55.066 tors. eta vs tors. theta energy: -110.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1156.010844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.010844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.010844 (E_RNA) where: Base-Base interactions energy: -781.390 where: short stacking energy: -343.537 Base-Backbone interact. energy: -0.314 local terms energy: -374.305961 where: bonds (distance) C4'-P energy: -69.694 bonds (distance) P-C4' energy: -83.152 flat angles C4'-P-C4' energy: -85.470 flat angles P-C4'-P energy: -46.327 tors. eta vs tors. theta energy: -89.663 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: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1210.777679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.777679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.777679 (E_RNA) where: Base-Base interactions energy: -830.391 where: short stacking energy: -369.804 Base-Backbone interact. energy: -0.485 local terms energy: -379.901427 where: bonds (distance) C4'-P energy: -69.634 bonds (distance) P-C4' energy: -77.363 flat angles C4'-P-C4' energy: -81.899 flat angles P-C4'-P energy: -50.936 tors. eta vs tors. theta energy: -100.069 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: 8, replica: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -891.701814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.701814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.701814 (E_RNA) where: Base-Base interactions energy: -579.035 where: short stacking energy: -258.925 Base-Backbone interact. energy: -1.353 local terms energy: -311.313991 where: bonds (distance) C4'-P energy: -61.170 bonds (distance) P-C4' energy: -74.805 flat angles C4'-P-C4' energy: -72.108 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: -54.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -792.855132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.855132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.855132 (E_RNA) where: Base-Base interactions energy: -513.756 where: short stacking energy: -239.539 Base-Backbone interact. energy: -1.843 local terms energy: -277.778872 where: bonds (distance) C4'-P energy: -71.283 bonds (distance) P-C4' energy: -68.680 flat angles C4'-P-C4' energy: -62.613 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -36.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.523 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -587.861188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.861188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.861188 (E_RNA) where: Base-Base interactions energy: -344.160 where: short stacking energy: -172.668 Base-Backbone interact. energy: 0.763 local terms energy: -244.464037 where: bonds (distance) C4'-P energy: -73.803 bonds (distance) P-C4' energy: -59.895 flat angles C4'-P-C4' energy: -59.454 flat angles P-C4'-P energy: -34.128 tors. eta vs tors. theta energy: -17.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1577.868021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.868021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.868021 (E_RNA) where: Base-Base interactions energy: -1135.330 where: short stacking energy: -434.005 Base-Backbone interact. energy: 1.696 local terms energy: -444.233825 where: bonds (distance) C4'-P energy: -79.078 bonds (distance) P-C4' energy: -79.421 flat angles C4'-P-C4' energy: -94.902 flat angles P-C4'-P energy: -66.472 tors. eta vs tors. theta energy: -124.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1494.318509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.318509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.318509 (E_RNA) where: Base-Base interactions energy: -1069.089 where: short stacking energy: -436.998 Base-Backbone interact. energy: 2.208 local terms energy: -427.437524 where: bonds (distance) C4'-P energy: -77.385 bonds (distance) P-C4' energy: -83.522 flat angles C4'-P-C4' energy: -101.776 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: -114.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1392.780744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.780744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.780744 (E_RNA) where: Base-Base interactions energy: -969.909 where: short stacking energy: -413.265 Base-Backbone interact. energy: 0.523 local terms energy: -423.394943 where: bonds (distance) C4'-P energy: -78.439 bonds (distance) P-C4' energy: -78.605 flat angles C4'-P-C4' energy: -91.539 flat angles P-C4'-P energy: -57.695 tors. eta vs tors. theta energy: -117.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1363.105074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.105074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.105074 (E_RNA) where: Base-Base interactions energy: -924.421 where: short stacking energy: -430.033 Base-Backbone interact. energy: -1.481 local terms energy: -437.202522 where: bonds (distance) C4'-P energy: -78.374 bonds (distance) P-C4' energy: -82.827 flat angles C4'-P-C4' energy: -95.467 flat angles P-C4'-P energy: -61.647 tors. eta vs tors. theta energy: -118.887 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: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1338.165167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.165167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.165167 (E_RNA) where: Base-Base interactions energy: -907.007 where: short stacking energy: -399.847 Base-Backbone interact. energy: -1.200 local terms energy: -429.958024 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -81.836 flat angles C4'-P-C4' energy: -91.221 flat angles P-C4'-P energy: -70.813 tors. eta vs tors. theta energy: -118.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1184.768987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.768987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.768987 (E_RNA) where: Base-Base interactions energy: -818.969 where: short stacking energy: -383.576 Base-Backbone interact. energy: 0.751 local terms energy: -366.550604 where: bonds (distance) C4'-P energy: -61.911 bonds (distance) P-C4' energy: -67.140 flat angles C4'-P-C4' energy: -79.111 flat angles P-C4'-P energy: -58.477 tors. eta vs tors. theta energy: -99.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1217.654585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.654585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.654585 (E_RNA) where: Base-Base interactions energy: -837.787 where: short stacking energy: -349.275 Base-Backbone interact. energy: 0.012 local terms energy: -379.880174 where: bonds (distance) C4'-P energy: -59.030 bonds (distance) P-C4' energy: -82.151 flat angles C4'-P-C4' energy: -88.616 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -100.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -855.706805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.706805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.706805 (E_RNA) where: Base-Base interactions energy: -548.838 where: short stacking energy: -245.323 Base-Backbone interact. energy: -1.673 local terms energy: -305.196395 where: bonds (distance) C4'-P energy: -70.278 bonds (distance) P-C4' energy: -69.073 flat angles C4'-P-C4' energy: -70.772 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -48.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -661.736121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.736121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.736121 (E_RNA) where: Base-Base interactions energy: -385.825 where: short stacking energy: -183.379 Base-Backbone interact. energy: 4.669 local terms energy: -280.580081 where: bonds (distance) C4'-P energy: -74.703 bonds (distance) P-C4' energy: -72.759 flat angles C4'-P-C4' energy: -59.344 flat angles P-C4'-P energy: -54.213 tors. eta vs tors. theta energy: -19.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -769.320498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.320498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.320498 (E_RNA) where: Base-Base interactions energy: -495.297 where: short stacking energy: -235.509 Base-Backbone interact. energy: 0.083 local terms energy: -274.105984 where: bonds (distance) C4'-P energy: -58.408 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -80.502 flat angles P-C4'-P energy: -37.585 tors. eta vs tors. theta energy: -37.034 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: 7 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1548.297106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.297106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.297106 (E_RNA) where: Base-Base interactions energy: -1121.991 where: short stacking energy: -439.053 Base-Backbone interact. energy: -1.197 local terms energy: -425.108135 where: bonds (distance) C4'-P energy: -75.196 bonds (distance) P-C4' energy: -79.064 flat angles C4'-P-C4' energy: -92.297 flat angles P-C4'-P energy: -56.578 tors. eta vs tors. theta energy: -121.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1502.965479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.965479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.965479 (E_RNA) where: Base-Base interactions energy: -1063.460 where: short stacking energy: -418.555 Base-Backbone interact. energy: -0.551 local terms energy: -438.954610 where: bonds (distance) C4'-P energy: -75.436 bonds (distance) P-C4' energy: -87.125 flat angles C4'-P-C4' energy: -95.681 flat angles P-C4'-P energy: -66.898 tors. eta vs tors. theta energy: -113.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1394.690927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.690927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.690927 (E_RNA) where: Base-Base interactions energy: -971.972 where: short stacking energy: -439.314 Base-Backbone interact. energy: -1.820 local terms energy: -420.898608 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -85.627 flat angles C4'-P-C4' energy: -89.430 flat angles P-C4'-P energy: -52.690 tors. eta vs tors. theta energy: -115.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1353.523714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.523714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.523714 (E_RNA) where: Base-Base interactions energy: -931.537 where: short stacking energy: -399.918 Base-Backbone interact. energy: -2.053 local terms energy: -419.934480 where: bonds (distance) C4'-P energy: -74.424 bonds (distance) P-C4' energy: -87.671 flat angles C4'-P-C4' energy: -84.922 flat angles P-C4'-P energy: -59.486 tors. eta vs tors. theta energy: -113.431 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: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1285.947984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.947984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.947984 (E_RNA) where: Base-Base interactions energy: -871.743 where: short stacking energy: -397.910 Base-Backbone interact. energy: -0.696 local terms energy: -413.508316 where: bonds (distance) C4'-P energy: -65.086 bonds (distance) P-C4' energy: -84.987 flat angles C4'-P-C4' energy: -92.733 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: -113.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1239.733696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.733696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.733696 (E_RNA) where: Base-Base interactions energy: -832.010 where: short stacking energy: -356.903 Base-Backbone interact. energy: -1.069 local terms energy: -406.654679 where: bonds (distance) C4'-P energy: -77.369 bonds (distance) P-C4' energy: -84.117 flat angles C4'-P-C4' energy: -84.662 flat angles P-C4'-P energy: -60.822 tors. eta vs tors. theta energy: -99.684 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: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1127.776402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.776402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.776402 (E_RNA) where: Base-Base interactions energy: -759.879 where: short stacking energy: -338.458 Base-Backbone interact. energy: -1.728 local terms energy: -366.169541 where: bonds (distance) C4'-P energy: -73.565 bonds (distance) P-C4' energy: -86.936 flat angles C4'-P-C4' energy: -73.549 flat angles P-C4'-P energy: -48.540 tors. eta vs tors. theta energy: -83.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -899.032561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.032561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.032561 (E_RNA) where: Base-Base interactions energy: -604.863 where: short stacking energy: -270.576 Base-Backbone interact. energy: -0.544 local terms energy: -293.625165 where: bonds (distance) C4'-P energy: -62.677 bonds (distance) P-C4' energy: -79.590 flat angles C4'-P-C4' energy: -66.345 flat angles P-C4'-P energy: -35.813 tors. eta vs tors. theta energy: -49.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -673.909454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.909454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.909454 (E_RNA) where: Base-Base interactions energy: -411.886 where: short stacking energy: -200.618 Base-Backbone interact. energy: -1.232 local terms energy: -260.791269 where: bonds (distance) C4'-P energy: -59.151 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -59.230 flat angles P-C4'-P energy: -40.875 tors. eta vs tors. theta energy: -28.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -686.609823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.609823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.609823 (E_RNA) where: Base-Base interactions energy: -408.743 where: short stacking energy: -190.648 Base-Backbone interact. energy: -1.836 local terms energy: -276.030362 where: bonds (distance) C4'-P energy: -68.697 bonds (distance) P-C4' energy: -66.161 flat angles C4'-P-C4' energy: -69.805 flat angles P-C4'-P energy: -43.848 tors. eta vs tors. theta energy: -27.520 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: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1548.145728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.145728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.145728 (E_RNA) where: Base-Base interactions energy: -1111.524 where: short stacking energy: -436.823 Base-Backbone interact. energy: -0.844 local terms energy: -435.777009 where: bonds (distance) C4'-P energy: -78.300 bonds (distance) P-C4' energy: -78.504 flat angles C4'-P-C4' energy: -97.781 flat angles P-C4'-P energy: -63.268 tors. eta vs tors. theta energy: -117.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1510.748463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.748463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.748463 (E_RNA) where: Base-Base interactions energy: -1081.645 where: short stacking energy: -450.011 Base-Backbone interact. energy: -2.460 local terms energy: -426.644345 where: bonds (distance) C4'-P energy: -83.247 bonds (distance) P-C4' energy: -76.629 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -62.282 tors. eta vs tors. theta energy: -116.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1381.162392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.162392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.162392 (E_RNA) where: Base-Base interactions energy: -969.768 where: short stacking energy: -428.825 Base-Backbone interact. energy: 3.229 local terms energy: -414.623812 where: bonds (distance) C4'-P energy: -67.328 bonds (distance) P-C4' energy: -74.643 flat angles C4'-P-C4' energy: -91.391 flat angles P-C4'-P energy: -59.611 tors. eta vs tors. theta energy: -121.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1335.090355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.090355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.090355 (E_RNA) where: Base-Base interactions energy: -925.657 where: short stacking energy: -400.425 Base-Backbone interact. energy: -0.362 local terms energy: -409.071370 where: bonds (distance) C4'-P energy: -68.791 bonds (distance) P-C4' energy: -76.991 flat angles C4'-P-C4' energy: -88.748 flat angles P-C4'-P energy: -60.328 tors. eta vs tors. theta energy: -114.215 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: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1308.181166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.181166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.181166 (E_RNA) where: Base-Base interactions energy: -912.781 where: short stacking energy: -423.353 Base-Backbone interact. energy: -0.895 local terms energy: -394.505864 where: bonds (distance) C4'-P energy: -65.590 bonds (distance) P-C4' energy: -75.180 flat angles C4'-P-C4' energy: -83.419 flat angles P-C4'-P energy: -56.305 tors. eta vs tors. theta energy: -114.012 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: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1240.151421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.151421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.151421 (E_RNA) where: Base-Base interactions energy: -869.162 where: short stacking energy: -373.901 Base-Backbone interact. energy: 1.609 local terms energy: -372.598095 where: bonds (distance) C4'-P energy: -67.659 bonds (distance) P-C4' energy: -67.020 flat angles C4'-P-C4' energy: -79.846 flat angles P-C4'-P energy: -59.873 tors. eta vs tors. theta energy: -98.200 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: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1122.221525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.221525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.221525 (E_RNA) where: Base-Base interactions energy: -761.189 where: short stacking energy: -334.099 Base-Backbone interact. energy: 0.542 local terms energy: -361.574883 where: bonds (distance) C4'-P energy: -62.753 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -82.563 flat angles P-C4'-P energy: -57.393 tors. eta vs tors. theta energy: -94.827 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: 456 Temperature: 1.250000 Total energy: -940.147018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.147018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.147018 (E_RNA) where: Base-Base interactions energy: -612.254 where: short stacking energy: -284.582 Base-Backbone interact. energy: 0.138 local terms energy: -328.031410 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -81.653 flat angles C4'-P-C4' energy: -66.976 flat angles P-C4'-P energy: -55.703 tors. eta vs tors. theta energy: -58.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -749.771011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.771011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.771011 (E_RNA) where: Base-Base interactions energy: -456.375 where: short stacking energy: -205.742 Base-Backbone interact. energy: -1.620 local terms energy: -292.130989 where: bonds (distance) C4'-P energy: -68.643 bonds (distance) P-C4' energy: -70.502 flat angles C4'-P-C4' energy: -67.167 flat angles P-C4'-P energy: -55.210 tors. eta vs tors. theta energy: -30.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.355 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -569.724020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.724020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.724020 (E_RNA) where: Base-Base interactions energy: -301.089 where: short stacking energy: -154.674 Base-Backbone interact. energy: 0.340 local terms energy: -268.975197 where: bonds (distance) C4'-P energy: -65.929 bonds (distance) P-C4' energy: -77.195 flat angles C4'-P-C4' energy: -60.815 flat angles P-C4'-P energy: -51.970 tors. eta vs tors. theta energy: -13.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1556.472148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.472148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.472148 (E_RNA) where: Base-Base interactions energy: -1113.205 where: short stacking energy: -423.232 Base-Backbone interact. energy: -3.286 local terms energy: -439.981128 where: bonds (distance) C4'-P energy: -89.005 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -90.057 flat angles P-C4'-P energy: -56.843 tors. eta vs tors. theta energy: -122.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1481.494414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.494414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.494414 (E_RNA) where: Base-Base interactions energy: -1064.489 where: short stacking energy: -433.494 Base-Backbone interact. energy: -3.074 local terms energy: -413.931563 where: bonds (distance) C4'-P energy: -68.853 bonds (distance) P-C4' energy: -81.881 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -109.283 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: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1395.726526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.726526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.726526 (E_RNA) where: Base-Base interactions energy: -968.029 where: short stacking energy: -405.267 Base-Backbone interact. energy: -0.861 local terms energy: -426.835906 where: bonds (distance) C4'-P energy: -79.533 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -87.333 flat angles P-C4'-P energy: -58.323 tors. eta vs tors. theta energy: -117.623 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: 3 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1334.174373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.174373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.174373 (E_RNA) where: Base-Base interactions energy: -907.386 where: short stacking energy: -401.209 Base-Backbone interact. energy: -0.202 local terms energy: -426.586023 where: bonds (distance) C4'-P energy: -80.037 bonds (distance) P-C4' energy: -80.464 flat angles C4'-P-C4' energy: -90.021 flat angles P-C4'-P energy: -62.614 tors. eta vs tors. theta energy: -113.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1297.891619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.891619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.891619 (E_RNA) where: Base-Base interactions energy: -910.695 where: short stacking energy: -386.723 Base-Backbone interact. energy: -2.467 local terms energy: -384.729400 where: bonds (distance) C4'-P energy: -69.768 bonds (distance) P-C4' energy: -68.556 flat angles C4'-P-C4' energy: -87.811 flat angles P-C4'-P energy: -55.678 tors. eta vs tors. theta energy: -102.916 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: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1200.972076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.972076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.972076 (E_RNA) where: Base-Base interactions energy: -830.309 where: short stacking energy: -356.896 Base-Backbone interact. energy: -2.236 local terms energy: -368.426318 where: bonds (distance) C4'-P energy: -63.593 bonds (distance) P-C4' energy: -76.886 flat angles C4'-P-C4' energy: -89.343 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: -87.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1165.982145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.982145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.982145 (E_RNA) where: Base-Base interactions energy: -797.403 where: short stacking energy: -371.574 Base-Backbone interact. energy: -1.884 local terms energy: -366.694886 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -78.093 flat angles C4'-P-C4' energy: -78.226 flat angles P-C4'-P energy: -44.909 tors. eta vs tors. theta energy: -102.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -918.737250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.737250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.737250 (E_RNA) where: Base-Base interactions energy: -616.924 where: short stacking energy: -270.601 Base-Backbone interact. energy: -0.087 local terms energy: -301.726480 where: bonds (distance) C4'-P energy: -76.378 bonds (distance) P-C4' energy: -63.860 flat angles C4'-P-C4' energy: -74.676 flat angles P-C4'-P energy: -43.952 tors. eta vs tors. theta energy: -42.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -740.424752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.424752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.424752 (E_RNA) where: Base-Base interactions energy: -477.022 where: short stacking energy: -240.133 Base-Backbone interact. energy: 1.421 local terms energy: -264.824036 where: bonds (distance) C4'-P energy: -58.881 bonds (distance) P-C4' energy: -79.110 flat angles C4'-P-C4' energy: -62.779 flat angles P-C4'-P energy: -19.411 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: 10, replica: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -524.201296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.201296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.201296 (E_RNA) where: Base-Base interactions energy: -286.268 where: short stacking energy: -157.027 Base-Backbone interact. energy: -0.143 local terms energy: -237.790073 where: bonds (distance) C4'-P energy: -58.885 bonds (distance) P-C4' energy: -65.564 flat angles C4'-P-C4' energy: -78.329 flat angles P-C4'-P energy: -26.486 tors. eta vs tors. theta energy: -8.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1564.638402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.638402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.638402 (E_RNA) where: Base-Base interactions energy: -1125.482 where: short stacking energy: -433.821 Base-Backbone interact. energy: -1.095 local terms energy: -438.060538 where: bonds (distance) C4'-P energy: -78.031 bonds (distance) P-C4' energy: -82.198 flat angles C4'-P-C4' energy: -97.338 flat angles P-C4'-P energy: -59.654 tors. eta vs tors. theta energy: -120.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1484.224961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.224961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.224961 (E_RNA) where: Base-Base interactions energy: -1041.500 where: short stacking energy: -410.501 Base-Backbone interact. energy: -4.536 local terms energy: -438.189341 where: bonds (distance) C4'-P energy: -81.455 bonds (distance) P-C4' energy: -86.155 flat angles C4'-P-C4' energy: -100.132 flat angles P-C4'-P energy: -58.477 tors. eta vs tors. theta energy: -111.971 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: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1390.301284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.301284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.301284 (E_RNA) where: Base-Base interactions energy: -960.839 where: short stacking energy: -413.696 Base-Backbone interact. energy: -0.546 local terms energy: -428.915776 where: bonds (distance) C4'-P energy: -79.144 bonds (distance) P-C4' energy: -83.888 flat angles C4'-P-C4' energy: -85.679 flat angles P-C4'-P energy: -61.215 tors. eta vs tors. theta energy: -118.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1365.042052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.042052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.042052 (E_RNA) where: Base-Base interactions energy: -944.406 where: short stacking energy: -413.823 Base-Backbone interact. energy: -1.565 local terms energy: -419.071178 where: bonds (distance) C4'-P energy: -71.350 bonds (distance) P-C4' energy: -74.797 flat angles C4'-P-C4' energy: -90.654 flat angles P-C4'-P energy: -69.916 tors. eta vs tors. theta energy: -112.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1296.267137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.267137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.267137 (E_RNA) where: Base-Base interactions energy: -904.731 where: short stacking energy: -382.201 Base-Backbone interact. energy: -0.771 local terms energy: -390.765326 where: bonds (distance) C4'-P energy: -66.045 bonds (distance) P-C4' energy: -58.372 flat angles C4'-P-C4' energy: -91.997 flat angles P-C4'-P energy: -63.695 tors. eta vs tors. theta energy: -110.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1215.334482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.334482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.334482 (E_RNA) where: Base-Base interactions energy: -828.326 where: short stacking energy: -362.619 Base-Backbone interact. energy: -2.867 local terms energy: -384.141619 where: bonds (distance) C4'-P energy: -77.443 bonds (distance) P-C4' energy: -72.670 flat angles C4'-P-C4' energy: -87.075 flat angles P-C4'-P energy: -59.239 tors. eta vs tors. theta energy: -87.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1180.459719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.459719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.459719 (E_RNA) where: Base-Base interactions energy: -812.050 where: short stacking energy: -374.949 Base-Backbone interact. energy: 1.824 local terms energy: -370.233897 where: bonds (distance) C4'-P energy: -59.835 bonds (distance) P-C4' energy: -65.331 flat angles C4'-P-C4' energy: -86.422 flat angles P-C4'-P energy: -61.288 tors. eta vs tors. theta energy: -97.358 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: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -911.877419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.877419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.877419 (E_RNA) where: Base-Base interactions energy: -591.230 where: short stacking energy: -250.144 Base-Backbone interact. energy: -1.540 local terms energy: -319.108122 where: bonds (distance) C4'-P energy: -69.474 bonds (distance) P-C4' energy: -73.454 flat angles C4'-P-C4' energy: -74.775 flat angles P-C4'-P energy: -46.087 tors. eta vs tors. theta energy: -55.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -683.347977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.347977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.347977 (E_RNA) where: Base-Base interactions energy: -396.294 where: short stacking energy: -189.215 Base-Backbone interact. energy: -0.169 local terms energy: -286.885035 where: bonds (distance) C4'-P energy: -73.844 bonds (distance) P-C4' energy: -70.837 flat angles C4'-P-C4' energy: -68.429 flat angles P-C4'-P energy: -38.479 tors. eta vs tors. theta energy: -35.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -539.898922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.898922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.898922 (E_RNA) where: Base-Base interactions energy: -265.823 where: short stacking energy: -145.261 Base-Backbone interact. energy: 0.956 local terms energy: -275.032104 where: bonds (distance) C4'-P energy: -67.130 bonds (distance) P-C4' energy: -71.307 flat angles C4'-P-C4' energy: -69.500 flat angles P-C4'-P energy: -45.063 tors. eta vs tors. theta energy: -22.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1541.813145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.813145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.813145 (E_RNA) where: Base-Base interactions energy: -1109.153 where: short stacking energy: -399.477 Base-Backbone interact. energy: -1.279 local terms energy: -431.380980 where: bonds (distance) C4'-P energy: -76.259 bonds (distance) P-C4' energy: -88.646 flat angles C4'-P-C4' energy: -94.129 flat angles P-C4'-P energy: -65.632 tors. eta vs tors. theta energy: -106.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1470.184849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.184849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.184849 (E_RNA) where: Base-Base interactions energy: -1043.741 where: short stacking energy: -419.435 Base-Backbone interact. energy: -2.050 local terms energy: -424.393817 where: bonds (distance) C4'-P energy: -86.845 bonds (distance) P-C4' energy: -80.714 flat angles C4'-P-C4' energy: -87.939 flat angles P-C4'-P energy: -52.271 tors. eta vs tors. theta energy: -116.624 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: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1427.562498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.562498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.562498 (E_RNA) where: Base-Base interactions energy: -976.808 where: short stacking energy: -429.736 Base-Backbone interact. energy: -4.293 local terms energy: -446.461547 where: bonds (distance) C4'-P energy: -86.300 bonds (distance) P-C4' energy: -84.825 flat angles C4'-P-C4' energy: -92.009 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -120.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1362.429230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.429230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.429230 (E_RNA) where: Base-Base interactions energy: -966.329 where: short stacking energy: -417.730 Base-Backbone interact. energy: -2.047 local terms energy: -394.052654 where: bonds (distance) C4'-P energy: -69.942 bonds (distance) P-C4' energy: -65.157 flat angles C4'-P-C4' energy: -89.415 flat angles P-C4'-P energy: -57.449 tors. eta vs tors. theta energy: -112.090 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: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1321.216024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.216024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.216024 (E_RNA) where: Base-Base interactions energy: -913.053 where: short stacking energy: -393.301 Base-Backbone interact. energy: -1.838 local terms energy: -406.325179 where: bonds (distance) C4'-P energy: -78.624 bonds (distance) P-C4' energy: -85.138 flat angles C4'-P-C4' energy: -83.707 flat angles P-C4'-P energy: -57.636 tors. eta vs tors. theta energy: -101.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1262.095743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.095743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.095743 (E_RNA) where: Base-Base interactions energy: -867.246 where: short stacking energy: -373.136 Base-Backbone interact. energy: -0.229 local terms energy: -395.782191 where: bonds (distance) C4'-P energy: -79.383 bonds (distance) P-C4' energy: -75.916 flat angles C4'-P-C4' energy: -92.364 flat angles P-C4'-P energy: -46.640 tors. eta vs tors. theta energy: -101.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.161 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1168.048325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.048325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.048325 (E_RNA) where: Base-Base interactions energy: -791.553 where: short stacking energy: -338.159 Base-Backbone interact. energy: -2.148 local terms energy: -374.347490 where: bonds (distance) C4'-P energy: -65.512 bonds (distance) P-C4' energy: -78.966 flat angles C4'-P-C4' energy: -86.473 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -95.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -972.081168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.081168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.081168 (E_RNA) where: Base-Base interactions energy: -664.094 where: short stacking energy: -296.675 Base-Backbone interact. energy: 3.486 local terms energy: -311.472525 where: bonds (distance) C4'-P energy: -63.408 bonds (distance) P-C4' energy: -67.860 flat angles C4'-P-C4' energy: -70.182 flat angles P-C4'-P energy: -53.917 tors. eta vs tors. theta energy: -56.107 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: 459 Temperature: 1.300000 Total energy: -685.043914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.043914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.043914 (E_RNA) where: Base-Base interactions energy: -403.401 where: short stacking energy: -200.478 Base-Backbone interact. energy: -1.967 local terms energy: -279.676411 where: bonds (distance) C4'-P energy: -61.577 bonds (distance) P-C4' energy: -77.112 flat angles C4'-P-C4' energy: -61.971 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -31.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -535.478966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.478966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.478966 (E_RNA) where: Base-Base interactions energy: -265.268 where: short stacking energy: -140.550 Base-Backbone interact. energy: -0.399 local terms energy: -269.812695 where: bonds (distance) C4'-P energy: -81.880 bonds (distance) P-C4' energy: -73.497 flat angles C4'-P-C4' energy: -66.136 flat angles P-C4'-P energy: -32.778 tors. eta vs tors. theta energy: -15.520 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: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1559.997662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.997662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.997662 (E_RNA) where: Base-Base interactions energy: -1118.208 where: short stacking energy: -439.429 Base-Backbone interact. energy: -2.266 local terms energy: -439.524248 where: bonds (distance) C4'-P energy: -78.476 bonds (distance) P-C4' energy: -86.908 flat angles C4'-P-C4' energy: -94.980 flat angles P-C4'-P energy: -53.475 tors. eta vs tors. theta energy: -125.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1459.493070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.493070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.493070 (E_RNA) where: Base-Base interactions energy: -1010.462 where: short stacking energy: -418.326 Base-Backbone interact. energy: -1.497 local terms energy: -447.534138 where: bonds (distance) C4'-P energy: -85.684 bonds (distance) P-C4' energy: -82.652 flat angles C4'-P-C4' energy: -96.011 flat angles P-C4'-P energy: -72.511 tors. eta vs tors. theta energy: -110.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1394.029647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.029647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.029647 (E_RNA) where: Base-Base interactions energy: -953.592 where: short stacking energy: -410.444 Base-Backbone interact. energy: -1.999 local terms energy: -438.438027 where: bonds (distance) C4'-P energy: -87.232 bonds (distance) P-C4' energy: -87.470 flat angles C4'-P-C4' energy: -94.988 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: -113.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1353.904749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.904749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.904749 (E_RNA) where: Base-Base interactions energy: -960.221 where: short stacking energy: -405.398 Base-Backbone interact. energy: -1.226 local terms energy: -392.457901 where: bonds (distance) C4'-P energy: -70.420 bonds (distance) P-C4' energy: -76.364 flat angles C4'-P-C4' energy: -81.211 flat angles P-C4'-P energy: -58.643 tors. eta vs tors. theta energy: -105.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1320.367342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.367342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.367342 (E_RNA) where: Base-Base interactions energy: -922.841 where: short stacking energy: -393.610 Base-Backbone interact. energy: -3.117 local terms energy: -394.409998 where: bonds (distance) C4'-P energy: -70.527 bonds (distance) P-C4' energy: -74.849 flat angles C4'-P-C4' energy: -91.437 flat angles P-C4'-P energy: -54.953 tors. eta vs tors. theta energy: -102.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1251.776570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.776570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.776570 (E_RNA) where: Base-Base interactions energy: -870.897 where: short stacking energy: -368.863 Base-Backbone interact. energy: -2.406 local terms energy: -378.473602 where: bonds (distance) C4'-P energy: -74.890 bonds (distance) P-C4' energy: -67.471 flat angles C4'-P-C4' energy: -88.227 flat angles P-C4'-P energy: -51.946 tors. eta vs tors. theta energy: -95.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1140.671890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.671890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.671890 (E_RNA) where: Base-Base interactions energy: -779.635 where: short stacking energy: -358.595 Base-Backbone interact. energy: 0.530 local terms energy: -361.566396 where: bonds (distance) C4'-P energy: -67.076 bonds (distance) P-C4' energy: -81.702 flat angles C4'-P-C4' energy: -68.922 flat angles P-C4'-P energy: -55.617 tors. eta vs tors. theta energy: -88.250 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: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -890.976749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.976749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.976749 (E_RNA) where: Base-Base interactions energy: -571.094 where: short stacking energy: -237.752 Base-Backbone interact. energy: 1.159 local terms energy: -322.074564 where: bonds (distance) C4'-P energy: -65.030 bonds (distance) P-C4' energy: -78.938 flat angles C4'-P-C4' energy: -77.471 flat angles P-C4'-P energy: -55.850 tors. eta vs tors. theta energy: -44.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.033 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -682.508114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.508114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.508114 (E_RNA) where: Base-Base interactions energy: -413.271 where: short stacking energy: -220.272 Base-Backbone interact. energy: -1.174 local terms energy: -268.062746 where: bonds (distance) C4'-P energy: -56.777 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -75.405 flat angles P-C4'-P energy: -36.380 tors. eta vs tors. theta energy: -37.338 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: 2 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -586.733413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.733413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.733413 (E_RNA) where: Base-Base interactions energy: -330.633 where: short stacking energy: -174.892 Base-Backbone interact. energy: 0.315 local terms energy: -256.415368 where: bonds (distance) C4'-P energy: -75.573 bonds (distance) P-C4' energy: -68.763 flat angles C4'-P-C4' energy: -63.755 flat angles P-C4'-P energy: -31.457 tors. eta vs tors. theta energy: -16.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1523.278421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.278421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.278421 (E_RNA) where: Base-Base interactions energy: -1087.978 where: short stacking energy: -426.681 Base-Backbone interact. energy: -2.908 local terms energy: -432.392481 where: bonds (distance) C4'-P energy: -79.508 bonds (distance) P-C4' energy: -86.282 flat angles C4'-P-C4' energy: -85.961 flat angles P-C4'-P energy: -54.803 tors. eta vs tors. theta energy: -125.838 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: 2, replica: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1462.613568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.613568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.613568 (E_RNA) where: Base-Base interactions energy: -1036.117 where: short stacking energy: -433.800 Base-Backbone interact. energy: -2.089 local terms energy: -424.407198 where: bonds (distance) C4'-P energy: -80.596 bonds (distance) P-C4' energy: -71.568 flat angles C4'-P-C4' energy: -90.567 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: -117.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1399.465428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.465428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.465428 (E_RNA) where: Base-Base interactions energy: -977.549 where: short stacking energy: -426.289 Base-Backbone interact. energy: -0.552 local terms energy: -421.364366 where: bonds (distance) C4'-P energy: -81.428 bonds (distance) P-C4' energy: -78.220 flat angles C4'-P-C4' energy: -92.057 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: -112.810 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: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1327.062936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.062936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.062936 (E_RNA) where: Base-Base interactions energy: -929.890 where: short stacking energy: -407.175 Base-Backbone interact. energy: -1.156 local terms energy: -396.017261 where: bonds (distance) C4'-P energy: -67.320 bonds (distance) P-C4' energy: -78.678 flat angles C4'-P-C4' energy: -89.548 flat angles P-C4'-P energy: -52.173 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: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1283.843365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.843365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.843365 (E_RNA) where: Base-Base interactions energy: -895.229 where: short stacking energy: -387.519 Base-Backbone interact. energy: 0.501 local terms energy: -389.115929 where: bonds (distance) C4'-P energy: -70.419 bonds (distance) P-C4' energy: -85.297 flat angles C4'-P-C4' energy: -83.704 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: -101.724 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: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1233.680508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.680508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.680508 (E_RNA) where: Base-Base interactions energy: -858.354 where: short stacking energy: -391.027 Base-Backbone interact. energy: 0.805 local terms energy: -376.131352 where: bonds (distance) C4'-P energy: -72.112 bonds (distance) P-C4' energy: -75.541 flat angles C4'-P-C4' energy: -76.248 flat angles P-C4'-P energy: -53.207 tors. eta vs tors. theta energy: -99.023 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: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1169.362709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.362709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.362709 (E_RNA) where: Base-Base interactions energy: -809.908 where: short stacking energy: -361.362 Base-Backbone interact. energy: -1.482 local terms energy: -357.972158 where: bonds (distance) C4'-P energy: -67.840 bonds (distance) P-C4' energy: -76.510 flat angles C4'-P-C4' energy: -69.784 flat angles P-C4'-P energy: -49.827 tors. eta vs tors. theta energy: -94.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -912.909963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.909963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.909963 (E_RNA) where: Base-Base interactions energy: -599.456 where: short stacking energy: -269.907 Base-Backbone interact. energy: -0.784 local terms energy: -312.669464 where: bonds (distance) C4'-P energy: -67.212 bonds (distance) P-C4' energy: -72.130 flat angles C4'-P-C4' energy: -71.373 flat angles P-C4'-P energy: -44.589 tors. eta vs tors. theta energy: -57.367 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: 461 Temperature: 1.300000 Total energy: -605.824488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.824488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.824488 (E_RNA) where: Base-Base interactions energy: -329.035 where: short stacking energy: -167.641 Base-Backbone interact. energy: 2.097 local terms energy: -278.886808 where: bonds (distance) C4'-P energy: -65.127 bonds (distance) P-C4' energy: -67.638 flat angles C4'-P-C4' energy: -76.992 flat angles P-C4'-P energy: -44.454 tors. eta vs tors. theta energy: -24.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -612.132859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.132859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.132859 (E_RNA) where: Base-Base interactions energy: -352.438 where: short stacking energy: -187.933 Base-Backbone interact. energy: -1.089 local terms energy: -258.605323 where: bonds (distance) C4'-P energy: -57.301 bonds (distance) P-C4' energy: -79.296 flat angles C4'-P-C4' energy: -59.189 flat angles P-C4'-P energy: -43.628 tors. eta vs tors. theta energy: -19.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1540.892385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.892385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.892385 (E_RNA) where: Base-Base interactions energy: -1098.574 where: short stacking energy: -432.133 Base-Backbone interact. energy: 0.928 local terms energy: -443.246073 where: bonds (distance) C4'-P energy: -87.481 bonds (distance) P-C4' energy: -90.671 flat angles C4'-P-C4' energy: -93.947 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -117.148 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: 2, replica: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1455.594297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.594297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.594297 (E_RNA) where: Base-Base interactions energy: -1024.350 where: short stacking energy: -421.468 Base-Backbone interact. energy: -0.770 local terms energy: -430.474833 where: bonds (distance) C4'-P energy: -83.238 bonds (distance) P-C4' energy: -84.901 flat angles C4'-P-C4' energy: -92.781 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -106.712 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: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1374.331284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.331284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.331284 (E_RNA) where: Base-Base interactions energy: -954.735 where: short stacking energy: -417.382 Base-Backbone interact. energy: 0.236 local terms energy: -419.831457 where: bonds (distance) C4'-P energy: -72.762 bonds (distance) P-C4' energy: -77.192 flat angles C4'-P-C4' energy: -94.671 flat angles P-C4'-P energy: -55.440 tors. eta vs tors. theta energy: -119.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1352.557791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.557791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.557791 (E_RNA) where: Base-Base interactions energy: -929.434 where: short stacking energy: -415.563 Base-Backbone interact. energy: 0.749 local terms energy: -423.872336 where: bonds (distance) C4'-P energy: -85.528 bonds (distance) P-C4' energy: -78.702 flat angles C4'-P-C4' energy: -93.281 flat angles P-C4'-P energy: -61.320 tors. eta vs tors. theta energy: -105.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1307.991125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.991125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.991125 (E_RNA) where: Base-Base interactions energy: -910.428 where: short stacking energy: -383.119 Base-Backbone interact. energy: -3.194 local terms energy: -394.368534 where: bonds (distance) C4'-P energy: -80.388 bonds (distance) P-C4' energy: -68.100 flat angles C4'-P-C4' energy: -87.126 flat angles P-C4'-P energy: -54.970 tors. eta vs tors. theta energy: -103.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1254.768719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.768719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.768719 (E_RNA) where: Base-Base interactions energy: -887.298 where: short stacking energy: -354.103 Base-Backbone interact. energy: -0.255 local terms energy: -367.215721 where: bonds (distance) C4'-P energy: -69.463 bonds (distance) P-C4' energy: -77.774 flat angles C4'-P-C4' energy: -79.338 flat angles P-C4'-P energy: -58.939 tors. eta vs tors. theta energy: -81.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1155.207271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.207271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.207271 (E_RNA) where: Base-Base interactions energy: -790.806 where: short stacking energy: -375.973 Base-Backbone interact. energy: -1.237 local terms energy: -363.163564 where: bonds (distance) C4'-P energy: -65.830 bonds (distance) P-C4' energy: -62.866 flat angles C4'-P-C4' energy: -76.784 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -108.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -935.293659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.293659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.293659 (E_RNA) where: Base-Base interactions energy: -622.694 where: short stacking energy: -280.944 Base-Backbone interact. energy: -2.666 local terms energy: -309.933459 where: bonds (distance) C4'-P energy: -63.801 bonds (distance) P-C4' energy: -74.701 flat angles C4'-P-C4' energy: -69.248 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -57.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -664.912844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.912844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.912844 (E_RNA) where: Base-Base interactions energy: -425.099 where: short stacking energy: -189.598 Base-Backbone interact. energy: -1.848 local terms energy: -237.965518 where: bonds (distance) C4'-P energy: -65.311 bonds (distance) P-C4' energy: -69.727 flat angles C4'-P-C4' energy: -71.175 flat angles P-C4'-P energy: -14.617 tors. eta vs tors. theta energy: -17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -613.141176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.141176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.141176 (E_RNA) where: Base-Base interactions energy: -359.047 where: short stacking energy: -193.446 Base-Backbone interact. energy: 1.229 local terms energy: -255.323490 where: bonds (distance) C4'-P energy: -67.628 bonds (distance) P-C4' energy: -83.597 flat angles C4'-P-C4' energy: -61.874 flat angles P-C4'-P energy: -31.059 tors. eta vs tors. theta energy: -11.166 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: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1534.963229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.963229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.963229 (E_RNA) where: Base-Base interactions energy: -1101.227 where: short stacking energy: -434.249 Base-Backbone interact. energy: -1.665 local terms energy: -432.070773 where: bonds (distance) C4'-P energy: -85.173 bonds (distance) P-C4' energy: -73.103 flat angles C4'-P-C4' energy: -101.394 flat angles P-C4'-P energy: -55.621 tors. eta vs tors. theta energy: -116.780 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: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1464.706441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.706441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.706441 (E_RNA) where: Base-Base interactions energy: -1033.810 where: short stacking energy: -417.427 Base-Backbone interact. energy: -1.930 local terms energy: -428.966312 where: bonds (distance) C4'-P energy: -87.228 bonds (distance) P-C4' energy: -82.752 flat angles C4'-P-C4' energy: -95.236 flat angles P-C4'-P energy: -52.526 tors. eta vs tors. theta energy: -111.223 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: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1394.645828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.645828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.645828 (E_RNA) where: Base-Base interactions energy: -976.303 where: short stacking energy: -439.611 Base-Backbone interact. energy: 1.429 local terms energy: -420.486610 where: bonds (distance) C4'-P energy: -64.456 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -95.271 flat angles P-C4'-P energy: -59.797 tors. eta vs tors. theta energy: -121.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.715 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1303.292222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.292222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.292222 (E_RNA) where: Base-Base interactions energy: -905.138 where: short stacking energy: -364.041 Base-Backbone interact. energy: 0.707 local terms energy: -398.861121 where: bonds (distance) C4'-P energy: -82.614 bonds (distance) P-C4' energy: -72.920 flat angles C4'-P-C4' energy: -88.426 flat angles P-C4'-P energy: -60.381 tors. eta vs tors. theta energy: -94.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1315.644468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.644468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.644468 (E_RNA) where: Base-Base interactions energy: -909.628 where: short stacking energy: -389.917 Base-Backbone interact. energy: 0.675 local terms energy: -406.691105 where: bonds (distance) C4'-P energy: -67.020 bonds (distance) P-C4' energy: -87.781 flat angles C4'-P-C4' energy: -86.969 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -112.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1281.290730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.290730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.290730 (E_RNA) where: Base-Base interactions energy: -876.353 where: short stacking energy: -372.111 Base-Backbone interact. energy: -1.893 local terms energy: -403.044550 where: bonds (distance) C4'-P energy: -77.810 bonds (distance) P-C4' energy: -73.090 flat angles C4'-P-C4' energy: -88.646 flat angles P-C4'-P energy: -67.907 tors. eta vs tors. theta energy: -95.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1170.995743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.995743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.995743 (E_RNA) where: Base-Base interactions energy: -801.366 where: short stacking energy: -340.800 Base-Backbone interact. energy: -0.225 local terms energy: -369.404985 where: bonds (distance) C4'-P energy: -62.749 bonds (distance) P-C4' energy: -80.761 flat angles C4'-P-C4' energy: -83.019 flat angles P-C4'-P energy: -52.275 tors. eta vs tors. theta energy: -90.601 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: 463 Temperature: 1.250000 Total energy: -955.161142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.161142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.161142 (E_RNA) where: Base-Base interactions energy: -639.565 where: short stacking energy: -291.861 Base-Backbone interact. energy: -0.979 local terms energy: -314.616682 where: bonds (distance) C4'-P energy: -50.531 bonds (distance) P-C4' energy: -71.948 flat angles C4'-P-C4' energy: -85.144 flat angles P-C4'-P energy: -40.979 tors. eta vs tors. theta energy: -66.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -638.913310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.913310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.913310 (E_RNA) where: Base-Base interactions energy: -369.760 where: short stacking energy: -181.501 Base-Backbone interact. energy: -1.248 local terms energy: -267.905515 where: bonds (distance) C4'-P energy: -63.927 bonds (distance) P-C4' energy: -86.957 flat angles C4'-P-C4' energy: -61.101 flat angles P-C4'-P energy: -55.736 tors. eta vs tors. theta energy: -0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -549.939450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.939450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.939450 (E_RNA) where: Base-Base interactions energy: -301.564 where: short stacking energy: -167.352 Base-Backbone interact. energy: -0.029 local terms energy: -248.346543 where: bonds (distance) C4'-P energy: -60.740 bonds (distance) P-C4' energy: -72.911 flat angles C4'-P-C4' energy: -59.368 flat angles P-C4'-P energy: -42.174 tors. eta vs tors. theta energy: -13.153 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: 1, replica: 7 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1548.239039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.239039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.239039 (E_RNA) where: Base-Base interactions energy: -1102.960 where: short stacking energy: -435.658 Base-Backbone interact. energy: -1.414 local terms energy: -443.865169 where: bonds (distance) C4'-P energy: -83.291 bonds (distance) P-C4' energy: -81.761 flat angles C4'-P-C4' energy: -98.375 flat angles P-C4'-P energy: -62.950 tors. eta vs tors. theta energy: -117.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1477.628563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.628563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.628563 (E_RNA) where: Base-Base interactions energy: -1022.852 where: short stacking energy: -420.931 Base-Backbone interact. energy: -2.597 local terms energy: -452.179823 where: bonds (distance) C4'-P energy: -84.717 bonds (distance) P-C4' energy: -94.236 flat angles C4'-P-C4' energy: -91.497 flat angles P-C4'-P energy: -67.226 tors. eta vs tors. theta energy: -114.504 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: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1397.431854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.431854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.431854 (E_RNA) where: Base-Base interactions energy: -954.743 where: short stacking energy: -415.922 Base-Backbone interact. energy: 0.254 local terms energy: -442.942528 where: bonds (distance) C4'-P energy: -76.842 bonds (distance) P-C4' energy: -82.095 flat angles C4'-P-C4' energy: -95.960 flat angles P-C4'-P energy: -66.558 tors. eta vs tors. theta energy: -121.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1329.734593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.734593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.734593 (E_RNA) where: Base-Base interactions energy: -908.750 where: short stacking energy: -389.450 Base-Backbone interact. energy: -0.948 local terms energy: -420.036957 where: bonds (distance) C4'-P energy: -70.843 bonds (distance) P-C4' energy: -84.873 flat angles C4'-P-C4' energy: -92.520 flat angles P-C4'-P energy: -63.364 tors. eta vs tors. theta energy: -108.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1335.903948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.903948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.903948 (E_RNA) where: Base-Base interactions energy: -916.958 where: short stacking energy: -393.727 Base-Backbone interact. energy: -1.892 local terms energy: -417.053503 where: bonds (distance) C4'-P energy: -73.519 bonds (distance) P-C4' energy: -86.763 flat angles C4'-P-C4' energy: -86.130 flat angles P-C4'-P energy: -59.281 tors. eta vs tors. theta energy: -111.360 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: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1233.042757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.042757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.042757 (E_RNA) where: Base-Base interactions energy: -830.955 where: short stacking energy: -353.982 Base-Backbone interact. energy: -1.204 local terms energy: -400.883903 where: bonds (distance) C4'-P energy: -70.359 bonds (distance) P-C4' energy: -75.347 flat angles C4'-P-C4' energy: -93.282 flat angles P-C4'-P energy: -60.495 tors. eta vs tors. theta energy: -101.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1190.563523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.563523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.563523 (E_RNA) where: Base-Base interactions energy: -815.963 where: short stacking energy: -353.366 Base-Backbone interact. energy: -0.488 local terms energy: -374.112535 where: bonds (distance) C4'-P energy: -58.760 bonds (distance) P-C4' energy: -72.605 flat angles C4'-P-C4' energy: -90.340 flat angles P-C4'-P energy: -50.224 tors. eta vs tors. theta energy: -102.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -923.728098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.728098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.728098 (E_RNA) where: Base-Base interactions energy: -604.656 where: short stacking energy: -265.777 Base-Backbone interact. energy: 1.174 local terms energy: -320.246369 where: bonds (distance) C4'-P energy: -60.526 bonds (distance) P-C4' energy: -85.130 flat angles C4'-P-C4' energy: -76.207 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -55.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -651.202782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.202782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.202782 (E_RNA) where: Base-Base interactions energy: -385.078 where: short stacking energy: -169.724 Base-Backbone interact. energy: -1.419 local terms energy: -264.705648 where: bonds (distance) C4'-P energy: -76.595 bonds (distance) P-C4' energy: -64.727 flat angles C4'-P-C4' energy: -64.757 flat angles P-C4'-P energy: -40.551 tors. eta vs tors. theta energy: -18.076 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -576.421226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.421226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.421226 (E_RNA) where: Base-Base interactions energy: -308.472 where: short stacking energy: -155.403 Base-Backbone interact. energy: 1.304 local terms energy: -269.252493 where: bonds (distance) C4'-P energy: -78.010 bonds (distance) P-C4' energy: -68.616 flat angles C4'-P-C4' energy: -68.994 flat angles P-C4'-P energy: -36.671 tors. eta vs tors. theta energy: -16.962 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: 7 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1546.954958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.954958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.954958 (E_RNA) where: Base-Base interactions energy: -1115.961 where: short stacking energy: -436.563 Base-Backbone interact. energy: -1.040 local terms energy: -429.953329 where: bonds (distance) C4'-P energy: -73.154 bonds (distance) P-C4' energy: -88.462 flat angles C4'-P-C4' energy: -99.070 flat angles P-C4'-P energy: -46.251 tors. eta vs tors. theta energy: -123.017 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: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1481.306431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.306431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.306431 (E_RNA) where: Base-Base interactions energy: -1044.836 where: short stacking energy: -434.180 Base-Backbone interact. energy: -2.372 local terms energy: -434.097745 where: bonds (distance) C4'-P energy: -70.045 bonds (distance) P-C4' energy: -86.644 flat angles C4'-P-C4' energy: -99.061 flat angles P-C4'-P energy: -64.552 tors. eta vs tors. theta energy: -113.796 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: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1376.764392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.764392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.764392 (E_RNA) where: Base-Base interactions energy: -945.482 where: short stacking energy: -419.103 Base-Backbone interact. energy: -0.169 local terms energy: -431.113369 where: bonds (distance) C4'-P energy: -81.165 bonds (distance) P-C4' energy: -76.473 flat angles C4'-P-C4' energy: -93.861 flat angles P-C4'-P energy: -61.622 tors. eta vs tors. theta energy: -117.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1353.051332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.051332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.051332 (E_RNA) where: Base-Base interactions energy: -932.707 where: short stacking energy: -400.975 Base-Backbone interact. energy: 1.601 local terms energy: -421.945593 where: bonds (distance) C4'-P energy: -73.302 bonds (distance) P-C4' energy: -79.523 flat angles C4'-P-C4' energy: -97.167 flat angles P-C4'-P energy: -63.953 tors. eta vs tors. theta energy: -108.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1295.434620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.434620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.434620 (E_RNA) where: Base-Base interactions energy: -899.673 where: short stacking energy: -393.418 Base-Backbone interact. energy: -1.641 local terms energy: -394.120236 where: bonds (distance) C4'-P energy: -71.071 bonds (distance) P-C4' energy: -79.772 flat angles C4'-P-C4' energy: -78.913 flat angles P-C4'-P energy: -55.480 tors. eta vs tors. theta energy: -108.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1245.684475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.684475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.684475 (E_RNA) where: Base-Base interactions energy: -845.495 where: short stacking energy: -365.145 Base-Backbone interact. energy: -1.685 local terms energy: -398.504987 where: bonds (distance) C4'-P energy: -77.913 bonds (distance) P-C4' energy: -83.712 flat angles C4'-P-C4' energy: -92.389 flat angles P-C4'-P energy: -55.209 tors. eta vs tors. theta energy: -89.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1201.501787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.501787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.501787 (E_RNA) where: Base-Base interactions energy: -812.979 where: short stacking energy: -365.404 Base-Backbone interact. energy: -0.272 local terms energy: -388.250708 where: bonds (distance) C4'-P energy: -70.849 bonds (distance) P-C4' energy: -73.686 flat angles C4'-P-C4' energy: -76.716 flat angles P-C4'-P energy: -61.604 tors. eta vs tors. theta energy: -105.395 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: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -961.270863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.270863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.270863 (E_RNA) where: Base-Base interactions energy: -638.078 where: short stacking energy: -275.821 Base-Backbone interact. energy: -0.329 local terms energy: -322.863811 where: bonds (distance) C4'-P energy: -81.959 bonds (distance) P-C4' energy: -76.606 flat angles C4'-P-C4' energy: -63.683 flat angles P-C4'-P energy: -40.033 tors. eta vs tors. theta energy: -60.582 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: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -664.946082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.946082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.946082 (E_RNA) where: Base-Base interactions energy: -396.247 where: short stacking energy: -180.853 Base-Backbone interact. energy: 2.718 local terms energy: -271.416799 where: bonds (distance) C4'-P energy: -74.249 bonds (distance) P-C4' energy: -85.117 flat angles C4'-P-C4' energy: -56.310 flat angles P-C4'-P energy: -26.909 tors. eta vs tors. theta energy: -28.832 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: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -592.998683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.998683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.998683 (E_RNA) where: Base-Base interactions energy: -337.949 where: short stacking energy: -160.417 Base-Backbone interact. energy: -1.846 local terms energy: -253.203845 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -71.793 flat angles P-C4'-P energy: -45.733 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1526.634730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.634730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.634730 (E_RNA) where: Base-Base interactions energy: -1092.061 where: short stacking energy: -419.359 Base-Backbone interact. energy: -4.000 local terms energy: -430.574478 where: bonds (distance) C4'-P energy: -83.691 bonds (distance) P-C4' energy: -87.057 flat angles C4'-P-C4' energy: -87.266 flat angles P-C4'-P energy: -57.132 tors. eta vs tors. theta energy: -115.428 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: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1470.826350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.826350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.826350 (E_RNA) where: Base-Base interactions energy: -1028.665 where: short stacking energy: -425.991 Base-Backbone interact. energy: -1.580 local terms energy: -440.581282 where: bonds (distance) C4'-P energy: -81.927 bonds (distance) P-C4' energy: -85.535 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -56.590 tors. eta vs tors. theta energy: -118.870 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: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1386.227065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.227065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.227065 (E_RNA) where: Base-Base interactions energy: -972.530 where: short stacking energy: -414.874 Base-Backbone interact. energy: -4.466 local terms energy: -409.230148 where: bonds (distance) C4'-P energy: -75.505 bonds (distance) P-C4' energy: -68.355 flat angles C4'-P-C4' energy: -92.770 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -113.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1325.575924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.575924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.575924 (E_RNA) where: Base-Base interactions energy: -923.029 where: short stacking energy: -408.016 Base-Backbone interact. energy: -0.822 local terms energy: -401.724161 where: bonds (distance) C4'-P energy: -76.502 bonds (distance) P-C4' energy: -73.157 flat angles C4'-P-C4' energy: -87.353 flat angles P-C4'-P energy: -52.839 tors. eta vs tors. theta energy: -111.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1326.733720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.733720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.733720 (E_RNA) where: Base-Base interactions energy: -949.246 where: short stacking energy: -402.606 Base-Backbone interact. energy: -0.796 local terms energy: -376.690907 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -67.219 flat angles C4'-P-C4' energy: -84.332 flat angles P-C4'-P energy: -54.248 tors. eta vs tors. theta energy: -99.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1242.900939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.900939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.900939 (E_RNA) where: Base-Base interactions energy: -860.340 where: short stacking energy: -349.436 Base-Backbone interact. energy: -1.050 local terms energy: -381.510696 where: bonds (distance) C4'-P energy: -73.606 bonds (distance) P-C4' energy: -75.442 flat angles C4'-P-C4' energy: -88.472 flat angles P-C4'-P energy: -49.458 tors. eta vs tors. theta energy: -94.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1153.489747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.489747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.489747 (E_RNA) where: Base-Base interactions energy: -790.946 where: short stacking energy: -340.284 Base-Backbone interact. energy: -0.592 local terms energy: -361.951783 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -67.297 flat angles C4'-P-C4' energy: -80.555 flat angles P-C4'-P energy: -63.300 tors. eta vs tors. theta energy: -85.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -979.363832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.363832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.363832 (E_RNA) where: Base-Base interactions energy: -642.148 where: short stacking energy: -280.909 Base-Backbone interact. energy: -0.373 local terms energy: -336.843092 where: bonds (distance) C4'-P energy: -76.548 bonds (distance) P-C4' energy: -67.151 flat angles C4'-P-C4' energy: -72.724 flat angles P-C4'-P energy: -61.455 tors. eta vs tors. theta energy: -58.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -664.042961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.042961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.042961 (E_RNA) where: Base-Base interactions energy: -411.763 where: short stacking energy: -188.239 Base-Backbone interact. energy: -1.172 local terms energy: -251.107900 where: bonds (distance) C4'-P energy: -56.749 bonds (distance) P-C4' energy: -63.791 flat angles C4'-P-C4' energy: -73.711 flat angles P-C4'-P energy: -36.118 tors. eta vs tors. theta energy: -20.739 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: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -587.703830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.703830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.703830 (E_RNA) where: Base-Base interactions energy: -323.762 where: short stacking energy: -171.067 Base-Backbone interact. energy: -1.926 local terms energy: -262.745397 where: bonds (distance) C4'-P energy: -74.556 bonds (distance) P-C4' energy: -56.133 flat angles C4'-P-C4' energy: -63.638 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -22.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.730 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1531.940750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.940750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.940750 (E_RNA) where: Base-Base interactions energy: -1075.819 where: short stacking energy: -413.159 Base-Backbone interact. energy: -1.254 local terms energy: -454.867834 where: bonds (distance) C4'-P energy: -83.491 bonds (distance) P-C4' energy: -94.693 flat angles C4'-P-C4' energy: -95.387 flat angles P-C4'-P energy: -63.098 tors. eta vs tors. theta energy: -118.199 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: 2, replica: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1472.608266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.608266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.608266 (E_RNA) where: Base-Base interactions energy: -1051.503 where: short stacking energy: -431.670 Base-Backbone interact. energy: -0.469 local terms energy: -420.635946 where: bonds (distance) C4'-P energy: -74.112 bonds (distance) P-C4' energy: -90.411 flat angles C4'-P-C4' energy: -88.728 flat angles P-C4'-P energy: -51.481 tors. eta vs tors. theta energy: -115.904 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: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1422.948539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.948539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.948539 (E_RNA) where: Base-Base interactions energy: -989.102 where: short stacking energy: -420.193 Base-Backbone interact. energy: -1.715 local terms energy: -432.131052 where: bonds (distance) C4'-P energy: -77.325 bonds (distance) P-C4' energy: -82.213 flat angles C4'-P-C4' energy: -96.208 flat angles P-C4'-P energy: -61.862 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: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1360.777613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.777613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.777613 (E_RNA) where: Base-Base interactions energy: -932.608 where: short stacking energy: -417.080 Base-Backbone interact. energy: -3.162 local terms energy: -425.007995 where: bonds (distance) C4'-P energy: -76.007 bonds (distance) P-C4' energy: -77.505 flat angles C4'-P-C4' energy: -97.334 flat angles P-C4'-P energy: -57.407 tors. eta vs tors. theta energy: -116.755 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: 467 Temperature: 1.100000 Total energy: -1282.446195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.446195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.446195 (E_RNA) where: Base-Base interactions energy: -912.995 where: short stacking energy: -363.530 Base-Backbone interact. energy: 5.246 local terms energy: -374.696456 where: bonds (distance) C4'-P energy: -83.079 bonds (distance) P-C4' energy: -75.400 flat angles C4'-P-C4' energy: -82.711 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -85.620 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: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1252.209550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.209550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.209550 (E_RNA) where: Base-Base interactions energy: -851.474 where: short stacking energy: -349.768 Base-Backbone interact. energy: -0.411 local terms energy: -400.324216 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -83.030 flat angles C4'-P-C4' energy: -87.429 flat angles P-C4'-P energy: -62.547 tors. eta vs tors. theta energy: -93.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1104.214123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.214123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.214123 (E_RNA) where: Base-Base interactions energy: -751.701 where: short stacking energy: -332.696 Base-Backbone interact. energy: -1.865 local terms energy: -350.647971 where: bonds (distance) C4'-P energy: -57.517 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -82.656 flat angles P-C4'-P energy: -49.243 tors. eta vs tors. theta energy: -90.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -941.275671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.275671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.275671 (E_RNA) where: Base-Base interactions energy: -642.742 where: short stacking energy: -270.577 Base-Backbone interact. energy: -0.064 local terms energy: -298.469521 where: bonds (distance) C4'-P energy: -74.136 bonds (distance) P-C4' energy: -80.952 flat angles C4'-P-C4' energy: -66.433 flat angles P-C4'-P energy: -31.285 tors. eta vs tors. theta energy: -45.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -641.953822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.953822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.953822 (E_RNA) where: Base-Base interactions energy: -346.847 where: short stacking energy: -152.021 Base-Backbone interact. energy: 2.091 local terms energy: -297.496591 where: bonds (distance) C4'-P energy: -81.237 bonds (distance) P-C4' energy: -83.529 flat angles C4'-P-C4' energy: -77.334 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -17.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.299 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -506.802668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.802668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.802668 (E_RNA) where: Base-Base interactions energy: -266.888 where: short stacking energy: -155.137 Base-Backbone interact. energy: -0.353 local terms energy: -239.561673 where: bonds (distance) C4'-P energy: -70.897 bonds (distance) P-C4' energy: -70.408 flat angles C4'-P-C4' energy: -59.163 flat angles P-C4'-P energy: -32.904 tors. eta vs tors. theta energy: -6.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1518.826748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.826748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.826748 (E_RNA) where: Base-Base interactions energy: -1074.962 where: short stacking energy: -423.936 Base-Backbone interact. energy: -1.542 local terms energy: -442.322729 where: bonds (distance) C4'-P energy: -87.252 bonds (distance) P-C4' energy: -83.636 flat angles C4'-P-C4' energy: -96.567 flat angles P-C4'-P energy: -56.472 tors. eta vs tors. theta energy: -118.395 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: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1497.001059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.001059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.001059 (E_RNA) where: Base-Base interactions energy: -1048.646 where: short stacking energy: -436.611 Base-Backbone interact. energy: -1.760 local terms energy: -446.595211 where: bonds (distance) C4'-P energy: -82.662 bonds (distance) P-C4' energy: -82.057 flat angles C4'-P-C4' energy: -97.238 flat angles P-C4'-P energy: -59.651 tors. eta vs tors. theta energy: -124.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1404.570448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.570448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.570448 (E_RNA) where: Base-Base interactions energy: -976.247 where: short stacking energy: -394.226 Base-Backbone interact. energy: -2.212 local terms energy: -426.111254 where: bonds (distance) C4'-P energy: -79.785 bonds (distance) P-C4' energy: -73.636 flat angles C4'-P-C4' energy: -96.789 flat angles P-C4'-P energy: -63.163 tors. eta vs tors. theta energy: -112.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1362.570164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.570164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.570164 (E_RNA) where: Base-Base interactions energy: -960.313 where: short stacking energy: -419.195 Base-Backbone interact. energy: -2.543 local terms energy: -399.714045 where: bonds (distance) C4'-P energy: -75.364 bonds (distance) P-C4' energy: -79.889 flat angles C4'-P-C4' energy: -93.724 flat angles P-C4'-P energy: -53.086 tors. eta vs tors. theta energy: -97.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1278.731033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.731033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.731033 (E_RNA) where: Base-Base interactions energy: -877.714 where: short stacking energy: -360.639 Base-Backbone interact. energy: -1.616 local terms energy: -399.400424 where: bonds (distance) C4'-P energy: -70.078 bonds (distance) P-C4' energy: -83.045 flat angles C4'-P-C4' energy: -85.628 flat angles P-C4'-P energy: -58.775 tors. eta vs tors. theta energy: -101.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1283.236717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.236717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.236717 (E_RNA) where: Base-Base interactions energy: -880.565 where: short stacking energy: -377.785 Base-Backbone interact. energy: -1.085 local terms energy: -401.586738 where: bonds (distance) C4'-P energy: -70.743 bonds (distance) P-C4' energy: -73.365 flat angles C4'-P-C4' energy: -89.000 flat angles P-C4'-P energy: -68.225 tors. eta vs tors. theta energy: -100.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1144.324906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.324906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.324906 (E_RNA) where: Base-Base interactions energy: -788.849 where: short stacking energy: -352.435 Base-Backbone interact. energy: -0.277 local terms energy: -355.198520 where: bonds (distance) C4'-P energy: -64.291 bonds (distance) P-C4' energy: -68.708 flat angles C4'-P-C4' energy: -82.681 flat angles P-C4'-P energy: -49.852 tors. eta vs tors. theta energy: -89.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -996.042087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.042087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.042087 (E_RNA) where: Base-Base interactions energy: -679.850 where: short stacking energy: -289.924 Base-Backbone interact. energy: -0.216 local terms energy: -315.976138 where: bonds (distance) C4'-P energy: -60.096 bonds (distance) P-C4' energy: -69.304 flat angles C4'-P-C4' energy: -79.549 flat angles P-C4'-P energy: -39.535 tors. eta vs tors. theta energy: -67.492 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: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -598.911572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.911572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.911572 (E_RNA) where: Base-Base interactions energy: -339.148 where: short stacking energy: -181.054 Base-Backbone interact. energy: -1.268 local terms energy: -258.495757 where: bonds (distance) C4'-P energy: -72.426 bonds (distance) P-C4' energy: -71.448 flat angles C4'-P-C4' energy: -59.358 flat angles P-C4'-P energy: -32.903 tors. eta vs tors. theta energy: -22.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -608.229684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.229684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.229684 (E_RNA) where: Base-Base interactions energy: -373.618 where: short stacking energy: -176.098 Base-Backbone interact. energy: -1.546 local terms energy: -233.066149 where: bonds (distance) C4'-P energy: -59.745 bonds (distance) P-C4' energy: -73.957 flat angles C4'-P-C4' energy: -49.093 flat angles P-C4'-P energy: -37.453 tors. eta vs tors. theta energy: -12.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1501.925228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.925228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.925228 (E_RNA) where: Base-Base interactions energy: -1061.956 where: short stacking energy: -425.077 Base-Backbone interact. energy: -2.347 local terms energy: -437.622445 where: bonds (distance) C4'-P energy: -81.265 bonds (distance) P-C4' energy: -87.614 flat angles C4'-P-C4' energy: -91.660 flat angles P-C4'-P energy: -60.734 tors. eta vs tors. theta energy: -116.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1466.520156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.520156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.520156 (E_RNA) where: Base-Base interactions energy: -1025.664 where: short stacking energy: -419.954 Base-Backbone interact. energy: -2.569 local terms energy: -438.287052 where: bonds (distance) C4'-P energy: -85.864 bonds (distance) P-C4' energy: -86.615 flat angles C4'-P-C4' energy: -91.752 flat angles P-C4'-P energy: -59.020 tors. eta vs tors. theta energy: -115.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1410.033023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.033023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.033023 (E_RNA) where: Base-Base interactions energy: -967.598 where: short stacking energy: -402.218 Base-Backbone interact. energy: 0.354 local terms energy: -442.789169 where: bonds (distance) C4'-P energy: -88.746 bonds (distance) P-C4' energy: -82.613 flat angles C4'-P-C4' energy: -92.884 flat angles P-C4'-P energy: -57.995 tors. eta vs tors. theta energy: -120.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1361.878723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.878723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.878723 (E_RNA) where: Base-Base interactions energy: -944.925 where: short stacking energy: -411.013 Base-Backbone interact. energy: -0.909 local terms energy: -416.045070 where: bonds (distance) C4'-P energy: -75.317 bonds (distance) P-C4' energy: -86.893 flat angles C4'-P-C4' energy: -80.468 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -114.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1292.073649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.073649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.073649 (E_RNA) where: Base-Base interactions energy: -891.573 where: short stacking energy: -385.433 Base-Backbone interact. energy: -2.242 local terms energy: -398.258325 where: bonds (distance) C4'-P energy: -68.923 bonds (distance) P-C4' energy: -62.911 flat angles C4'-P-C4' energy: -91.416 flat angles P-C4'-P energy: -68.146 tors. eta vs tors. theta energy: -106.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1193.711756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.711756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.711756 (E_RNA) where: Base-Base interactions energy: -824.537 where: short stacking energy: -361.280 Base-Backbone interact. energy: 0.461 local terms energy: -369.635715 where: bonds (distance) C4'-P energy: -61.993 bonds (distance) P-C4' energy: -74.906 flat angles C4'-P-C4' energy: -91.702 flat angles P-C4'-P energy: -52.225 tors. eta vs tors. theta energy: -88.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1225.902124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.902124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.902124 (E_RNA) where: Base-Base interactions energy: -858.678 where: short stacking energy: -362.396 Base-Backbone interact. energy: -0.028 local terms energy: -367.197068 where: bonds (distance) C4'-P energy: -65.478 bonds (distance) P-C4' energy: -78.845 flat angles C4'-P-C4' energy: -66.797 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -95.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -971.941363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.941363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.941363 (E_RNA) where: Base-Base interactions energy: -637.952 where: short stacking energy: -288.435 Base-Backbone interact. energy: 8.138 local terms energy: -342.126880 where: bonds (distance) C4'-P energy: -57.563 bonds (distance) P-C4' energy: -82.707 flat angles C4'-P-C4' energy: -85.105 flat angles P-C4'-P energy: -49.634 tors. eta vs tors. theta energy: -67.118 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: 469 Temperature: 1.300000 Total energy: -539.538788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.538788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.538788 (E_RNA) where: Base-Base interactions energy: -283.048 where: short stacking energy: -158.036 Base-Backbone interact. energy: 2.735 local terms energy: -259.225922 where: bonds (distance) C4'-P energy: -67.914 bonds (distance) P-C4' energy: -72.609 flat angles C4'-P-C4' energy: -59.688 flat angles P-C4'-P energy: -42.499 tors. eta vs tors. theta energy: -16.516 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: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -629.503390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.503390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.503390 (E_RNA) where: Base-Base interactions energy: -369.659 where: short stacking energy: -166.641 Base-Backbone interact. energy: 1.551 local terms energy: -261.394882 where: bonds (distance) C4'-P energy: -54.942 bonds (distance) P-C4' energy: -70.419 flat angles C4'-P-C4' energy: -63.366 flat angles P-C4'-P energy: -53.889 tors. eta vs tors. theta energy: -18.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1532.270310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.270310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.270310 (E_RNA) where: Base-Base interactions energy: -1090.441 where: short stacking energy: -438.427 Base-Backbone interact. energy: -0.444 local terms energy: -441.385348 where: bonds (distance) C4'-P energy: -89.158 bonds (distance) P-C4' energy: -86.477 flat angles C4'-P-C4' energy: -94.728 flat angles P-C4'-P energy: -52.143 tors. eta vs tors. theta energy: -118.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1491.808910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.808910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.808910 (E_RNA) where: Base-Base interactions energy: -1063.773 where: short stacking energy: -423.502 Base-Backbone interact. energy: -2.277 local terms energy: -425.759702 where: bonds (distance) C4'-P energy: -73.873 bonds (distance) P-C4' energy: -91.519 flat angles C4'-P-C4' energy: -91.458 flat angles P-C4'-P energy: -60.915 tors. eta vs tors. theta energy: -107.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1369.293382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.293382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.293382 (E_RNA) where: Base-Base interactions energy: -923.525 where: short stacking energy: -390.262 Base-Backbone interact. energy: -2.701 local terms energy: -443.067348 where: bonds (distance) C4'-P energy: -84.245 bonds (distance) P-C4' energy: -87.212 flat angles C4'-P-C4' energy: -98.210 flat angles P-C4'-P energy: -61.009 tors. eta vs tors. theta energy: -112.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1370.200130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.200130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.200130 (E_RNA) where: Base-Base interactions energy: -960.380 where: short stacking energy: -408.335 Base-Backbone interact. energy: -2.072 local terms energy: -407.748320 where: bonds (distance) C4'-P energy: -66.673 bonds (distance) P-C4' energy: -69.985 flat angles C4'-P-C4' energy: -88.162 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -122.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1260.011788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.011788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.011788 (E_RNA) where: Base-Base interactions energy: -864.573 where: short stacking energy: -368.678 Base-Backbone interact. energy: -0.671 local terms energy: -394.768142 where: bonds (distance) C4'-P energy: -79.983 bonds (distance) P-C4' energy: -79.565 flat angles C4'-P-C4' energy: -83.477 flat angles P-C4'-P energy: -54.147 tors. eta vs tors. theta energy: -97.597 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: 6 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1265.376362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.376362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.376362 (E_RNA) where: Base-Base interactions energy: -891.465 where: short stacking energy: -379.478 Base-Backbone interact. energy: -0.309 local terms energy: -373.602664 where: bonds (distance) C4'-P energy: -71.492 bonds (distance) P-C4' energy: -74.411 flat angles C4'-P-C4' energy: -79.806 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -103.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1179.032231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.032231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.032231 (E_RNA) where: Base-Base interactions energy: -820.218 where: short stacking energy: -345.814 Base-Backbone interact. energy: 2.431 local terms energy: -361.245281 where: bonds (distance) C4'-P energy: -71.498 bonds (distance) P-C4' energy: -72.292 flat angles C4'-P-C4' energy: -76.675 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -93.085 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: 470 Temperature: 1.250000 Total energy: -906.111334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.111334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.111334 (E_RNA) where: Base-Base interactions energy: -586.452 where: short stacking energy: -260.785 Base-Backbone interact. energy: 0.849 local terms energy: -320.508254 where: bonds (distance) C4'-P energy: -69.542 bonds (distance) P-C4' energy: -75.849 flat angles C4'-P-C4' energy: -77.567 flat angles P-C4'-P energy: -45.164 tors. eta vs tors. theta energy: -52.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -657.340412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.340412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.340412 (E_RNA) where: Base-Base interactions energy: -374.097 where: short stacking energy: -180.626 Base-Backbone interact. energy: -0.543 local terms energy: -282.700486 where: bonds (distance) C4'-P energy: -72.737 bonds (distance) P-C4' energy: -68.243 flat angles C4'-P-C4' energy: -64.939 flat angles P-C4'-P energy: -39.725 tors. eta vs tors. theta energy: -37.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -546.889612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.889612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.889612 (E_RNA) where: Base-Base interactions energy: -307.240 where: short stacking energy: -155.506 Base-Backbone interact. energy: -0.260 local terms energy: -239.389551 where: bonds (distance) C4'-P energy: -57.911 bonds (distance) P-C4' energy: -45.808 flat angles C4'-P-C4' energy: -63.054 flat angles P-C4'-P energy: -50.995 tors. eta vs tors. theta energy: -21.621 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: 7 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1544.767361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.767361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.767361 (E_RNA) where: Base-Base interactions energy: -1088.714 where: short stacking energy: -442.937 Base-Backbone interact. energy: 1.223 local terms energy: -457.276369 where: bonds (distance) C4'-P energy: -89.479 bonds (distance) P-C4' energy: -85.226 flat angles C4'-P-C4' energy: -92.951 flat angles P-C4'-P energy: -68.205 tors. eta vs tors. theta energy: -121.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1503.721742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.721742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.721742 (E_RNA) where: Base-Base interactions energy: -1065.301 where: short stacking energy: -431.822 Base-Backbone interact. energy: -4.741 local terms energy: -433.680503 where: bonds (distance) C4'-P energy: -76.387 bonds (distance) P-C4' energy: -76.580 flat angles C4'-P-C4' energy: -103.803 flat angles P-C4'-P energy: -61.907 tors. eta vs tors. theta energy: -115.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1386.328089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.328089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.328089 (E_RNA) where: Base-Base interactions energy: -966.285 where: short stacking energy: -420.173 Base-Backbone interact. energy: -1.980 local terms energy: -418.063395 where: bonds (distance) C4'-P energy: -78.563 bonds (distance) P-C4' energy: -78.966 flat angles C4'-P-C4' energy: -82.564 flat angles P-C4'-P energy: -60.651 tors. eta vs tors. theta energy: -117.319 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: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1358.956944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.956944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.956944 (E_RNA) where: Base-Base interactions energy: -935.928 where: short stacking energy: -432.314 Base-Backbone interact. energy: -2.467 local terms energy: -420.562385 where: bonds (distance) C4'-P energy: -69.742 bonds (distance) P-C4' energy: -81.600 flat angles C4'-P-C4' energy: -98.713 flat angles P-C4'-P energy: -53.838 tors. eta vs tors. theta energy: -116.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1253.836375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.836375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.836375 (E_RNA) where: Base-Base interactions energy: -853.403 where: short stacking energy: -374.885 Base-Backbone interact. energy: -1.609 local terms energy: -398.823883 where: bonds (distance) C4'-P energy: -71.292 bonds (distance) P-C4' energy: -85.278 flat angles C4'-P-C4' energy: -85.157 flat angles P-C4'-P energy: -60.076 tors. eta vs tors. theta energy: -97.021 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: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1244.070555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.070555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.070555 (E_RNA) where: Base-Base interactions energy: -870.286 where: short stacking energy: -354.613 Base-Backbone interact. energy: -1.864 local terms energy: -371.921515 where: bonds (distance) C4'-P energy: -72.722 bonds (distance) P-C4' energy: -65.488 flat angles C4'-P-C4' energy: -82.777 flat angles P-C4'-P energy: -62.168 tors. eta vs tors. theta energy: -88.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1188.868936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.868936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.868936 (E_RNA) where: Base-Base interactions energy: -795.132 where: short stacking energy: -340.276 Base-Backbone interact. energy: 1.260 local terms energy: -394.996991 where: bonds (distance) C4'-P energy: -91.190 bonds (distance) P-C4' energy: -71.619 flat angles C4'-P-C4' energy: -83.192 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -86.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -933.351973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.351973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.351973 (E_RNA) where: Base-Base interactions energy: -623.979 where: short stacking energy: -296.893 Base-Backbone interact. energy: 2.285 local terms energy: -311.657736 where: bonds (distance) C4'-P energy: -53.197 bonds (distance) P-C4' energy: -73.515 flat angles C4'-P-C4' energy: -74.624 flat angles P-C4'-P energy: -46.233 tors. eta vs tors. theta energy: -64.089 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: 9, replica: 2 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -729.610929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.610929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.610929 (E_RNA) where: Base-Base interactions energy: -443.348 where: short stacking energy: -221.370 Base-Backbone interact. energy: -0.714 local terms energy: -285.548706 where: bonds (distance) C4'-P energy: -55.561 bonds (distance) P-C4' energy: -66.391 flat angles C4'-P-C4' energy: -65.276 flat angles P-C4'-P energy: -51.920 tors. eta vs tors. theta energy: -46.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -498.893208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.893208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.893208 (E_RNA) where: Base-Base interactions energy: -267.045 where: short stacking energy: -133.631 Base-Backbone interact. energy: 0.377 local terms energy: -232.225340 where: bonds (distance) C4'-P energy: -64.496 bonds (distance) P-C4' energy: -73.116 flat angles C4'-P-C4' energy: -65.409 flat angles P-C4'-P energy: -41.961 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: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1540.064044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.064044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.064044 (E_RNA) where: Base-Base interactions energy: -1105.611 where: short stacking energy: -443.395 Base-Backbone interact. energy: -3.530 local terms energy: -430.922519 where: bonds (distance) C4'-P energy: -92.258 bonds (distance) P-C4' energy: -78.943 flat angles C4'-P-C4' energy: -85.080 flat angles P-C4'-P energy: -56.086 tors. eta vs tors. theta energy: -118.556 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: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1461.121520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.121520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.121520 (E_RNA) where: Base-Base interactions energy: -1023.924 where: short stacking energy: -428.070 Base-Backbone interact. energy: -2.154 local terms energy: -435.043744 where: bonds (distance) C4'-P energy: -81.642 bonds (distance) P-C4' energy: -83.902 flat angles C4'-P-C4' energy: -96.227 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: -112.730 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: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1389.336835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.336835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.336835 (E_RNA) where: Base-Base interactions energy: -953.718 where: short stacking energy: -414.921 Base-Backbone interact. energy: 0.875 local terms energy: -436.493081 where: bonds (distance) C4'-P energy: -75.087 bonds (distance) P-C4' energy: -86.517 flat angles C4'-P-C4' energy: -90.744 flat angles P-C4'-P energy: -61.964 tors. eta vs tors. theta energy: -122.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1364.567875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.567875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.567875 (E_RNA) where: Base-Base interactions energy: -928.165 where: short stacking energy: -418.903 Base-Backbone interact. energy: -1.391 local terms energy: -435.012057 where: bonds (distance) C4'-P energy: -79.749 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -95.146 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -115.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1263.716084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.716084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.716084 (E_RNA) where: Base-Base interactions energy: -868.196 where: short stacking energy: -386.709 Base-Backbone interact. energy: -2.328 local terms energy: -393.192373 where: bonds (distance) C4'-P energy: -71.013 bonds (distance) P-C4' energy: -63.140 flat angles C4'-P-C4' energy: -86.726 flat angles P-C4'-P energy: -62.826 tors. eta vs tors. theta energy: -109.487 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: 6, replica: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1249.584589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.584589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.584589 (E_RNA) where: Base-Base interactions energy: -859.359 where: short stacking energy: -348.614 Base-Backbone interact. energy: -1.154 local terms energy: -389.071487 where: bonds (distance) C4'-P energy: -83.673 bonds (distance) P-C4' energy: -76.436 flat angles C4'-P-C4' energy: -89.453 flat angles P-C4'-P energy: -46.258 tors. eta vs tors. theta energy: -93.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1169.912789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.912789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.912789 (E_RNA) where: Base-Base interactions energy: -810.987 where: short stacking energy: -337.521 Base-Backbone interact. energy: 1.595 local terms energy: -360.520853 where: bonds (distance) C4'-P energy: -69.496 bonds (distance) P-C4' energy: -87.165 flat angles C4'-P-C4' energy: -82.092 flat angles P-C4'-P energy: -50.310 tors. eta vs tors. theta energy: -71.459 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: 472 Temperature: 1.250000 Total energy: -948.784781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.784781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.784781 (E_RNA) where: Base-Base interactions energy: -638.689 where: short stacking energy: -268.611 Base-Backbone interact. energy: -0.721 local terms energy: -309.374995 where: bonds (distance) C4'-P energy: -60.014 bonds (distance) P-C4' energy: -71.460 flat angles C4'-P-C4' energy: -74.088 flat angles P-C4'-P energy: -45.402 tors. eta vs tors. theta energy: -58.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -691.515318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.515318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.515318 (E_RNA) where: Base-Base interactions energy: -407.017 where: short stacking energy: -174.197 Base-Backbone interact. energy: -0.923 local terms energy: -283.575001 where: bonds (distance) C4'-P energy: -82.936 bonds (distance) P-C4' energy: -62.140 flat angles C4'-P-C4' energy: -73.469 flat angles P-C4'-P energy: -48.991 tors. eta vs tors. theta energy: -16.038 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: 472 Temperature: 1.350000 Total energy: -496.105490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.105490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.105490 (E_RNA) where: Base-Base interactions energy: -250.663 where: short stacking energy: -157.099 Base-Backbone interact. energy: 5.540 local terms energy: -250.982480 where: bonds (distance) C4'-P energy: -64.479 bonds (distance) P-C4' energy: -74.478 flat angles C4'-P-C4' energy: -75.204 flat angles P-C4'-P energy: -30.737 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1535.560897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.560897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.560897 (E_RNA) where: Base-Base interactions energy: -1086.588 where: short stacking energy: -428.355 Base-Backbone interact. energy: -1.768 local terms energy: -447.203992 where: bonds (distance) C4'-P energy: -98.126 bonds (distance) P-C4' energy: -80.682 flat angles C4'-P-C4' energy: -92.774 flat angles P-C4'-P energy: -54.857 tors. eta vs tors. theta energy: -120.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1459.551059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.551059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.551059 (E_RNA) where: Base-Base interactions energy: -1026.647 where: short stacking energy: -424.784 Base-Backbone interact. energy: -4.509 local terms energy: -428.394999 where: bonds (distance) C4'-P energy: -80.606 bonds (distance) P-C4' energy: -81.582 flat angles C4'-P-C4' energy: -92.431 flat angles P-C4'-P energy: -63.215 tors. eta vs tors. theta energy: -110.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1423.449893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.449893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.449893 (E_RNA) where: Base-Base interactions energy: -966.524 where: short stacking energy: -417.449 Base-Backbone interact. energy: 0.103 local terms energy: -457.028216 where: bonds (distance) C4'-P energy: -89.572 bonds (distance) P-C4' energy: -78.382 flat angles C4'-P-C4' energy: -101.815 flat angles P-C4'-P energy: -72.122 tors. eta vs tors. theta energy: -115.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1367.255230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.255230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.255230 (E_RNA) where: Base-Base interactions energy: -928.392 where: short stacking energy: -404.881 Base-Backbone interact. energy: -1.494 local terms energy: -437.369620 where: bonds (distance) C4'-P energy: -79.707 bonds (distance) P-C4' energy: -87.559 flat angles C4'-P-C4' energy: -88.751 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -115.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1230.481456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.481456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.481456 (E_RNA) where: Base-Base interactions energy: -827.697 where: short stacking energy: -382.330 Base-Backbone interact. energy: -0.986 local terms energy: -401.798919 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -70.761 flat angles C4'-P-C4' energy: -92.199 flat angles P-C4'-P energy: -69.844 tors. eta vs tors. theta energy: -105.158 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: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1226.470887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.470887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.470887 (E_RNA) where: Base-Base interactions energy: -858.442 where: short stacking energy: -390.553 Base-Backbone interact. energy: 0.440 local terms energy: -368.469006 where: bonds (distance) C4'-P energy: -71.653 bonds (distance) P-C4' energy: -68.632 flat angles C4'-P-C4' energy: -71.534 flat angles P-C4'-P energy: -56.170 tors. eta vs tors. theta energy: -100.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1154.143785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.143785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.143785 (E_RNA) where: Base-Base interactions energy: -772.584 where: short stacking energy: -329.509 Base-Backbone interact. energy: 3.235 local terms energy: -384.794953 where: bonds (distance) C4'-P energy: -74.114 bonds (distance) P-C4' energy: -81.729 flat angles C4'-P-C4' energy: -90.244 flat angles P-C4'-P energy: -57.365 tors. eta vs tors. theta energy: -81.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -946.083858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.083858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.083858 (E_RNA) where: Base-Base interactions energy: -623.545 where: short stacking energy: -257.834 Base-Backbone interact. energy: 0.667 local terms energy: -323.205578 where: bonds (distance) C4'-P energy: -81.440 bonds (distance) P-C4' energy: -70.179 flat angles C4'-P-C4' energy: -66.527 flat angles P-C4'-P energy: -47.743 tors. eta vs tors. theta energy: -57.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -740.954095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.954095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.954095 (E_RNA) where: Base-Base interactions energy: -443.242 where: short stacking energy: -209.301 Base-Backbone interact. energy: 0.666 local terms energy: -298.377963 where: bonds (distance) C4'-P energy: -70.381 bonds (distance) P-C4' energy: -77.034 flat angles C4'-P-C4' energy: -74.093 flat angles P-C4'-P energy: -47.546 tors. eta vs tors. theta energy: -29.324 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: 473 Temperature: 1.350000 Total energy: -504.323718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.323718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.323718 (E_RNA) where: Base-Base interactions energy: -256.216 where: short stacking energy: -140.108 Base-Backbone interact. energy: 0.307 local terms energy: -248.415359 where: bonds (distance) C4'-P energy: -61.595 bonds (distance) P-C4' energy: -67.446 flat angles C4'-P-C4' energy: -64.307 flat angles P-C4'-P energy: -45.474 tors. eta vs tors. theta energy: -9.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1557.951619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.951619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.951619 (E_RNA) where: Base-Base interactions energy: -1107.054 where: short stacking energy: -432.368 Base-Backbone interact. energy: 0.697 local terms energy: -451.594679 where: bonds (distance) C4'-P energy: -89.041 bonds (distance) P-C4' energy: -88.374 flat angles C4'-P-C4' energy: -96.021 flat angles P-C4'-P energy: -62.666 tors. eta vs tors. theta energy: -115.492 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: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1440.046118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.046118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.046118 (E_RNA) where: Base-Base interactions energy: -1013.908 where: short stacking energy: -430.672 Base-Backbone interact. energy: -1.422 local terms energy: -424.716460 where: bonds (distance) C4'-P energy: -74.032 bonds (distance) P-C4' energy: -89.811 flat angles C4'-P-C4' energy: -91.252 flat angles P-C4'-P energy: -57.690 tors. eta vs tors. theta energy: -111.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1401.751226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.751226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.751226 (E_RNA) where: Base-Base interactions energy: -964.211 where: short stacking energy: -440.003 Base-Backbone interact. energy: -0.558 local terms energy: -436.982665 where: bonds (distance) C4'-P energy: -78.542 bonds (distance) P-C4' energy: -79.550 flat angles C4'-P-C4' energy: -91.057 flat angles P-C4'-P energy: -65.528 tors. eta vs tors. theta energy: -122.306 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: 4, replica: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1319.707418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.707418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.707418 (E_RNA) where: Base-Base interactions energy: -909.310 where: short stacking energy: -403.801 Base-Backbone interact. energy: 0.467 local terms energy: -410.864038 where: bonds (distance) C4'-P energy: -77.720 bonds (distance) P-C4' energy: -80.711 flat angles C4'-P-C4' energy: -87.272 flat angles P-C4'-P energy: -61.231 tors. eta vs tors. theta energy: -103.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1277.215338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.215338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.215338 (E_RNA) where: Base-Base interactions energy: -857.111 where: short stacking energy: -390.244 Base-Backbone interact. energy: -0.730 local terms energy: -419.374582 where: bonds (distance) C4'-P energy: -82.152 bonds (distance) P-C4' energy: -74.167 flat angles C4'-P-C4' energy: -93.467 flat angles P-C4'-P energy: -57.706 tors. eta vs tors. theta energy: -111.882 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: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1186.360769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.360769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.360769 (E_RNA) where: Base-Base interactions energy: -823.235 where: short stacking energy: -339.712 Base-Backbone interact. energy: -1.140 local terms energy: -361.986061 where: bonds (distance) C4'-P energy: -70.626 bonds (distance) P-C4' energy: -72.418 flat angles C4'-P-C4' energy: -85.486 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -76.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1170.865681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.865681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.865681 (E_RNA) where: Base-Base interactions energy: -801.267 where: short stacking energy: -335.092 Base-Backbone interact. energy: -0.072 local terms energy: -369.527479 where: bonds (distance) C4'-P energy: -63.193 bonds (distance) P-C4' energy: -78.421 flat angles C4'-P-C4' energy: -82.142 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -84.631 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: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -953.058230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.058230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.058230 (E_RNA) where: Base-Base interactions energy: -670.036 where: short stacking energy: -299.222 Base-Backbone interact. energy: -1.211 local terms energy: -281.811229 where: bonds (distance) C4'-P energy: -48.237 bonds (distance) P-C4' energy: -58.299 flat angles C4'-P-C4' energy: -76.526 flat angles P-C4'-P energy: -48.020 tors. eta vs tors. theta energy: -50.729 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: 2 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -798.123937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.123937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.123937 (E_RNA) where: Base-Base interactions energy: -501.493 where: short stacking energy: -239.845 Base-Backbone interact. energy: 1.004 local terms energy: -297.634986 where: bonds (distance) C4'-P energy: -65.708 bonds (distance) P-C4' energy: -79.826 flat angles C4'-P-C4' energy: -70.290 flat angles P-C4'-P energy: -39.560 tors. eta vs tors. theta energy: -42.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -547.994376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.994376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.994376 (E_RNA) where: Base-Base interactions energy: -314.860 where: short stacking energy: -173.058 Base-Backbone interact. energy: -0.855 local terms energy: -232.280311 where: bonds (distance) C4'-P energy: -51.109 bonds (distance) P-C4' energy: -68.871 flat angles C4'-P-C4' energy: -67.571 flat angles P-C4'-P energy: -31.067 tors. eta vs tors. theta energy: -13.663 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: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1537.609221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.609221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.609221 (E_RNA) where: Base-Base interactions energy: -1086.403 where: short stacking energy: -433.166 Base-Backbone interact. energy: -2.005 local terms energy: -449.200996 where: bonds (distance) C4'-P energy: -87.357 bonds (distance) P-C4' energy: -86.699 flat angles C4'-P-C4' energy: -94.860 flat angles P-C4'-P energy: -58.650 tors. eta vs tors. theta energy: -121.636 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: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1416.871797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.871797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.871797 (E_RNA) where: Base-Base interactions energy: -975.167 where: short stacking energy: -412.277 Base-Backbone interact. energy: -2.648 local terms energy: -439.056705 where: bonds (distance) C4'-P energy: -80.979 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -97.041 flat angles P-C4'-P energy: -62.928 tors. eta vs tors. theta energy: -119.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1433.361216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.361216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.361216 (E_RNA) where: Base-Base interactions energy: -1027.854 where: short stacking energy: -409.258 Base-Backbone interact. energy: -1.531 local terms energy: -403.975812 where: bonds (distance) C4'-P energy: -69.203 bonds (distance) P-C4' energy: -79.776 flat angles C4'-P-C4' energy: -90.959 flat angles P-C4'-P energy: -59.355 tors. eta vs tors. theta energy: -104.684 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: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1314.198633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.198633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.198633 (E_RNA) where: Base-Base interactions energy: -904.984 where: short stacking energy: -396.088 Base-Backbone interact. energy: -1.722 local terms energy: -407.492589 where: bonds (distance) C4'-P energy: -81.543 bonds (distance) P-C4' energy: -59.763 flat angles C4'-P-C4' energy: -88.381 flat angles P-C4'-P energy: -66.902 tors. eta vs tors. theta energy: -110.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1257.575121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.575121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.575121 (E_RNA) where: Base-Base interactions energy: -852.303 where: short stacking energy: -393.195 Base-Backbone interact. energy: -2.314 local terms energy: -402.958296 where: bonds (distance) C4'-P energy: -65.460 bonds (distance) P-C4' energy: -77.136 flat angles C4'-P-C4' energy: -77.611 flat angles P-C4'-P energy: -68.502 tors. eta vs tors. theta energy: -114.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1213.274970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.274970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.274970 (E_RNA) where: Base-Base interactions energy: -826.152 where: short stacking energy: -363.113 Base-Backbone interact. energy: -0.981 local terms energy: -386.141673 where: bonds (distance) C4'-P energy: -75.941 bonds (distance) P-C4' energy: -63.928 flat angles C4'-P-C4' energy: -91.463 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -98.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1098.111454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.111454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.111454 (E_RNA) where: Base-Base interactions energy: -752.900 where: short stacking energy: -340.132 Base-Backbone interact. energy: -0.065 local terms energy: -345.146505 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -68.216 flat angles C4'-P-C4' energy: -91.060 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -74.510 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: 475 Temperature: 1.250000 Total energy: -944.107196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.107196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.107196 (E_RNA) where: Base-Base interactions energy: -636.801 where: short stacking energy: -296.944 Base-Backbone interact. energy: -2.460 local terms energy: -304.846478 where: bonds (distance) C4'-P energy: -65.596 bonds (distance) P-C4' energy: -70.889 flat angles C4'-P-C4' energy: -62.119 flat angles P-C4'-P energy: -48.567 tors. eta vs tors. theta energy: -57.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -765.767284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.767284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.767284 (E_RNA) where: Base-Base interactions energy: -472.318 where: short stacking energy: -227.767 Base-Backbone interact. energy: 1.691 local terms energy: -295.140029 where: bonds (distance) C4'-P energy: -70.431 bonds (distance) P-C4' energy: -81.468 flat angles C4'-P-C4' energy: -65.823 flat angles P-C4'-P energy: -41.596 tors. eta vs tors. theta energy: -35.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -464.275849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.275849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.275849 (E_RNA) where: Base-Base interactions energy: -231.445 where: short stacking energy: -113.891 Base-Backbone interact. energy: 4.666 local terms energy: -238.776095 where: bonds (distance) C4'-P energy: -70.523 bonds (distance) P-C4' energy: -77.827 flat angles C4'-P-C4' energy: -64.210 flat angles P-C4'-P energy: -23.954 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 1.279 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1543.845313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.845313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.845313 (E_RNA) where: Base-Base interactions energy: -1116.611 where: short stacking energy: -444.683 Base-Backbone interact. energy: -1.120 local terms energy: -426.113645 where: bonds (distance) C4'-P energy: -78.794 bonds (distance) P-C4' energy: -78.959 flat angles C4'-P-C4' energy: -96.369 flat angles P-C4'-P energy: -50.869 tors. eta vs tors. theta energy: -121.123 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: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1461.464959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.464959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.464959 (E_RNA) where: Base-Base interactions energy: -997.495 where: short stacking energy: -434.243 Base-Backbone interact. energy: -1.162 local terms energy: -462.808484 where: bonds (distance) C4'-P energy: -80.167 bonds (distance) P-C4' energy: -90.208 flat angles C4'-P-C4' energy: -94.116 flat angles P-C4'-P energy: -75.329 tors. eta vs tors. theta energy: -122.989 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: 476 Temperature: 1.000000 Total energy: -1423.984462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.984462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.984462 (E_RNA) where: Base-Base interactions energy: -1015.989 where: short stacking energy: -400.497 Base-Backbone interact. energy: 3.509 local terms energy: -411.504128 where: bonds (distance) C4'-P energy: -88.898 bonds (distance) P-C4' energy: -79.311 flat angles C4'-P-C4' energy: -79.684 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -104.514 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: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1321.841415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.841415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.841415 (E_RNA) where: Base-Base interactions energy: -919.272 where: short stacking energy: -410.945 Base-Backbone interact. energy: -2.150 local terms energy: -400.419584 where: bonds (distance) C4'-P energy: -64.641 bonds (distance) P-C4' energy: -82.486 flat angles C4'-P-C4' energy: -81.824 flat angles P-C4'-P energy: -55.013 tors. eta vs tors. theta energy: -116.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1264.756258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.756258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.756258 (E_RNA) where: Base-Base interactions energy: -897.145 where: short stacking energy: -392.152 Base-Backbone interact. energy: -0.106 local terms energy: -367.505194 where: bonds (distance) C4'-P energy: -67.021 bonds (distance) P-C4' energy: -75.538 flat angles C4'-P-C4' energy: -77.752 flat angles P-C4'-P energy: -45.882 tors. eta vs tors. theta energy: -101.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1193.228138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.228138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.228138 (E_RNA) where: Base-Base interactions energy: -813.895 where: short stacking energy: -334.091 Base-Backbone interact. energy: -1.393 local terms energy: -377.939873 where: bonds (distance) C4'-P energy: -78.046 bonds (distance) P-C4' energy: -69.260 flat angles C4'-P-C4' energy: -83.444 flat angles P-C4'-P energy: -58.929 tors. eta vs tors. theta energy: -88.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1085.457568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.457568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.457568 (E_RNA) where: Base-Base interactions energy: -744.683 where: short stacking energy: -320.642 Base-Backbone interact. energy: 1.030 local terms energy: -341.804981 where: bonds (distance) C4'-P energy: -66.688 bonds (distance) P-C4' energy: -71.322 flat angles C4'-P-C4' energy: -76.764 flat angles P-C4'-P energy: -54.559 tors. eta vs tors. theta energy: -72.471 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: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -917.178454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.178454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.178454 (E_RNA) where: Base-Base interactions energy: -611.967 where: short stacking energy: -279.845 Base-Backbone interact. energy: 4.100 local terms energy: -309.311687 where: bonds (distance) C4'-P energy: -59.775 bonds (distance) P-C4' energy: -63.479 flat angles C4'-P-C4' energy: -80.231 flat angles P-C4'-P energy: -51.025 tors. eta vs tors. theta energy: -54.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -730.219049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.219049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.219049 (E_RNA) where: Base-Base interactions energy: -463.449 where: short stacking energy: -196.559 Base-Backbone interact. energy: 6.524 local terms energy: -273.293658 where: bonds (distance) C4'-P energy: -72.070 bonds (distance) P-C4' energy: -79.034 flat angles C4'-P-C4' energy: -53.050 flat angles P-C4'-P energy: -43.369 tors. eta vs tors. theta energy: -25.770 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: 476 Temperature: 1.350000 Total energy: -495.985203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.985203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.985203 (E_RNA) where: Base-Base interactions energy: -272.978 where: short stacking energy: -142.652 Base-Backbone interact. energy: 1.010 local terms energy: -224.016801 where: bonds (distance) C4'-P energy: -62.660 bonds (distance) P-C4' energy: -66.748 flat angles C4'-P-C4' energy: -55.111 flat angles P-C4'-P energy: -38.516 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1568.973928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.973928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.973928 (E_RNA) where: Base-Base interactions energy: -1116.860 where: short stacking energy: -438.805 Base-Backbone interact. energy: -0.901 local terms energy: -451.213165 where: bonds (distance) C4'-P energy: -78.282 bonds (distance) P-C4' energy: -93.353 flat angles C4'-P-C4' energy: -103.758 flat angles P-C4'-P energy: -52.487 tors. eta vs tors. theta energy: -123.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1462.085291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.085291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.085291 (E_RNA) where: Base-Base interactions energy: -1056.673 where: short stacking energy: -423.086 Base-Backbone interact. energy: -2.126 local terms energy: -403.286862 where: bonds (distance) C4'-P energy: -75.472 bonds (distance) P-C4' energy: -77.901 flat angles C4'-P-C4' energy: -88.198 flat angles P-C4'-P energy: -60.157 tors. eta vs tors. theta energy: -101.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1408.983996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.983996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.983996 (E_RNA) where: Base-Base interactions energy: -994.995 where: short stacking energy: -434.357 Base-Backbone interact. energy: -1.973 local terms energy: -412.015648 where: bonds (distance) C4'-P energy: -69.808 bonds (distance) P-C4' energy: -80.730 flat angles C4'-P-C4' energy: -89.668 flat angles P-C4'-P energy: -53.857 tors. eta vs tors. theta energy: -117.953 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: 477 Temperature: 1.050000 Total energy: -1296.237006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.237006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.237006 (E_RNA) where: Base-Base interactions energy: -885.421 where: short stacking energy: -391.423 Base-Backbone interact. energy: -0.291 local terms energy: -410.525141 where: bonds (distance) C4'-P energy: -76.304 bonds (distance) P-C4' energy: -78.625 flat angles C4'-P-C4' energy: -91.874 flat angles P-C4'-P energy: -65.895 tors. eta vs tors. theta energy: -97.827 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: 477 Temperature: 1.100000 Total energy: -1277.037824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.037824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.037824 (E_RNA) where: Base-Base interactions energy: -870.317 where: short stacking energy: -378.648 Base-Backbone interact. energy: 1.512 local terms energy: -408.232672 where: bonds (distance) C4'-P energy: -82.277 bonds (distance) P-C4' energy: -84.942 flat angles C4'-P-C4' energy: -84.014 flat angles P-C4'-P energy: -56.711 tors. eta vs tors. theta energy: -100.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1229.178616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.178616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.178616 (E_RNA) where: Base-Base interactions energy: -851.637 where: short stacking energy: -372.853 Base-Backbone interact. energy: 1.023 local terms energy: -378.564993 where: bonds (distance) C4'-P energy: -66.401 bonds (distance) P-C4' energy: -69.837 flat angles C4'-P-C4' energy: -77.035 flat angles P-C4'-P energy: -63.575 tors. eta vs tors. theta energy: -101.717 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: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1076.035468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.035468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.035468 (E_RNA) where: Base-Base interactions energy: -753.905 where: short stacking energy: -328.838 Base-Backbone interact. energy: -0.144 local terms energy: -321.986139 where: bonds (distance) C4'-P energy: -57.314 bonds (distance) P-C4' energy: -70.521 flat angles C4'-P-C4' energy: -78.844 flat angles P-C4'-P energy: -41.332 tors. eta vs tors. theta energy: -73.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -940.685969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.685969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.685969 (E_RNA) where: Base-Base interactions energy: -628.687 where: short stacking energy: -293.522 Base-Backbone interact. energy: 3.632 local terms energy: -315.631093 where: bonds (distance) C4'-P energy: -75.167 bonds (distance) P-C4' energy: -67.699 flat angles C4'-P-C4' energy: -58.375 flat angles P-C4'-P energy: -53.464 tors. eta vs tors. theta energy: -60.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -752.484510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.484510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.484510 (E_RNA) where: Base-Base interactions energy: -472.704 where: short stacking energy: -213.838 Base-Backbone interact. energy: -1.694 local terms energy: -278.087101 where: bonds (distance) C4'-P energy: -72.636 bonds (distance) P-C4' energy: -74.774 flat angles C4'-P-C4' energy: -61.729 flat angles P-C4'-P energy: -37.203 tors. eta vs tors. theta energy: -31.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -504.057825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.057825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.057825 (E_RNA) where: Base-Base interactions energy: -247.570 where: short stacking energy: -147.279 Base-Backbone interact. energy: -1.648 local terms energy: -254.839705 where: bonds (distance) C4'-P energy: -75.533 bonds (distance) P-C4' energy: -68.692 flat angles C4'-P-C4' energy: -65.007 flat angles P-C4'-P energy: -35.225 tors. eta vs tors. theta energy: -10.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1564.620520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.620520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.620520 (E_RNA) where: Base-Base interactions energy: -1092.843 where: short stacking energy: -433.481 Base-Backbone interact. energy: -2.480 local terms energy: -469.297157 where: bonds (distance) C4'-P energy: -90.898 bonds (distance) P-C4' energy: -91.531 flat angles C4'-P-C4' energy: -102.677 flat angles P-C4'-P energy: -57.654 tors. eta vs tors. theta energy: -126.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1460.665269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.665269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.665269 (E_RNA) where: Base-Base interactions energy: -1030.424 where: short stacking energy: -419.545 Base-Backbone interact. energy: -2.013 local terms energy: -428.228362 where: bonds (distance) C4'-P energy: -76.153 bonds (distance) P-C4' energy: -87.304 flat angles C4'-P-C4' energy: -90.507 flat angles P-C4'-P energy: -60.664 tors. eta vs tors. theta energy: -113.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1412.285233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.285233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.285233 (E_RNA) where: Base-Base interactions energy: -993.255 where: short stacking energy: -428.267 Base-Backbone interact. energy: -0.910 local terms energy: -418.120381 where: bonds (distance) C4'-P energy: -78.869 bonds (distance) P-C4' energy: -68.662 flat angles C4'-P-C4' energy: -87.315 flat angles P-C4'-P energy: -69.366 tors. eta vs tors. theta energy: -113.908 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: 4, replica: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1289.217546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.217546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.217546 (E_RNA) where: Base-Base interactions energy: -903.268 where: short stacking energy: -369.859 Base-Backbone interact. energy: -0.322 local terms energy: -385.628284 where: bonds (distance) C4'-P energy: -82.716 bonds (distance) P-C4' energy: -71.345 flat angles C4'-P-C4' energy: -83.760 flat angles P-C4'-P energy: -49.143 tors. eta vs tors. theta energy: -98.665 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: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1263.375399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.375399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.375399 (E_RNA) where: Base-Base interactions energy: -864.131 where: short stacking energy: -386.923 Base-Backbone interact. energy: -0.914 local terms energy: -398.330377 where: bonds (distance) C4'-P energy: -74.356 bonds (distance) P-C4' energy: -80.818 flat angles C4'-P-C4' energy: -80.968 flat angles P-C4'-P energy: -64.932 tors. eta vs tors. theta energy: -97.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1250.829389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.829389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.829389 (E_RNA) where: Base-Base interactions energy: -853.090 where: short stacking energy: -355.888 Base-Backbone interact. energy: -1.529 local terms energy: -396.210391 where: bonds (distance) C4'-P energy: -78.062 bonds (distance) P-C4' energy: -85.178 flat angles C4'-P-C4' energy: -79.567 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -93.856 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: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1077.030311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.030311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.030311 (E_RNA) where: Base-Base interactions energy: -743.201 where: short stacking energy: -311.823 Base-Backbone interact. energy: 6.518 local terms energy: -340.346324 where: bonds (distance) C4'-P energy: -67.053 bonds (distance) P-C4' energy: -72.312 flat angles C4'-P-C4' energy: -76.918 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -77.012 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: 478 Temperature: 1.250000 Total energy: -930.971645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.971645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.971645 (E_RNA) where: Base-Base interactions energy: -603.306 where: short stacking energy: -269.549 Base-Backbone interact. energy: -0.210 local terms energy: -327.455173 where: bonds (distance) C4'-P energy: -59.652 bonds (distance) P-C4' energy: -76.325 flat angles C4'-P-C4' energy: -79.628 flat angles P-C4'-P energy: -48.055 tors. eta vs tors. theta energy: -63.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -781.750614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.750614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.750614 (E_RNA) where: Base-Base interactions energy: -486.000 where: short stacking energy: -226.423 Base-Backbone interact. energy: 0.506 local terms energy: -296.256937 where: bonds (distance) C4'-P energy: -64.704 bonds (distance) P-C4' energy: -65.531 flat angles C4'-P-C4' energy: -73.635 flat angles P-C4'-P energy: -52.177 tors. eta vs tors. theta energy: -40.210 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: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -520.010503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.010503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.010503 (E_RNA) where: Base-Base interactions energy: -302.123 where: short stacking energy: -119.260 Base-Backbone interact. energy: 1.309 local terms energy: -219.196462 where: bonds (distance) C4'-P energy: -63.966 bonds (distance) P-C4' energy: -75.090 flat angles C4'-P-C4' energy: -54.149 flat angles P-C4'-P energy: -32.126 tors. eta vs tors. theta energy: 6.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1549.566219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.566219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.566219 (E_RNA) where: Base-Base interactions energy: -1112.794 where: short stacking energy: -429.668 Base-Backbone interact. energy: 0.805 local terms energy: -437.577209 where: bonds (distance) C4'-P energy: -76.372 bonds (distance) P-C4' energy: -88.824 flat angles C4'-P-C4' energy: -93.594 flat angles P-C4'-P energy: -54.606 tors. eta vs tors. theta energy: -124.181 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: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1460.698754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.698754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.698754 (E_RNA) where: Base-Base interactions energy: -1030.406 where: short stacking energy: -432.987 Base-Backbone interact. energy: 0.719 local terms energy: -431.011856 where: bonds (distance) C4'-P energy: -75.839 bonds (distance) P-C4' energy: -80.990 flat angles C4'-P-C4' energy: -98.394 flat angles P-C4'-P energy: -58.757 tors. eta vs tors. theta energy: -117.032 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: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1425.256427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.256427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.256427 (E_RNA) where: Base-Base interactions energy: -978.277 where: short stacking energy: -427.494 Base-Backbone interact. energy: 0.047 local terms energy: -447.026577 where: bonds (distance) C4'-P energy: -85.075 bonds (distance) P-C4' energy: -89.090 flat angles C4'-P-C4' energy: -93.204 flat angles P-C4'-P energy: -68.367 tors. eta vs tors. theta energy: -111.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1319.400683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.400683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.400683 (E_RNA) where: Base-Base interactions energy: -901.887 where: short stacking energy: -378.544 Base-Backbone interact. energy: -0.424 local terms energy: -417.089471 where: bonds (distance) C4'-P energy: -76.622 bonds (distance) P-C4' energy: -84.238 flat angles C4'-P-C4' energy: -92.058 flat angles P-C4'-P energy: -65.217 tors. eta vs tors. theta energy: -98.954 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: 479 Temperature: 1.100000 Total energy: -1213.184564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.184564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.184564 (E_RNA) where: Base-Base interactions energy: -807.018 where: short stacking energy: -336.191 Base-Backbone interact. energy: 4.945 local terms energy: -411.111340 where: bonds (distance) C4'-P energy: -70.534 bonds (distance) P-C4' energy: -73.130 flat angles C4'-P-C4' energy: -98.822 flat angles P-C4'-P energy: -72.365 tors. eta vs tors. theta energy: -96.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1242.281489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.281489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.281489 (E_RNA) where: Base-Base interactions energy: -870.201 where: short stacking energy: -358.347 Base-Backbone interact. energy: -0.254 local terms energy: -371.827282 where: bonds (distance) C4'-P energy: -70.588 bonds (distance) P-C4' energy: -77.038 flat angles C4'-P-C4' energy: -83.533 flat angles P-C4'-P energy: -57.066 tors. eta vs tors. theta energy: -83.602 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: 7, replica: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1075.878449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.878449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.878449 (E_RNA) where: Base-Base interactions energy: -725.008 where: short stacking energy: -317.372 Base-Backbone interact. energy: 0.291 local terms energy: -351.161612 where: bonds (distance) C4'-P energy: -67.047 bonds (distance) P-C4' energy: -65.599 flat angles C4'-P-C4' energy: -90.958 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -71.049 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: 479 Temperature: 1.250000 Total energy: -935.264704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.264704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.264704 (E_RNA) where: Base-Base interactions energy: -621.680 where: short stacking energy: -259.923 Base-Backbone interact. energy: -0.253 local terms energy: -313.331883 where: bonds (distance) C4'-P energy: -66.785 bonds (distance) P-C4' energy: -68.713 flat angles C4'-P-C4' energy: -89.888 flat angles P-C4'-P energy: -46.912 tors. eta vs tors. theta energy: -41.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -753.032071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.032071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.032071 (E_RNA) where: Base-Base interactions energy: -436.061 where: short stacking energy: -215.497 Base-Backbone interact. energy: -0.252 local terms energy: -316.719661 where: bonds (distance) C4'-P energy: -83.504 bonds (distance) P-C4' energy: -72.920 flat angles C4'-P-C4' energy: -78.354 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -35.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -513.099863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.099863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.099863 (E_RNA) where: Base-Base interactions energy: -304.128 where: short stacking energy: -150.118 Base-Backbone interact. energy: -0.938 local terms energy: -208.034058 where: bonds (distance) C4'-P energy: -52.171 bonds (distance) P-C4' energy: -69.192 flat angles C4'-P-C4' energy: -50.057 flat angles P-C4'-P energy: -31.543 tors. eta vs tors. theta energy: -5.071 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: 1, replica: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1569.747653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.747653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.747653 (E_RNA) where: Base-Base interactions energy: -1121.767 where: short stacking energy: -436.389 Base-Backbone interact. energy: -1.818 local terms energy: -446.162667 where: bonds (distance) C4'-P energy: -82.443 bonds (distance) P-C4' energy: -85.974 flat angles C4'-P-C4' energy: -101.334 flat angles P-C4'-P energy: -53.329 tors. eta vs tors. theta energy: -123.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1473.515529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.515529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.515529 (E_RNA) where: Base-Base interactions energy: -1043.862 where: short stacking energy: -410.521 Base-Backbone interact. energy: -0.856 local terms energy: -428.797576 where: bonds (distance) C4'-P energy: -80.061 bonds (distance) P-C4' energy: -89.546 flat angles C4'-P-C4' energy: -87.889 flat angles P-C4'-P energy: -60.035 tors. eta vs tors. theta energy: -111.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1429.991773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.991773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.991773 (E_RNA) where: Base-Base interactions energy: -992.729 where: short stacking energy: -423.473 Base-Backbone interact. energy: -2.245 local terms energy: -435.017485 where: bonds (distance) C4'-P energy: -77.994 bonds (distance) P-C4' energy: -82.059 flat angles C4'-P-C4' energy: -93.582 flat angles P-C4'-P energy: -63.652 tors. eta vs tors. theta energy: -117.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1303.238225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.238225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.238225 (E_RNA) where: Base-Base interactions energy: -901.798 where: short stacking energy: -392.647 Base-Backbone interact. energy: -0.490 local terms energy: -400.949988 where: bonds (distance) C4'-P energy: -77.009 bonds (distance) P-C4' energy: -78.934 flat angles C4'-P-C4' energy: -83.775 flat angles P-C4'-P energy: -54.263 tors. eta vs tors. theta energy: -106.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1268.038842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.038842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.038842 (E_RNA) where: Base-Base interactions energy: -882.981 where: short stacking energy: -367.130 Base-Backbone interact. energy: -0.385 local terms energy: -384.672380 where: bonds (distance) C4'-P energy: -76.269 bonds (distance) P-C4' energy: -88.704 flat angles C4'-P-C4' energy: -81.785 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -89.856 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: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1181.826687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.826687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.826687 (E_RNA) where: Base-Base interactions energy: -793.991 where: short stacking energy: -338.014 Base-Backbone interact. energy: -1.470 local terms energy: -386.365930 where: bonds (distance) C4'-P energy: -74.583 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -86.645 flat angles P-C4'-P energy: -59.904 tors. eta vs tors. theta energy: -102.216 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: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1075.511816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.511816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.511816 (E_RNA) where: Base-Base interactions energy: -707.404 where: short stacking energy: -314.631 Base-Backbone interact. energy: -2.169 local terms energy: -365.939626 where: bonds (distance) C4'-P energy: -71.829 bonds (distance) P-C4' energy: -68.357 flat angles C4'-P-C4' energy: -82.802 flat angles P-C4'-P energy: -65.314 tors. eta vs tors. theta energy: -77.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -943.753786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.753786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.753786 (E_RNA) where: Base-Base interactions energy: -626.272 where: short stacking energy: -279.638 Base-Backbone interact. energy: 0.706 local terms energy: -318.188628 where: bonds (distance) C4'-P energy: -73.472 bonds (distance) P-C4' energy: -73.147 flat angles C4'-P-C4' energy: -65.929 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -59.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -720.416011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.416011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.416011 (E_RNA) where: Base-Base interactions energy: -452.566 where: short stacking energy: -217.908 Base-Backbone interact. energy: -2.344 local terms energy: -265.506142 where: bonds (distance) C4'-P energy: -73.225 bonds (distance) P-C4' energy: -70.065 flat angles C4'-P-C4' energy: -61.299 flat angles P-C4'-P energy: -40.991 tors. eta vs tors. theta energy: -19.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -431.699778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.699778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.699778 (E_RNA) where: Base-Base interactions energy: -213.032 where: short stacking energy: -125.269 Base-Backbone interact. energy: -2.537 local terms energy: -216.130403 where: bonds (distance) C4'-P energy: -58.414 bonds (distance) P-C4' energy: -70.857 flat angles C4'-P-C4' energy: -58.336 flat angles P-C4'-P energy: -28.563 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1561.807059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.807059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.807059 (E_RNA) where: Base-Base interactions energy: -1099.513 where: short stacking energy: -425.064 Base-Backbone interact. energy: -2.045 local terms energy: -460.249663 where: bonds (distance) C4'-P energy: -88.238 bonds (distance) P-C4' energy: -86.830 flat angles C4'-P-C4' energy: -95.731 flat angles P-C4'-P energy: -67.515 tors. eta vs tors. theta energy: -121.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1450.784826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.784826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.784826 (E_RNA) where: Base-Base interactions energy: -1025.621 where: short stacking energy: -419.539 Base-Backbone interact. energy: -0.787 local terms energy: -424.377142 where: bonds (distance) C4'-P energy: -84.666 bonds (distance) P-C4' energy: -72.477 flat angles C4'-P-C4' energy: -97.078 flat angles P-C4'-P energy: -56.326 tors. eta vs tors. theta energy: -113.831 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: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1441.766440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.766440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.766440 (E_RNA) where: Base-Base interactions energy: -1023.492 where: short stacking energy: -432.183 Base-Backbone interact. energy: -0.186 local terms energy: -418.089325 where: bonds (distance) C4'-P energy: -70.170 bonds (distance) P-C4' energy: -69.263 flat angles C4'-P-C4' energy: -91.732 flat angles P-C4'-P energy: -61.729 tors. eta vs tors. theta energy: -125.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1328.991095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.991095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.991095 (E_RNA) where: Base-Base interactions energy: -895.836 where: short stacking energy: -388.900 Base-Backbone interact. energy: -0.718 local terms energy: -432.436920 where: bonds (distance) C4'-P energy: -72.725 bonds (distance) P-C4' energy: -85.713 flat angles C4'-P-C4' energy: -100.630 flat angles P-C4'-P energy: -59.571 tors. eta vs tors. theta energy: -113.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1259.353621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.353621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.353621 (E_RNA) where: Base-Base interactions energy: -876.738 where: short stacking energy: -381.983 Base-Backbone interact. energy: -0.977 local terms energy: -381.637937 where: bonds (distance) C4'-P energy: -66.262 bonds (distance) P-C4' energy: -79.911 flat angles C4'-P-C4' energy: -83.959 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -99.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1160.592025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.592025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.592025 (E_RNA) where: Base-Base interactions energy: -798.963 where: short stacking energy: -344.793 Base-Backbone interact. energy: -1.565 local terms energy: -360.063050 where: bonds (distance) C4'-P energy: -77.320 bonds (distance) P-C4' energy: -66.962 flat angles C4'-P-C4' energy: -74.251 flat angles P-C4'-P energy: -55.128 tors. eta vs tors. theta energy: -86.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1028.163684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.163684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.163684 (E_RNA) where: Base-Base interactions energy: -681.852 where: short stacking energy: -288.095 Base-Backbone interact. energy: 8.519 local terms energy: -354.831565 where: bonds (distance) C4'-P energy: -71.839 bonds (distance) P-C4' energy: -76.202 flat angles C4'-P-C4' energy: -81.924 flat angles P-C4'-P energy: -53.717 tors. eta vs tors. theta energy: -71.149 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: 1 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -968.492168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.492168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.492168 (E_RNA) where: Base-Base interactions energy: -658.782 where: short stacking energy: -282.238 Base-Backbone interact. energy: 2.074 local terms energy: -311.784106 where: bonds (distance) C4'-P energy: -58.940 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -76.220 flat angles P-C4'-P energy: -50.002 tors. eta vs tors. theta energy: -55.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -746.914445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.914445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.914445 (E_RNA) where: Base-Base interactions energy: -458.564 where: short stacking energy: -228.533 Base-Backbone interact. energy: 0.697 local terms energy: -289.048157 where: bonds (distance) C4'-P energy: -70.680 bonds (distance) P-C4' energy: -70.289 flat angles C4'-P-C4' energy: -62.375 flat angles P-C4'-P energy: -43.229 tors. eta vs tors. theta energy: -42.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -457.377533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.377533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.377533 (E_RNA) where: Base-Base interactions energy: -217.589 where: short stacking energy: -124.617 Base-Backbone interact. energy: -0.757 local terms energy: -239.031956 where: bonds (distance) C4'-P energy: -62.706 bonds (distance) P-C4' energy: -84.030 flat angles C4'-P-C4' energy: -64.887 flat angles P-C4'-P energy: -33.057 tors. eta vs tors. theta energy: 5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1571.049327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.049327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.049327 (E_RNA) where: Base-Base interactions energy: -1110.089 where: short stacking energy: -428.477 Base-Backbone interact. energy: -2.229 local terms energy: -458.730620 where: bonds (distance) C4'-P energy: -82.587 bonds (distance) P-C4' energy: -93.705 flat angles C4'-P-C4' energy: -96.896 flat angles P-C4'-P energy: -63.540 tors. eta vs tors. theta energy: -122.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1459.344604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.344604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.344604 (E_RNA) where: Base-Base interactions energy: -1038.563 where: short stacking energy: -402.682 Base-Backbone interact. energy: -4.663 local terms energy: -416.118072 where: bonds (distance) C4'-P energy: -84.920 bonds (distance) P-C4' energy: -81.543 flat angles C4'-P-C4' energy: -91.179 flat angles P-C4'-P energy: -51.076 tors. eta vs tors. theta energy: -107.399 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: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1373.876603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.876603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.876603 (E_RNA) where: Base-Base interactions energy: -931.196 where: short stacking energy: -392.502 Base-Backbone interact. energy: 0.560 local terms energy: -443.240733 where: bonds (distance) C4'-P energy: -89.223 bonds (distance) P-C4' energy: -84.901 flat angles C4'-P-C4' energy: -92.429 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: -114.531 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: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1399.148252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.148252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.148252 (E_RNA) where: Base-Base interactions energy: -966.817 where: short stacking energy: -420.008 Base-Backbone interact. energy: -2.789 local terms energy: -429.542903 where: bonds (distance) C4'-P energy: -77.365 bonds (distance) P-C4' energy: -82.966 flat angles C4'-P-C4' energy: -89.069 flat angles P-C4'-P energy: -61.185 tors. eta vs tors. theta energy: -118.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1263.313420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.313420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.313420 (E_RNA) where: Base-Base interactions energy: -853.864 where: short stacking energy: -359.242 Base-Backbone interact. energy: -0.783 local terms energy: -408.666161 where: bonds (distance) C4'-P energy: -77.990 bonds (distance) P-C4' energy: -79.872 flat angles C4'-P-C4' energy: -85.424 flat angles P-C4'-P energy: -60.836 tors. eta vs tors. theta energy: -104.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1156.404100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.404100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.404100 (E_RNA) where: Base-Base interactions energy: -770.578 where: short stacking energy: -342.564 Base-Backbone interact. energy: -1.580 local terms energy: -384.245656 where: bonds (distance) C4'-P energy: -80.344 bonds (distance) P-C4' energy: -82.783 flat angles C4'-P-C4' energy: -80.963 flat angles P-C4'-P energy: -51.637 tors. eta vs tors. theta energy: -88.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1090.484297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.484297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.484297 (E_RNA) where: Base-Base interactions energy: -744.364 where: short stacking energy: -330.192 Base-Backbone interact. energy: 1.472 local terms energy: -347.593010 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -66.653 flat angles C4'-P-C4' energy: -82.779 flat angles P-C4'-P energy: -56.299 tors. eta vs tors. theta energy: -71.468 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: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -955.682942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.682942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.682942 (E_RNA) where: Base-Base interactions energy: -609.090 where: short stacking energy: -268.115 Base-Backbone interact. energy: -3.088 local terms energy: -343.505465 where: bonds (distance) C4'-P energy: -79.340 bonds (distance) P-C4' energy: -81.904 flat angles C4'-P-C4' energy: -74.993 flat angles P-C4'-P energy: -52.392 tors. eta vs tors. theta energy: -54.878 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: 9, replica: 2 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -721.523292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.523292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.523292 (E_RNA) where: Base-Base interactions energy: -431.817 where: short stacking energy: -212.190 Base-Backbone interact. energy: -0.723 local terms energy: -288.983131 where: bonds (distance) C4'-P energy: -60.822 bonds (distance) P-C4' energy: -70.901 flat angles C4'-P-C4' energy: -59.923 flat angles P-C4'-P energy: -58.047 tors. eta vs tors. theta energy: -39.290 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: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -466.003962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.003962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.003962 (E_RNA) where: Base-Base interactions energy: -231.009 where: short stacking energy: -128.525 Base-Backbone interact. energy: 0.916 local terms energy: -235.910704 where: bonds (distance) C4'-P energy: -70.404 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -65.802 flat angles P-C4'-P energy: -32.950 tors. eta vs tors. theta energy: 2.937 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: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1574.934855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.934855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.934855 (E_RNA) where: Base-Base interactions energy: -1122.931 where: short stacking energy: -436.247 Base-Backbone interact. energy: -2.495 local terms energy: -449.509078 where: bonds (distance) C4'-P energy: -77.880 bonds (distance) P-C4' energy: -80.881 flat angles C4'-P-C4' energy: -100.066 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -126.123 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: 10 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1464.260528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.260528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.260528 (E_RNA) where: Base-Base interactions energy: -1044.158 where: short stacking energy: -427.546 Base-Backbone interact. energy: -2.008 local terms energy: -418.094802 where: bonds (distance) C4'-P energy: -71.951 bonds (distance) P-C4' energy: -76.132 flat angles C4'-P-C4' energy: -92.493 flat angles P-C4'-P energy: -65.970 tors. eta vs tors. theta energy: -111.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1373.884106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.884106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.884106 (E_RNA) where: Base-Base interactions energy: -944.323 where: short stacking energy: -393.334 Base-Backbone interact. energy: -1.576 local terms energy: -427.985270 where: bonds (distance) C4'-P energy: -80.583 bonds (distance) P-C4' energy: -93.018 flat angles C4'-P-C4' energy: -93.403 flat angles P-C4'-P energy: -55.079 tors. eta vs tors. theta energy: -105.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1373.033712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.033712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.033712 (E_RNA) where: Base-Base interactions energy: -940.145 where: short stacking energy: -416.930 Base-Backbone interact. energy: 2.381 local terms energy: -435.269320 where: bonds (distance) C4'-P energy: -83.630 bonds (distance) P-C4' energy: -89.587 flat angles C4'-P-C4' energy: -95.498 flat angles P-C4'-P energy: -52.925 tors. eta vs tors. theta energy: -113.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1227.270066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.270066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.270066 (E_RNA) where: Base-Base interactions energy: -846.695 where: short stacking energy: -395.630 Base-Backbone interact. energy: 1.600 local terms energy: -382.174836 where: bonds (distance) C4'-P energy: -68.283 bonds (distance) P-C4' energy: -69.296 flat angles C4'-P-C4' energy: -85.299 flat angles P-C4'-P energy: -59.939 tors. eta vs tors. theta energy: -99.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1139.527110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.527110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.527110 (E_RNA) where: Base-Base interactions energy: -775.225 where: short stacking energy: -320.427 Base-Backbone interact. energy: 1.174 local terms energy: -365.475694 where: bonds (distance) C4'-P energy: -76.678 bonds (distance) P-C4' energy: -75.869 flat angles C4'-P-C4' energy: -73.134 flat angles P-C4'-P energy: -48.802 tors. eta vs tors. theta energy: -90.992 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: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1085.428821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.428821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.428821 (E_RNA) where: Base-Base interactions energy: -719.958 where: short stacking energy: -339.403 Base-Backbone interact. energy: -0.868 local terms energy: -364.602545 where: bonds (distance) C4'-P energy: -70.603 bonds (distance) P-C4' energy: -81.346 flat angles C4'-P-C4' energy: -83.968 flat angles P-C4'-P energy: -44.647 tors. eta vs tors. theta energy: -84.038 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: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -963.718303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.718303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.718303 (E_RNA) where: Base-Base interactions energy: -646.717 where: short stacking energy: -301.040 Base-Backbone interact. energy: 1.408 local terms energy: -318.409665 where: bonds (distance) C4'-P energy: -61.551 bonds (distance) P-C4' energy: -71.639 flat angles C4'-P-C4' energy: -62.067 flat angles P-C4'-P energy: -53.500 tors. eta vs tors. theta energy: -69.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -786.333114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.333114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.333114 (E_RNA) where: Base-Base interactions energy: -483.999 where: short stacking energy: -237.360 Base-Backbone interact. energy: -2.551 local terms energy: -299.783468 where: bonds (distance) C4'-P energy: -76.145 bonds (distance) P-C4' energy: -70.914 flat angles C4'-P-C4' energy: -65.350 flat angles P-C4'-P energy: -42.610 tors. eta vs tors. theta energy: -44.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -374.223925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.223925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.223925 (E_RNA) where: Base-Base interactions energy: -150.454 where: short stacking energy: -110.828 Base-Backbone interact. energy: -2.413 local terms energy: -221.356823 where: bonds (distance) C4'-P energy: -62.476 bonds (distance) P-C4' energy: -85.268 flat angles C4'-P-C4' energy: -58.967 flat angles P-C4'-P energy: -34.458 tors. eta vs tors. theta energy: 19.812 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: 7 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1568.759111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.759111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.759111 (E_RNA) where: Base-Base interactions energy: -1114.034 where: short stacking energy: -444.394 Base-Backbone interact. energy: -1.075 local terms energy: -453.650032 where: bonds (distance) C4'-P energy: -91.187 bonds (distance) P-C4' energy: -92.417 flat angles C4'-P-C4' energy: -99.715 flat angles P-C4'-P energy: -46.698 tors. eta vs tors. theta energy: -123.633 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: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1438.807564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.807564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.807564 (E_RNA) where: Base-Base interactions energy: -1027.258 where: short stacking energy: -404.178 Base-Backbone interact. energy: 1.187 local terms energy: -412.736350 where: bonds (distance) C4'-P energy: -84.599 bonds (distance) P-C4' energy: -86.044 flat angles C4'-P-C4' energy: -96.183 flat angles P-C4'-P energy: -47.610 tors. eta vs tors. theta energy: -98.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1380.499386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.499386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.499386 (E_RNA) where: Base-Base interactions energy: -960.847 where: short stacking energy: -394.952 Base-Backbone interact. energy: -0.795 local terms energy: -418.857526 where: bonds (distance) C4'-P energy: -77.194 bonds (distance) P-C4' energy: -85.876 flat angles C4'-P-C4' energy: -86.404 flat angles P-C4'-P energy: -64.387 tors. eta vs tors. theta energy: -104.997 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: 4, replica: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1340.845790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.845790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.845790 (E_RNA) where: Base-Base interactions energy: -918.584 where: short stacking energy: -412.807 Base-Backbone interact. energy: -0.679 local terms energy: -421.582633 where: bonds (distance) C4'-P energy: -84.941 bonds (distance) P-C4' energy: -78.853 flat angles C4'-P-C4' energy: -87.799 flat angles P-C4'-P energy: -58.379 tors. eta vs tors. theta energy: -111.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1234.809333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.809333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.809333 (E_RNA) where: Base-Base interactions energy: -834.148 where: short stacking energy: -359.408 Base-Backbone interact. energy: -0.120 local terms energy: -400.541413 where: bonds (distance) C4'-P energy: -68.917 bonds (distance) P-C4' energy: -81.388 flat angles C4'-P-C4' energy: -88.867 flat angles P-C4'-P energy: -59.998 tors. eta vs tors. theta energy: -101.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1119.436961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.436961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.436961 (E_RNA) where: Base-Base interactions energy: -734.538 where: short stacking energy: -316.806 Base-Backbone interact. energy: -0.901 local terms energy: -383.998713 where: bonds (distance) C4'-P energy: -78.674 bonds (distance) P-C4' energy: -83.590 flat angles C4'-P-C4' energy: -91.406 flat angles P-C4'-P energy: -54.514 tors. eta vs tors. theta energy: -75.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1083.953590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.953590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.953590 (E_RNA) where: Base-Base interactions energy: -720.095 where: short stacking energy: -314.669 Base-Backbone interact. energy: -0.420 local terms energy: -363.438882 where: bonds (distance) C4'-P energy: -62.811 bonds (distance) P-C4' energy: -78.930 flat angles C4'-P-C4' energy: -81.143 flat angles P-C4'-P energy: -64.290 tors. eta vs tors. theta energy: -76.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1047.436490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.436490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.436490 (E_RNA) where: Base-Base interactions energy: -690.561 where: short stacking energy: -297.608 Base-Backbone interact. energy: -0.686 local terms energy: -356.189829 where: bonds (distance) C4'-P energy: -74.468 bonds (distance) P-C4' energy: -80.868 flat angles C4'-P-C4' energy: -74.717 flat angles P-C4'-P energy: -54.509 tors. eta vs tors. theta energy: -71.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -730.349702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.349702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.349702 (E_RNA) where: Base-Base interactions energy: -455.321 where: short stacking energy: -219.174 Base-Backbone interact. energy: -1.060 local terms energy: -273.968931 where: bonds (distance) C4'-P energy: -62.114 bonds (distance) P-C4' energy: -79.708 flat angles C4'-P-C4' energy: -65.765 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -24.160 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: 484 Temperature: 1.350000 Total energy: -325.719044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.719044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.719044 (E_RNA) where: Base-Base interactions energy: -108.510 where: short stacking energy: -86.351 Base-Backbone interact. energy: -0.881 local terms energy: -216.328409 where: bonds (distance) C4'-P energy: -62.038 bonds (distance) P-C4' energy: -74.651 flat angles C4'-P-C4' energy: -52.106 flat angles P-C4'-P energy: -42.554 tors. eta vs tors. theta energy: 15.020 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: 7 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1562.264437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.264437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.264437 (E_RNA) where: Base-Base interactions energy: -1118.963 where: short stacking energy: -420.289 Base-Backbone interact. energy: -0.923 local terms energy: -442.378398 where: bonds (distance) C4'-P energy: -81.696 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -96.359 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -123.748 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: 485 Temperature: 0.950000 Total energy: -1446.813900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.813900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.813900 (E_RNA) where: Base-Base interactions energy: -1009.469 where: short stacking energy: -410.871 Base-Backbone interact. energy: 1.788 local terms energy: -439.133399 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -89.104 flat angles C4'-P-C4' energy: -98.094 flat angles P-C4'-P energy: -57.694 tors. eta vs tors. theta energy: -110.023 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: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1368.238070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.238070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.238070 (E_RNA) where: Base-Base interactions energy: -941.911 where: short stacking energy: -388.691 Base-Backbone interact. energy: -1.305 local terms energy: -425.022087 where: bonds (distance) C4'-P energy: -74.122 bonds (distance) P-C4' energy: -87.002 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -66.194 tors. eta vs tors. theta energy: -110.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1356.472605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.472605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.472605 (E_RNA) where: Base-Base interactions energy: -929.623 where: short stacking energy: -419.087 Base-Backbone interact. energy: -2.640 local terms energy: -424.209839 where: bonds (distance) C4'-P energy: -71.590 bonds (distance) P-C4' energy: -84.568 flat angles C4'-P-C4' energy: -95.552 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -118.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1245.931950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.931950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.931950 (E_RNA) where: Base-Base interactions energy: -853.892 where: short stacking energy: -370.793 Base-Backbone interact. energy: -3.293 local terms energy: -388.746236 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -79.820 flat angles C4'-P-C4' energy: -98.869 flat angles P-C4'-P energy: -56.442 tors. eta vs tors. theta energy: -90.262 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: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1147.208539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.208539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.208539 (E_RNA) where: Base-Base interactions energy: -786.000 where: short stacking energy: -358.722 Base-Backbone interact. energy: -2.256 local terms energy: -358.952792 where: bonds (distance) C4'-P energy: -80.505 bonds (distance) P-C4' energy: -67.605 flat angles C4'-P-C4' energy: -68.286 flat angles P-C4'-P energy: -56.387 tors. eta vs tors. theta energy: -86.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1076.613662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.613662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.613662 (E_RNA) where: Base-Base interactions energy: -715.918 where: short stacking energy: -325.406 Base-Backbone interact. energy: -2.165 local terms energy: -358.531484 where: bonds (distance) C4'-P energy: -69.106 bonds (distance) P-C4' energy: -76.697 flat angles C4'-P-C4' energy: -76.463 flat angles P-C4'-P energy: -55.981 tors. eta vs tors. theta energy: -80.285 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: 485 Temperature: 1.250000 Total energy: -1032.803923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.803923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.803923 (E_RNA) where: Base-Base interactions energy: -698.415 where: short stacking energy: -324.404 Base-Backbone interact. energy: -2.677 local terms energy: -331.711906 where: bonds (distance) C4'-P energy: -63.899 bonds (distance) P-C4' energy: -78.479 flat angles C4'-P-C4' energy: -77.835 flat angles P-C4'-P energy: -43.039 tors. eta vs tors. theta energy: -68.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -706.104573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.104573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.104573 (E_RNA) where: Base-Base interactions energy: -432.403 where: short stacking energy: -211.810 Base-Backbone interact. energy: 1.617 local terms energy: -275.319048 where: bonds (distance) C4'-P energy: -65.208 bonds (distance) P-C4' energy: -75.657 flat angles C4'-P-C4' energy: -60.102 flat angles P-C4'-P energy: -39.874 tors. eta vs tors. theta energy: -34.479 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: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -375.263914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.263914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.263914 (E_RNA) where: Base-Base interactions energy: -146.810 where: short stacking energy: -98.490 Base-Backbone interact. energy: -1.633 local terms energy: -226.821541 where: bonds (distance) C4'-P energy: -83.598 bonds (distance) P-C4' energy: -79.243 flat angles C4'-P-C4' energy: -53.527 flat angles P-C4'-P energy: -23.578 tors. eta vs tors. theta energy: 13.124 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) out arg RESULTS//1/fdfdf-adf05f5e_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE