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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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/E-bf928ecd/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/E-bf928ecd/inputs/seq.fa: 1 curr_seq: _ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAUAUACAUCAAUCAGUUUUGUCGUGAUCAAUUAGUAAAUAUUAUUUUAAAGAAAGAAGAAACAUGGUAUUUAAAAGGAGGGCGAAGGUGUUGGAAACCUAAUUAAUUAAGGUGCUCGAUCUGCU 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 127 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: 640 n_atoms_counter: 640 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 127.000000 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: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -508.280249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.280249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.280249 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -494.476790 where: bonds (distance) C4'-P energy: -123.390 bonds (distance) P-C4' energy: -114.515 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -56.660 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -631.255993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.255993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.255993 (E_RNA) where: Base-Base interactions energy: -242.548 where: short stacking energy: -242.315 Base-Backbone interact. energy: -0.205 local terms energy: -388.503630 where: bonds (distance) C4'-P energy: -79.306 bonds (distance) P-C4' energy: -84.904 flat angles C4'-P-C4' energy: -91.136 flat angles P-C4'-P energy: -58.694 tors. eta vs tors. theta energy: -74.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -572.273996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.273996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.273996 (E_RNA) where: Base-Base interactions energy: -241.521 where: short stacking energy: -233.451 Base-Backbone interact. energy: -0.100 local terms energy: -330.652695 where: bonds (distance) C4'-P energy: -68.445 bonds (distance) P-C4' energy: -86.932 flat angles C4'-P-C4' energy: -79.511 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: -45.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -575.237713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.237713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.237713 (E_RNA) where: Base-Base interactions energy: -239.393 where: short stacking energy: -215.028 Base-Backbone interact. energy: 0.515 local terms energy: -336.359492 where: bonds (distance) C4'-P energy: -68.175 bonds (distance) P-C4' energy: -92.859 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -52.562 tors. eta vs tors. theta energy: -51.106 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -507.610722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.610722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.610722 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -13.474 Base-Backbone interact. energy: -0.000 local terms energy: -494.136634 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -114.509 flat angles C4'-P-C4' energy: -92.950 flat angles P-C4'-P energy: -106.590 tors. eta vs tors. theta energy: -56.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -507.610844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.610844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.610844 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -13.474 Base-Backbone interact. energy: -0.000 local terms energy: -494.136634 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -114.509 flat angles C4'-P-C4' energy: -92.950 flat angles P-C4'-P energy: -106.590 tors. eta vs tors. theta energy: -56.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -507.656624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.656624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.656624 (E_RNA) where: Base-Base interactions energy: -44.155 where: short stacking energy: -44.155 Base-Backbone interact. energy: -0.000 local terms energy: -463.501264 where: bonds (distance) C4'-P energy: -110.660 bonds (distance) P-C4' energy: -100.142 flat angles C4'-P-C4' energy: -91.213 flat angles P-C4'-P energy: -101.545 tors. eta vs tors. theta energy: -59.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -507.360137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.360137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.360137 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -13.474 Base-Backbone interact. energy: -0.000 local terms energy: -493.885723 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -114.509 flat angles C4'-P-C4' energy: -92.662 flat angles P-C4'-P energy: -106.627 tors. eta vs tors. theta energy: -56.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -507.141584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.141584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.141584 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.000 local terms energy: -493.885723 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -114.509 flat angles C4'-P-C4' energy: -92.662 flat angles P-C4'-P energy: -106.627 tors. eta vs tors. theta energy: -56.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -507.141639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.141639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.141639 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.000 local terms energy: -493.885723 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -114.509 flat angles C4'-P-C4' energy: -92.662 flat angles P-C4'-P energy: -106.627 tors. eta vs tors. theta energy: -56.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -507.871830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.871830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.871830 (E_RNA) where: Base-Base interactions energy: -20.117 where: short stacking energy: -20.117 Base-Backbone interact. energy: -0.000 local terms energy: -487.754767 where: bonds (distance) C4'-P energy: -120.207 bonds (distance) P-C4' energy: -110.565 flat angles C4'-P-C4' energy: -92.916 flat angles P-C4'-P energy: -106.028 tors. eta vs tors. theta energy: -58.039 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -691.017243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.017243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.017243 (E_RNA) where: Base-Base interactions energy: -339.904 where: short stacking energy: -288.327 Base-Backbone interact. energy: -1.181 local terms energy: -349.931812 where: bonds (distance) C4'-P energy: -74.354 bonds (distance) P-C4' energy: -81.390 flat angles C4'-P-C4' energy: -81.084 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: -56.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -688.580275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.580275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.580275 (E_RNA) where: Base-Base interactions energy: -341.322 where: short stacking energy: -250.899 Base-Backbone interact. energy: -2.583 local terms energy: -344.675285 where: bonds (distance) C4'-P energy: -86.353 bonds (distance) P-C4' energy: -71.070 flat angles C4'-P-C4' energy: -84.282 flat angles P-C4'-P energy: -52.393 tors. eta vs tors. theta energy: -50.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -553.101895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.101895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.101895 (E_RNA) where: Base-Base interactions energy: -247.022 where: short stacking energy: -198.717 Base-Backbone interact. energy: -1.567 local terms energy: -304.512381 where: bonds (distance) C4'-P energy: -72.960 bonds (distance) P-C4' energy: -75.838 flat angles C4'-P-C4' energy: -76.789 flat angles P-C4'-P energy: -53.564 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: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -539.405242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.405242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.405242 (E_RNA) where: Base-Base interactions energy: -246.163 where: short stacking energy: -190.565 Base-Backbone interact. energy: 0.507 local terms energy: -293.749318 where: bonds (distance) C4'-P energy: -77.793 bonds (distance) P-C4' energy: -61.235 flat angles C4'-P-C4' energy: -65.853 flat angles P-C4'-P energy: -51.441 tors. eta vs tors. theta energy: -37.426 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -481.374037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.374037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.374037 (E_RNA) where: Base-Base interactions energy: -207.599 where: short stacking energy: -160.674 Base-Backbone interact. energy: -0.238 local terms energy: -273.536746 where: bonds (distance) C4'-P energy: -65.760 bonds (distance) P-C4' energy: -77.153 flat angles C4'-P-C4' energy: -66.487 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: -14.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -406.371390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.371390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.371390 (E_RNA) where: Base-Base interactions energy: -153.350 where: short stacking energy: -112.759 Base-Backbone interact. energy: -1.458 local terms energy: -251.562864 where: bonds (distance) C4'-P energy: -62.693 bonds (distance) P-C4' energy: -81.551 flat angles C4'-P-C4' energy: -47.386 flat angles P-C4'-P energy: -54.593 tors. eta vs tors. theta energy: -5.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -406.128374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.128374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.128374 (E_RNA) where: Base-Base interactions energy: -156.807 where: short stacking energy: -129.884 Base-Backbone interact. energy: -1.344 local terms energy: -247.976976 where: bonds (distance) C4'-P energy: -77.411 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -54.870 flat angles P-C4'-P energy: -27.822 tors. eta vs tors. theta energy: -8.154 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -402.623023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.623023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.623023 (E_RNA) where: Base-Base interactions energy: -158.085 where: short stacking energy: -125.217 Base-Backbone interact. energy: 2.313 local terms energy: -246.851639 where: bonds (distance) C4'-P energy: -62.789 bonds (distance) P-C4' energy: -71.224 flat angles C4'-P-C4' energy: -61.864 flat angles P-C4'-P energy: -39.228 tors. eta vs tors. theta energy: -11.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -343.679588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.679588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.679588 (E_RNA) where: Base-Base interactions energy: -135.716 where: short stacking energy: -116.873 Base-Backbone interact. energy: 0.920 local terms energy: -208.884115 where: bonds (distance) C4'-P energy: -69.235 bonds (distance) P-C4' energy: -67.145 flat angles C4'-P-C4' energy: -61.600 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -1.767 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -329.357760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.357760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.357760 (E_RNA) where: Base-Base interactions energy: -120.087 where: short stacking energy: -98.825 Base-Backbone interact. energy: 1.594 local terms energy: -210.865416 where: bonds (distance) C4'-P energy: -70.705 bonds (distance) P-C4' energy: -54.591 flat angles C4'-P-C4' energy: -49.912 flat angles P-C4'-P energy: -31.771 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -743.519998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.519998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.519998 (E_RNA) where: Base-Base interactions energy: -372.335 where: short stacking energy: -261.122 Base-Backbone interact. energy: -0.628 local terms energy: -370.556373 where: bonds (distance) C4'-P energy: -81.165 bonds (distance) P-C4' energy: -88.110 flat angles C4'-P-C4' energy: -81.551 flat angles P-C4'-P energy: -54.660 tors. eta vs tors. theta energy: -65.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -710.601562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.601562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.601562 (E_RNA) where: Base-Base interactions energy: -357.601 where: short stacking energy: -234.815 Base-Backbone interact. energy: -2.260 local terms energy: -350.740468 where: bonds (distance) C4'-P energy: -73.429 bonds (distance) P-C4' energy: -76.631 flat angles C4'-P-C4' energy: -83.831 flat angles P-C4'-P energy: -62.082 tors. eta vs tors. theta energy: -54.768 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: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -624.941552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.941552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.941552 (E_RNA) where: Base-Base interactions energy: -303.239 where: short stacking energy: -235.670 Base-Backbone interact. energy: 0.954 local terms energy: -322.656965 where: bonds (distance) C4'-P energy: -73.492 bonds (distance) P-C4' energy: -76.247 flat angles C4'-P-C4' energy: -70.084 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -50.837 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: 4 Temperature: 1.050000 Total energy: -673.719878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.719878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.719878 (E_RNA) where: Base-Base interactions energy: -338.507 where: short stacking energy: -203.131 Base-Backbone interact. energy: -2.469 local terms energy: -332.743908 where: bonds (distance) C4'-P energy: -81.551 bonds (distance) P-C4' energy: -83.362 flat angles C4'-P-C4' energy: -73.473 flat angles P-C4'-P energy: -50.406 tors. eta vs tors. theta energy: -43.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -486.311011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.311011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.311011 (E_RNA) where: Base-Base interactions energy: -205.783 where: short stacking energy: -137.185 Base-Backbone interact. energy: -0.513 local terms energy: -280.014960 where: bonds (distance) C4'-P energy: -63.003 bonds (distance) P-C4' energy: -80.938 flat angles C4'-P-C4' energy: -68.632 flat angles P-C4'-P energy: -45.899 tors. eta vs tors. theta energy: -21.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -437.133913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.133913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.133913 (E_RNA) where: Base-Base interactions energy: -190.265 where: short stacking energy: -161.910 Base-Backbone interact. energy: -1.336 local terms energy: -245.532069 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -76.644 flat angles C4'-P-C4' energy: -78.606 flat angles P-C4'-P energy: -31.384 tors. eta vs tors. theta energy: 1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -406.881414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.881414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.881414 (E_RNA) where: Base-Base interactions energy: -158.367 where: short stacking energy: -117.191 Base-Backbone interact. energy: -2.241 local terms energy: -246.273288 where: bonds (distance) C4'-P energy: -70.418 bonds (distance) P-C4' energy: -73.686 flat angles C4'-P-C4' energy: -58.954 flat angles P-C4'-P energy: -37.656 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -361.983970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.983970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.983970 (E_RNA) where: Base-Base interactions energy: -131.106 where: short stacking energy: -100.029 Base-Backbone interact. energy: 6.164 local terms energy: -237.042071 where: bonds (distance) C4'-P energy: -78.265 bonds (distance) P-C4' energy: -65.874 flat angles C4'-P-C4' energy: -58.445 flat angles P-C4'-P energy: -33.117 tors. eta vs tors. theta energy: -1.341 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: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -346.192579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.192579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.192579 (E_RNA) where: Base-Base interactions energy: -120.989 where: short stacking energy: -99.308 Base-Backbone interact. energy: 6.350 local terms energy: -231.554419 where: bonds (distance) C4'-P energy: -62.678 bonds (distance) P-C4' energy: -62.940 flat angles C4'-P-C4' energy: -72.030 flat angles P-C4'-P energy: -29.458 tors. eta vs tors. theta energy: -4.449 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -304.492565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.492565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.492565 (E_RNA) where: Base-Base interactions energy: -113.876 where: short stacking energy: -80.260 Base-Backbone interact. energy: 7.815 local terms energy: -198.431524 where: bonds (distance) C4'-P energy: -77.984 bonds (distance) P-C4' energy: -61.035 flat angles C4'-P-C4' energy: -65.180 flat angles P-C4'-P energy: -14.344 tors. eta vs tors. theta energy: 20.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -797.348506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.348506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.348506 (E_RNA) where: Base-Base interactions energy: -429.236 where: short stacking energy: -280.888 Base-Backbone interact. energy: -0.976 local terms energy: -367.136864 where: bonds (distance) C4'-P energy: -84.914 bonds (distance) P-C4' energy: -83.657 flat angles C4'-P-C4' energy: -80.362 flat angles P-C4'-P energy: -49.593 tors. eta vs tors. theta energy: -68.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -768.689881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.689881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.689881 (E_RNA) where: Base-Base interactions energy: -418.523 where: short stacking energy: -249.068 Base-Backbone interact. energy: -1.093 local terms energy: -349.073637 where: bonds (distance) C4'-P energy: -74.826 bonds (distance) P-C4' energy: -72.707 flat angles C4'-P-C4' energy: -88.792 flat angles P-C4'-P energy: -55.908 tors. eta vs tors. theta energy: -56.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -650.956225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.956225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.956225 (E_RNA) where: Base-Base interactions energy: -307.173 where: short stacking energy: -219.279 Base-Backbone interact. energy: -0.703 local terms energy: -343.080828 where: bonds (distance) C4'-P energy: -77.745 bonds (distance) P-C4' energy: -79.581 flat angles C4'-P-C4' energy: -78.419 flat angles P-C4'-P energy: -47.709 tors. eta vs tors. theta energy: -59.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -677.296772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.296772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.296772 (E_RNA) where: Base-Base interactions energy: -375.286 where: short stacking energy: -198.132 Base-Backbone interact. energy: 2.703 local terms energy: -304.714285 where: bonds (distance) C4'-P energy: -74.351 bonds (distance) P-C4' energy: -77.730 flat angles C4'-P-C4' energy: -68.257 flat angles P-C4'-P energy: -45.565 tors. eta vs tors. theta energy: -38.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -600.257470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.257470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.257470 (E_RNA) where: Base-Base interactions energy: -296.313 where: short stacking energy: -163.820 Base-Backbone interact. energy: 2.512 local terms energy: -306.456843 where: bonds (distance) C4'-P energy: -80.976 bonds (distance) P-C4' energy: -81.944 flat angles C4'-P-C4' energy: -71.544 flat angles P-C4'-P energy: -48.635 tors. eta vs tors. theta energy: -23.357 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: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -484.352416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.352416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.352416 (E_RNA) where: Base-Base interactions energy: -233.017 where: short stacking energy: -167.848 Base-Backbone interact. energy: -0.376 local terms energy: -250.959323 where: bonds (distance) C4'-P energy: -78.759 bonds (distance) P-C4' energy: -65.513 flat angles C4'-P-C4' energy: -66.445 flat angles P-C4'-P energy: -28.696 tors. eta vs tors. theta energy: -11.545 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: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -402.328797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.328797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.328797 (E_RNA) where: Base-Base interactions energy: -166.413 where: short stacking energy: -131.576 Base-Backbone interact. energy: -1.902 local terms energy: -234.014075 where: bonds (distance) C4'-P energy: -66.935 bonds (distance) P-C4' energy: -67.601 flat angles C4'-P-C4' energy: -70.728 flat angles P-C4'-P energy: -29.291 tors. eta vs tors. theta energy: 0.540 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: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -389.856662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.856662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.856662 (E_RNA) where: Base-Base interactions energy: -177.620 where: short stacking energy: -100.316 Base-Backbone interact. energy: 0.637 local terms energy: -212.873396 where: bonds (distance) C4'-P energy: -67.260 bonds (distance) P-C4' energy: -69.600 flat angles C4'-P-C4' energy: -63.618 flat angles P-C4'-P energy: -28.538 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: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -375.774494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.774494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.774494 (E_RNA) where: Base-Base interactions energy: -153.341 where: short stacking energy: -89.963 Base-Backbone interact. energy: 5.429 local terms energy: -227.862534 where: bonds (distance) C4'-P energy: -67.392 bonds (distance) P-C4' energy: -77.458 flat angles C4'-P-C4' energy: -44.257 flat angles P-C4'-P energy: -39.850 tors. eta vs tors. theta energy: 1.094 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -322.687196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.687196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.687196 (E_RNA) where: Base-Base interactions energy: -134.957 where: short stacking energy: -83.080 Base-Backbone interact. energy: -2.034 local terms energy: -185.696154 where: bonds (distance) C4'-P energy: -59.887 bonds (distance) P-C4' energy: -75.677 flat angles C4'-P-C4' energy: -45.046 flat angles P-C4'-P energy: -20.074 tors. eta vs tors. theta energy: 14.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -834.331387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.331387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.331387 (E_RNA) where: Base-Base interactions energy: -473.560 where: short stacking energy: -265.020 Base-Backbone interact. energy: -0.559 local terms energy: -360.213241 where: bonds (distance) C4'-P energy: -80.326 bonds (distance) P-C4' energy: -73.742 flat angles C4'-P-C4' energy: -80.847 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -71.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -800.129369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.129369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.129369 (E_RNA) where: Base-Base interactions energy: -457.966 where: short stacking energy: -267.234 Base-Backbone interact. energy: -1.661 local terms energy: -340.501966 where: bonds (distance) C4'-P energy: -87.063 bonds (distance) P-C4' energy: -79.918 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -44.741 tors. eta vs tors. theta energy: -48.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -785.844838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.844838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.844838 (E_RNA) where: Base-Base interactions energy: -438.262 where: short stacking energy: -212.229 Base-Backbone interact. energy: -0.608 local terms energy: -346.974449 where: bonds (distance) C4'-P energy: -74.264 bonds (distance) P-C4' energy: -86.283 flat angles C4'-P-C4' energy: -83.570 flat angles P-C4'-P energy: -50.115 tors. eta vs tors. theta energy: -52.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -651.918116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.918116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.918116 (E_RNA) where: Base-Base interactions energy: -340.089 where: short stacking energy: -222.705 Base-Backbone interact. energy: -2.638 local terms energy: -309.191114 where: bonds (distance) C4'-P energy: -63.431 bonds (distance) P-C4' energy: -74.145 flat angles C4'-P-C4' energy: -80.461 flat angles P-C4'-P energy: -49.607 tors. eta vs tors. theta energy: -41.548 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: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -657.274086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.274086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.274086 (E_RNA) where: Base-Base interactions energy: -331.402 where: short stacking energy: -198.111 Base-Backbone interact. energy: -1.590 local terms energy: -324.282223 where: bonds (distance) C4'-P energy: -68.408 bonds (distance) P-C4' energy: -77.671 flat angles C4'-P-C4' energy: -74.004 flat angles P-C4'-P energy: -64.139 tors. eta vs tors. theta energy: -40.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -499.508733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.508733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.508733 (E_RNA) where: Base-Base interactions energy: -254.241 where: short stacking energy: -167.219 Base-Backbone interact. energy: -3.172 local terms energy: -242.095414 where: bonds (distance) C4'-P energy: -56.742 bonds (distance) P-C4' energy: -74.610 flat angles C4'-P-C4' energy: -59.848 flat angles P-C4'-P energy: -40.491 tors. eta vs tors. theta energy: -10.405 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: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -399.325432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.325432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.325432 (E_RNA) where: Base-Base interactions energy: -163.055 where: short stacking energy: -124.916 Base-Backbone interact. energy: 1.106 local terms energy: -237.376226 where: bonds (distance) C4'-P energy: -62.411 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -67.682 flat angles P-C4'-P energy: -43.118 tors. eta vs tors. theta energy: -5.170 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: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -433.699088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.699088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.699088 (E_RNA) where: Base-Base interactions energy: -196.396 where: short stacking energy: -114.259 Base-Backbone interact. energy: 1.956 local terms energy: -239.258662 where: bonds (distance) C4'-P energy: -73.929 bonds (distance) P-C4' energy: -69.049 flat angles C4'-P-C4' energy: -59.274 flat angles P-C4'-P energy: -40.509 tors. eta vs tors. theta energy: 3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -368.891857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.891857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.891857 (E_RNA) where: Base-Base interactions energy: -150.488 where: short stacking energy: -98.530 Base-Backbone interact. energy: -0.766 local terms energy: -217.637995 where: bonds (distance) C4'-P energy: -56.049 bonds (distance) P-C4' energy: -71.599 flat angles C4'-P-C4' energy: -62.202 flat angles P-C4'-P energy: -37.391 tors. eta vs tors. theta energy: 9.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -347.874406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.874406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.874406 (E_RNA) where: Base-Base interactions energy: -142.866 where: short stacking energy: -100.793 Base-Backbone interact. energy: 2.597 local terms energy: -207.605966 where: bonds (distance) C4'-P energy: -70.793 bonds (distance) P-C4' energy: -61.143 flat angles C4'-P-C4' energy: -43.391 flat angles P-C4'-P energy: -45.391 tors. eta vs tors. theta energy: 13.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -851.469793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.469793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.469793 (E_RNA) where: Base-Base interactions energy: -489.205 where: short stacking energy: -278.879 Base-Backbone interact. energy: -1.114 local terms energy: -361.150571 where: bonds (distance) C4'-P energy: -83.831 bonds (distance) P-C4' energy: -86.873 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -49.471 tors. eta vs tors. theta energy: -64.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -873.869978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.869978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.869978 (E_RNA) where: Base-Base interactions energy: -521.377 where: short stacking energy: -249.724 Base-Backbone interact. energy: 1.279 local terms energy: -353.772423 where: bonds (distance) C4'-P energy: -89.247 bonds (distance) P-C4' energy: -74.290 flat angles C4'-P-C4' energy: -86.431 flat angles P-C4'-P energy: -45.733 tors. eta vs tors. theta energy: -58.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -795.582287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.582287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.582287 (E_RNA) where: Base-Base interactions energy: -478.510 where: short stacking energy: -217.816 Base-Backbone interact. energy: -2.121 local terms energy: -314.950891 where: bonds (distance) C4'-P energy: -64.405 bonds (distance) P-C4' energy: -81.354 flat angles C4'-P-C4' energy: -85.706 flat angles P-C4'-P energy: -32.241 tors. eta vs tors. theta energy: -51.245 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: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -707.291229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.291229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.291229 (E_RNA) where: Base-Base interactions energy: -406.170 where: short stacking energy: -214.102 Base-Backbone interact. energy: -0.358 local terms energy: -300.763618 where: bonds (distance) C4'-P energy: -66.536 bonds (distance) P-C4' energy: -80.205 flat angles C4'-P-C4' energy: -64.172 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -50.541 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: 5, replica: 6 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -635.350138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.350138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.350138 (E_RNA) where: Base-Base interactions energy: -343.254 where: short stacking energy: -203.765 Base-Backbone interact. energy: 0.723 local terms energy: -292.819413 where: bonds (distance) C4'-P energy: -71.263 bonds (distance) P-C4' energy: -74.007 flat angles C4'-P-C4' energy: -72.895 flat angles P-C4'-P energy: -29.677 tors. eta vs tors. theta energy: -44.978 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: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -445.406765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.406765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.406765 (E_RNA) where: Base-Base interactions energy: -198.786 where: short stacking energy: -143.051 Base-Backbone interact. energy: -1.592 local terms energy: -245.028669 where: bonds (distance) C4'-P energy: -73.358 bonds (distance) P-C4' energy: -60.989 flat angles C4'-P-C4' energy: -68.420 flat angles P-C4'-P energy: -34.066 tors. eta vs tors. theta energy: -8.196 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: 7 Temperature: 1.200000 Total energy: -493.669423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.669423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.669423 (E_RNA) where: Base-Base interactions energy: -253.774 where: short stacking energy: -151.711 Base-Backbone interact. energy: 7.458 local terms energy: -247.353745 where: bonds (distance) C4'-P energy: -74.877 bonds (distance) P-C4' energy: -66.717 flat angles C4'-P-C4' energy: -65.807 flat angles P-C4'-P energy: -22.362 tors. eta vs tors. theta energy: -17.590 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: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -413.201267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.201267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.201267 (E_RNA) where: Base-Base interactions energy: -191.519 where: short stacking energy: -139.427 Base-Backbone interact. energy: 0.015 local terms energy: -221.697051 where: bonds (distance) C4'-P energy: -57.988 bonds (distance) P-C4' energy: -70.316 flat angles C4'-P-C4' energy: -70.056 flat angles P-C4'-P energy: -26.660 tors. eta vs tors. theta energy: 3.322 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: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -411.242059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.242059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.242059 (E_RNA) where: Base-Base interactions energy: -190.041 where: short stacking energy: -125.324 Base-Backbone interact. energy: -1.129 local terms energy: -220.071952 where: bonds (distance) C4'-P energy: -67.240 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -50.849 flat angles P-C4'-P energy: -24.881 tors. eta vs tors. theta energy: -9.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -322.550842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.550842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.550842 (E_RNA) where: Base-Base interactions energy: -125.291 where: short stacking energy: -94.589 Base-Backbone interact. energy: 4.718 local terms energy: -201.977852 where: bonds (distance) C4'-P energy: -64.861 bonds (distance) P-C4' energy: -66.456 flat angles C4'-P-C4' energy: -58.534 flat angles P-C4'-P energy: -34.283 tors. eta vs tors. theta energy: 22.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -870.391786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.391786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.391786 (E_RNA) where: Base-Base interactions energy: -508.849 where: short stacking energy: -293.954 Base-Backbone interact. energy: -1.207 local terms energy: -360.336133 where: bonds (distance) C4'-P energy: -72.925 bonds (distance) P-C4' energy: -79.475 flat angles C4'-P-C4' energy: -83.134 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -75.154 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: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -872.090351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.090351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.090351 (E_RNA) where: Base-Base interactions energy: -544.796 where: short stacking energy: -250.958 Base-Backbone interact. energy: -2.704 local terms energy: -324.590002 where: bonds (distance) C4'-P energy: -77.833 bonds (distance) P-C4' energy: -72.757 flat angles C4'-P-C4' energy: -78.443 flat angles P-C4'-P energy: -46.972 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: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -864.626332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.626332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.626332 (E_RNA) where: Base-Base interactions energy: -550.532 where: short stacking energy: -255.842 Base-Backbone interact. energy: 2.356 local terms energy: -316.449658 where: bonds (distance) C4'-P energy: -71.460 bonds (distance) P-C4' energy: -70.713 flat angles C4'-P-C4' energy: -64.381 flat angles P-C4'-P energy: -44.167 tors. eta vs tors. theta energy: -65.728 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: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -783.068242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.068242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.068242 (E_RNA) where: Base-Base interactions energy: -446.777 where: short stacking energy: -239.604 Base-Backbone interact. energy: 4.159 local terms energy: -340.450137 where: bonds (distance) C4'-P energy: -76.548 bonds (distance) P-C4' energy: -78.867 flat angles C4'-P-C4' energy: -83.508 flat angles P-C4'-P energy: -53.925 tors. eta vs tors. theta energy: -47.602 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: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -649.507385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.507385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.507385 (E_RNA) where: Base-Base interactions energy: -350.476 where: short stacking energy: -224.235 Base-Backbone interact. energy: 2.654 local terms energy: -301.685236 where: bonds (distance) C4'-P energy: -76.205 bonds (distance) P-C4' energy: -68.251 flat angles C4'-P-C4' energy: -66.416 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: -49.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -436.229786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.229786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.229786 (E_RNA) where: Base-Base interactions energy: -172.549 where: short stacking energy: -135.918 Base-Backbone interact. energy: -1.592 local terms energy: -262.088137 where: bonds (distance) C4'-P energy: -78.283 bonds (distance) P-C4' energy: -71.334 flat angles C4'-P-C4' energy: -66.026 flat angles P-C4'-P energy: -46.742 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -456.401703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.401703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.401703 (E_RNA) where: Base-Base interactions energy: -199.583 where: short stacking energy: -123.679 Base-Backbone interact. energy: -0.413 local terms energy: -256.405923 where: bonds (distance) C4'-P energy: -61.726 bonds (distance) P-C4' energy: -72.621 flat angles C4'-P-C4' energy: -60.936 flat angles P-C4'-P energy: -47.531 tors. eta vs tors. theta energy: -13.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -450.912131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.912131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.912131 (E_RNA) where: Base-Base interactions energy: -191.659 where: short stacking energy: -128.760 Base-Backbone interact. energy: -1.486 local terms energy: -257.767350 where: bonds (distance) C4'-P energy: -80.036 bonds (distance) P-C4' energy: -70.449 flat angles C4'-P-C4' energy: -58.350 flat angles P-C4'-P energy: -46.120 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -398.157480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.157480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.157480 (E_RNA) where: Base-Base interactions energy: -155.561 where: short stacking energy: -107.062 Base-Backbone interact. energy: -0.766 local terms energy: -241.831194 where: bonds (distance) C4'-P energy: -77.905 bonds (distance) P-C4' energy: -73.889 flat angles C4'-P-C4' energy: -57.570 flat angles P-C4'-P energy: -31.504 tors. eta vs tors. theta energy: -0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -320.947015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.947015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.947015 (E_RNA) where: Base-Base interactions energy: -104.164 where: short stacking energy: -81.778 Base-Backbone interact. energy: -0.385 local terms energy: -216.398487 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -85.694 flat angles C4'-P-C4' energy: -57.409 flat angles P-C4'-P energy: -24.354 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: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -864.364614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.364614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.364614 (E_RNA) where: Base-Base interactions energy: -493.358 where: short stacking energy: -265.003 Base-Backbone interact. energy: -1.969 local terms energy: -369.037342 where: bonds (distance) C4'-P energy: -80.099 bonds (distance) P-C4' energy: -91.709 flat angles C4'-P-C4' energy: -77.967 flat angles P-C4'-P energy: -53.486 tors. eta vs tors. theta energy: -65.778 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -896.450268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.450268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.450268 (E_RNA) where: Base-Base interactions energy: -547.252 where: short stacking energy: -255.103 Base-Backbone interact. energy: -0.091 local terms energy: -349.106668 where: bonds (distance) C4'-P energy: -78.593 bonds (distance) P-C4' energy: -93.383 flat angles C4'-P-C4' energy: -77.619 flat angles P-C4'-P energy: -43.899 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: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -817.764515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.764515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.764515 (E_RNA) where: Base-Base interactions energy: -460.067 where: short stacking energy: -237.151 Base-Backbone interact. energy: 0.396 local terms energy: -358.093690 where: bonds (distance) C4'-P energy: -85.005 bonds (distance) P-C4' energy: -80.922 flat angles C4'-P-C4' energy: -72.399 flat angles P-C4'-P energy: -51.416 tors. eta vs tors. theta energy: -68.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -830.406590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.406590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.406590 (E_RNA) where: Base-Base interactions energy: -459.787 where: short stacking energy: -257.663 Base-Backbone interact. energy: -0.561 local terms energy: -370.058813 where: bonds (distance) C4'-P energy: -81.183 bonds (distance) P-C4' energy: -79.146 flat angles C4'-P-C4' energy: -79.818 flat angles P-C4'-P energy: -59.927 tors. eta vs tors. theta energy: -69.984 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: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -686.652454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.652454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.652454 (E_RNA) where: Base-Base interactions energy: -402.856 where: short stacking energy: -190.579 Base-Backbone interact. energy: -2.857 local terms energy: -280.939470 where: bonds (distance) C4'-P energy: -71.450 bonds (distance) P-C4' energy: -65.408 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -31.097 tors. eta vs tors. theta energy: -42.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -515.505427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.505427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.505427 (E_RNA) where: Base-Base interactions energy: -247.068 where: short stacking energy: -134.323 Base-Backbone interact. energy: -0.754 local terms energy: -267.682778 where: bonds (distance) C4'-P energy: -75.562 bonds (distance) P-C4' energy: -68.562 flat angles C4'-P-C4' energy: -58.349 flat angles P-C4'-P energy: -43.118 tors. eta vs tors. theta energy: -22.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -451.374839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.374839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.374839 (E_RNA) where: Base-Base interactions energy: -203.645 where: short stacking energy: -141.405 Base-Backbone interact. energy: 1.003 local terms energy: -248.733187 where: bonds (distance) C4'-P energy: -72.382 bonds (distance) P-C4' energy: -64.365 flat angles C4'-P-C4' energy: -61.220 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -12.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -460.183405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.183405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.183405 (E_RNA) where: Base-Base interactions energy: -237.627 where: short stacking energy: -141.194 Base-Backbone interact. energy: -1.009 local terms energy: -221.547405 where: bonds (distance) C4'-P energy: -63.461 bonds (distance) P-C4' energy: -68.914 flat angles C4'-P-C4' energy: -70.465 flat angles P-C4'-P energy: -15.676 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -383.519444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.519444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.519444 (E_RNA) where: Base-Base interactions energy: -178.656 where: short stacking energy: -109.941 Base-Backbone interact. energy: -2.877 local terms energy: -201.985973 where: bonds (distance) C4'-P energy: -51.308 bonds (distance) P-C4' energy: -74.481 flat angles C4'-P-C4' energy: -49.054 flat angles P-C4'-P energy: -36.178 tors. eta vs tors. theta energy: 9.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -325.458871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.458871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.458871 (E_RNA) where: Base-Base interactions energy: -100.034 where: short stacking energy: -88.053 Base-Backbone interact. energy: -1.290 local terms energy: -224.134641 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -57.829 flat angles P-C4'-P energy: -37.855 tors. eta vs tors. theta energy: 14.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -969.828418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.828418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.828418 (E_RNA) where: Base-Base interactions energy: -612.350 where: short stacking energy: -280.426 Base-Backbone interact. energy: -3.059 local terms energy: -354.419350 where: bonds (distance) C4'-P energy: -69.872 bonds (distance) P-C4' energy: -80.645 flat angles C4'-P-C4' energy: -76.398 flat angles P-C4'-P energy: -55.374 tors. eta vs tors. theta energy: -72.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -800.983789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.983789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.983789 (E_RNA) where: Base-Base interactions energy: -447.417 where: short stacking energy: -261.002 Base-Backbone interact. energy: -0.530 local terms energy: -353.037151 where: bonds (distance) C4'-P energy: -71.990 bonds (distance) P-C4' energy: -88.464 flat angles C4'-P-C4' energy: -78.814 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -72.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -855.965436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.965436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.965436 (E_RNA) where: Base-Base interactions energy: -484.348 where: short stacking energy: -278.622 Base-Backbone interact. energy: -2.183 local terms energy: -369.434614 where: bonds (distance) C4'-P energy: -66.083 bonds (distance) P-C4' energy: -80.373 flat angles C4'-P-C4' energy: -85.841 flat angles P-C4'-P energy: -58.199 tors. eta vs tors. theta energy: -78.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -724.346492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.346492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.346492 (E_RNA) where: Base-Base interactions energy: -414.585 where: short stacking energy: -218.254 Base-Backbone interact. energy: 0.877 local terms energy: -310.638093 where: bonds (distance) C4'-P energy: -71.151 bonds (distance) P-C4' energy: -68.615 flat angles C4'-P-C4' energy: -72.714 flat angles P-C4'-P energy: -39.852 tors. eta vs tors. theta energy: -58.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -712.928157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.928157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.928157 (E_RNA) where: Base-Base interactions energy: -394.389 where: short stacking energy: -212.314 Base-Backbone interact. energy: 0.034 local terms energy: -318.572961 where: bonds (distance) C4'-P energy: -75.856 bonds (distance) P-C4' energy: -73.701 flat angles C4'-P-C4' energy: -75.672 flat angles P-C4'-P energy: -46.109 tors. eta vs tors. theta energy: -47.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -558.686916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.686916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.686916 (E_RNA) where: Base-Base interactions energy: -293.257 where: short stacking energy: -178.727 Base-Backbone interact. energy: -1.058 local terms energy: -264.371878 where: bonds (distance) C4'-P energy: -62.475 bonds (distance) P-C4' energy: -70.332 flat angles C4'-P-C4' energy: -74.784 flat angles P-C4'-P energy: -37.734 tors. eta vs tors. theta energy: -19.047 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: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -513.363635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.363635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.363635 (E_RNA) where: Base-Base interactions energy: -235.682 where: short stacking energy: -137.112 Base-Backbone interact. energy: 0.292 local terms energy: -277.973496 where: bonds (distance) C4'-P energy: -70.533 bonds (distance) P-C4' energy: -71.666 flat angles C4'-P-C4' energy: -71.876 flat angles P-C4'-P energy: -41.323 tors. eta vs tors. theta energy: -22.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -461.272540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.272540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.272540 (E_RNA) where: Base-Base interactions energy: -201.024 where: short stacking energy: -133.857 Base-Backbone interact. energy: -1.459 local terms energy: -258.789892 where: bonds (distance) C4'-P energy: -55.312 bonds (distance) P-C4' energy: -81.641 flat angles C4'-P-C4' energy: -64.209 flat angles P-C4'-P energy: -33.478 tors. eta vs tors. theta energy: -24.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -403.020683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.020683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.020683 (E_RNA) where: Base-Base interactions energy: -171.286 where: short stacking energy: -121.341 Base-Backbone interact. energy: 0.056 local terms energy: -231.790397 where: bonds (distance) C4'-P energy: -64.930 bonds (distance) P-C4' energy: -61.429 flat angles C4'-P-C4' energy: -61.003 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -344.748586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.748586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.748586 (E_RNA) where: Base-Base interactions energy: -132.244 where: short stacking energy: -112.991 Base-Backbone interact. energy: 0.037 local terms energy: -212.541526 where: bonds (distance) C4'-P energy: -72.825 bonds (distance) P-C4' energy: -63.963 flat angles C4'-P-C4' energy: -49.381 flat angles P-C4'-P energy: -37.269 tors. eta vs tors. theta energy: 10.897 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: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1001.968580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.968580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.968580 (E_RNA) where: Base-Base interactions energy: -617.491 where: short stacking energy: -292.246 Base-Backbone interact. energy: -2.283 local terms energy: -382.194719 where: bonds (distance) C4'-P energy: -85.567 bonds (distance) P-C4' energy: -81.350 flat angles C4'-P-C4' energy: -88.252 flat angles P-C4'-P energy: -49.290 tors. eta vs tors. theta energy: -77.736 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: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -878.942774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.942774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.942774 (E_RNA) where: Base-Base interactions energy: -526.050 where: short stacking energy: -290.757 Base-Backbone interact. energy: -0.783 local terms energy: -352.109216 where: bonds (distance) C4'-P energy: -76.695 bonds (distance) P-C4' energy: -82.707 flat angles C4'-P-C4' energy: -80.150 flat angles P-C4'-P energy: -52.678 tors. eta vs tors. theta energy: -59.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -742.031104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.031104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.031104 (E_RNA) where: Base-Base interactions energy: -406.425 where: short stacking energy: -222.279 Base-Backbone interact. energy: -2.720 local terms energy: -332.886396 where: bonds (distance) C4'-P energy: -80.707 bonds (distance) P-C4' energy: -86.466 flat angles C4'-P-C4' energy: -76.419 flat angles P-C4'-P energy: -45.598 tors. eta vs tors. theta energy: -43.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -752.246356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.246356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.246356 (E_RNA) where: Base-Base interactions energy: -436.284 where: short stacking energy: -221.939 Base-Backbone interact. energy: -3.832 local terms energy: -312.130480 where: bonds (distance) C4'-P energy: -69.406 bonds (distance) P-C4' energy: -67.130 flat angles C4'-P-C4' energy: -82.173 flat angles P-C4'-P energy: -36.396 tors. eta vs tors. theta energy: -57.024 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: 11 Temperature: 1.100000 Total energy: -702.872008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.872008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.872008 (E_RNA) where: Base-Base interactions energy: -405.310 where: short stacking energy: -198.898 Base-Backbone interact. energy: 0.527 local terms energy: -298.088874 where: bonds (distance) C4'-P energy: -59.771 bonds (distance) P-C4' energy: -73.433 flat angles C4'-P-C4' energy: -73.196 flat angles P-C4'-P energy: -48.924 tors. eta vs tors. theta energy: -42.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -603.654039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.654039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.654039 (E_RNA) where: Base-Base interactions energy: -325.785 where: short stacking energy: -161.866 Base-Backbone interact. energy: -1.632 local terms energy: -276.237240 where: bonds (distance) C4'-P energy: -79.246 bonds (distance) P-C4' energy: -77.031 flat angles C4'-P-C4' energy: -69.822 flat angles P-C4'-P energy: -32.148 tors. eta vs tors. theta energy: -17.990 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: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -505.059094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.059094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.059094 (E_RNA) where: Base-Base interactions energy: -241.450 where: short stacking energy: -155.482 Base-Backbone interact. energy: 0.925 local terms energy: -264.534191 where: bonds (distance) C4'-P energy: -69.121 bonds (distance) P-C4' energy: -76.364 flat angles C4'-P-C4' energy: -63.467 flat angles P-C4'-P energy: -44.405 tors. eta vs tors. theta energy: -11.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -431.841818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.841818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.841818 (E_RNA) where: Base-Base interactions energy: -181.832 where: short stacking energy: -108.252 Base-Backbone interact. energy: 3.346 local terms energy: -253.355381 where: bonds (distance) C4'-P energy: -66.123 bonds (distance) P-C4' energy: -81.609 flat angles C4'-P-C4' energy: -68.126 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: 6.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -354.356399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.356399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.356399 (E_RNA) where: Base-Base interactions energy: -144.774 where: short stacking energy: -81.106 Base-Backbone interact. energy: -1.132 local terms energy: -208.450135 where: bonds (distance) C4'-P energy: -75.062 bonds (distance) P-C4' energy: -72.237 flat angles C4'-P-C4' energy: -60.253 flat angles P-C4'-P energy: -25.901 tors. eta vs tors. theta energy: 25.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -342.572155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.572155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.572155 (E_RNA) where: Base-Base interactions energy: -138.982 where: short stacking energy: -114.068 Base-Backbone interact. energy: 5.546 local terms energy: -209.136239 where: bonds (distance) C4'-P energy: -60.945 bonds (distance) P-C4' energy: -66.593 flat angles C4'-P-C4' energy: -55.261 flat angles P-C4'-P energy: -37.179 tors. eta vs tors. theta energy: 10.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1021.310121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.310121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.310121 (E_RNA) where: Base-Base interactions energy: -646.659 where: short stacking energy: -283.585 Base-Backbone interact. energy: -4.807 local terms energy: -369.844131 where: bonds (distance) C4'-P energy: -79.226 bonds (distance) P-C4' energy: -79.174 flat angles C4'-P-C4' energy: -87.592 flat angles P-C4'-P energy: -50.705 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: 2, replica: 4 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -937.681795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.681795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.681795 (E_RNA) where: Base-Base interactions energy: -576.122 where: short stacking energy: -260.448 Base-Backbone interact. energy: -1.946 local terms energy: -359.613809 where: bonds (distance) C4'-P energy: -73.458 bonds (distance) P-C4' energy: -74.943 flat angles C4'-P-C4' energy: -85.429 flat angles P-C4'-P energy: -52.216 tors. eta vs tors. theta energy: -73.568 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: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -821.270760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.270760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.270760 (E_RNA) where: Base-Base interactions energy: -468.269 where: short stacking energy: -255.909 Base-Backbone interact. energy: -2.325 local terms energy: -350.676836 where: bonds (distance) C4'-P energy: -58.711 bonds (distance) P-C4' energy: -83.290 flat angles C4'-P-C4' energy: -85.039 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -67.585 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: 12 Temperature: 1.050000 Total energy: -618.990142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.990142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.990142 (E_RNA) where: Base-Base interactions energy: -329.222 where: short stacking energy: -190.849 Base-Backbone interact. energy: -0.790 local terms energy: -288.978233 where: bonds (distance) C4'-P energy: -69.488 bonds (distance) P-C4' energy: -73.288 flat angles C4'-P-C4' energy: -78.904 flat angles P-C4'-P energy: -41.378 tors. eta vs tors. theta energy: -25.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -710.055974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.055974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.055974 (E_RNA) where: Base-Base interactions energy: -389.335 where: short stacking energy: -213.466 Base-Backbone interact. energy: -0.222 local terms energy: -320.498846 where: bonds (distance) C4'-P energy: -74.094 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -63.140 flat angles P-C4'-P energy: -46.456 tors. eta vs tors. theta energy: -63.792 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: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -632.664153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.664153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.664153 (E_RNA) where: Base-Base interactions energy: -365.787 where: short stacking energy: -164.058 Base-Backbone interact. energy: -1.490 local terms energy: -265.386871 where: bonds (distance) C4'-P energy: -65.856 bonds (distance) P-C4' energy: -60.301 flat angles C4'-P-C4' energy: -63.609 flat angles P-C4'-P energy: -52.765 tors. eta vs tors. theta energy: -22.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -474.175365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.175365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.175365 (E_RNA) where: Base-Base interactions energy: -237.633 where: short stacking energy: -143.602 Base-Backbone interact. energy: 0.745 local terms energy: -237.287106 where: bonds (distance) C4'-P energy: -60.418 bonds (distance) P-C4' energy: -64.269 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -26.965 tors. eta vs tors. theta energy: -10.360 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: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -447.101567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.101567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.101567 (E_RNA) where: Base-Base interactions energy: -187.970 where: short stacking energy: -128.347 Base-Backbone interact. energy: 1.248 local terms energy: -260.379859 where: bonds (distance) C4'-P energy: -59.214 bonds (distance) P-C4' energy: -81.309 flat angles C4'-P-C4' energy: -60.242 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -14.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -329.250472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.250472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.250472 (E_RNA) where: Base-Base interactions energy: -131.345 where: short stacking energy: -78.528 Base-Backbone interact. energy: -0.976 local terms energy: -196.929174 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -77.497 flat angles C4'-P-C4' energy: -53.618 flat angles P-C4'-P energy: -21.087 tors. eta vs tors. theta energy: 11.800 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: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -326.995235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.995235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.995235 (E_RNA) where: Base-Base interactions energy: -125.319 where: short stacking energy: -90.997 Base-Backbone interact. energy: -0.745 local terms energy: -200.931685 where: bonds (distance) C4'-P energy: -66.382 bonds (distance) P-C4' energy: -70.117 flat angles C4'-P-C4' energy: -57.847 flat angles P-C4'-P energy: -12.191 tors. eta vs tors. theta energy: 5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1052.738804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.738804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.738804 (E_RNA) where: Base-Base interactions energy: -664.660 where: short stacking energy: -279.055 Base-Backbone interact. energy: 1.184 local terms energy: -389.262219 where: bonds (distance) C4'-P energy: -82.418 bonds (distance) P-C4' energy: -79.653 flat angles C4'-P-C4' energy: -87.274 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -77.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -961.035217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.035217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.035217 (E_RNA) where: Base-Base interactions energy: -610.587 where: short stacking energy: -278.004 Base-Backbone interact. energy: -1.767 local terms energy: -348.681040 where: bonds (distance) C4'-P energy: -69.911 bonds (distance) P-C4' energy: -83.648 flat angles C4'-P-C4' energy: -84.476 flat angles P-C4'-P energy: -52.328 tors. eta vs tors. theta energy: -58.319 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: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -864.275586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.275586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.275586 (E_RNA) where: Base-Base interactions energy: -518.736 where: short stacking energy: -243.159 Base-Backbone interact. energy: -4.001 local terms energy: -341.538610 where: bonds (distance) C4'-P energy: -78.154 bonds (distance) P-C4' energy: -78.226 flat angles C4'-P-C4' energy: -73.459 flat angles P-C4'-P energy: -44.483 tors. eta vs tors. theta energy: -67.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -749.878312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.878312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.878312 (E_RNA) where: Base-Base interactions energy: -422.796 where: short stacking energy: -235.290 Base-Backbone interact. energy: -0.622 local terms energy: -326.460963 where: bonds (distance) C4'-P energy: -67.986 bonds (distance) P-C4' energy: -74.349 flat angles C4'-P-C4' energy: -75.983 flat angles P-C4'-P energy: -55.946 tors. eta vs tors. theta energy: -52.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -567.284652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.284652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.284652 (E_RNA) where: Base-Base interactions energy: -281.401 where: short stacking energy: -183.839 Base-Backbone interact. energy: 0.206 local terms energy: -286.090548 where: bonds (distance) C4'-P energy: -66.384 bonds (distance) P-C4' energy: -74.333 flat angles C4'-P-C4' energy: -65.149 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -31.931 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: 13 Temperature: 1.150000 Total energy: -662.702585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.702585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.702585 (E_RNA) where: Base-Base interactions energy: -377.584 where: short stacking energy: -180.037 Base-Backbone interact. energy: 1.183 local terms energy: -286.301340 where: bonds (distance) C4'-P energy: -63.707 bonds (distance) P-C4' energy: -76.746 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -51.772 tors. eta vs tors. theta energy: -28.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -447.911912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.911912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.911912 (E_RNA) where: Base-Base interactions energy: -198.362 where: short stacking energy: -131.702 Base-Backbone interact. energy: -0.925 local terms energy: -248.624302 where: bonds (distance) C4'-P energy: -57.632 bonds (distance) P-C4' energy: -81.173 flat angles C4'-P-C4' energy: -63.953 flat angles P-C4'-P energy: -33.309 tors. eta vs tors. theta energy: -12.557 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: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -458.631719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.631719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.631719 (E_RNA) where: Base-Base interactions energy: -227.289 where: short stacking energy: -138.083 Base-Backbone interact. energy: -0.386 local terms energy: -230.956046 where: bonds (distance) C4'-P energy: -70.310 bonds (distance) P-C4' energy: -70.655 flat angles C4'-P-C4' energy: -53.051 flat angles P-C4'-P energy: -22.261 tors. eta vs tors. theta energy: -14.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -377.724475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.724475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.724475 (E_RNA) where: Base-Base interactions energy: -163.989 where: short stacking energy: -96.687 Base-Backbone interact. energy: -5.517 local terms energy: -208.218527 where: bonds (distance) C4'-P energy: -71.190 bonds (distance) P-C4' energy: -61.132 flat angles C4'-P-C4' energy: -56.101 flat angles P-C4'-P energy: -34.094 tors. eta vs tors. theta energy: 14.299 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: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -319.502323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.502323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.502323 (E_RNA) where: Base-Base interactions energy: -99.956 where: short stacking energy: -83.706 Base-Backbone interact. energy: 2.338 local terms energy: -221.884441 where: bonds (distance) C4'-P energy: -74.737 bonds (distance) P-C4' energy: -69.132 flat angles C4'-P-C4' energy: -53.224 flat angles P-C4'-P energy: -35.338 tors. eta vs tors. theta energy: 10.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1064.569141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.569141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.569141 (E_RNA) where: Base-Base interactions energy: -711.768 where: short stacking energy: -317.809 Base-Backbone interact. energy: -4.068 local terms energy: -348.733577 where: bonds (distance) C4'-P energy: -69.973 bonds (distance) P-C4' energy: -76.568 flat angles C4'-P-C4' energy: -74.274 flat angles P-C4'-P energy: -54.971 tors. eta vs tors. theta energy: -72.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -972.713295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.713295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.713295 (E_RNA) where: Base-Base interactions energy: -608.699 where: short stacking energy: -300.543 Base-Backbone interact. energy: -1.148 local terms energy: -362.866007 where: bonds (distance) C4'-P energy: -73.817 bonds (distance) P-C4' energy: -85.143 flat angles C4'-P-C4' energy: -75.586 flat angles P-C4'-P energy: -50.480 tors. eta vs tors. theta energy: -77.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -775.966089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.966089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.966089 (E_RNA) where: Base-Base interactions energy: -435.720 where: short stacking energy: -251.448 Base-Backbone interact. energy: -0.623 local terms energy: -339.622673 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -74.047 flat angles C4'-P-C4' energy: -71.536 flat angles P-C4'-P energy: -60.231 tors. eta vs tors. theta energy: -62.695 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: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -811.422108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.422108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.422108 (E_RNA) where: Base-Base interactions energy: -474.223 where: short stacking energy: -253.526 Base-Backbone interact. energy: -2.020 local terms energy: -335.178808 where: bonds (distance) C4'-P energy: -77.641 bonds (distance) P-C4' energy: -78.577 flat angles C4'-P-C4' energy: -72.665 flat angles P-C4'-P energy: -51.896 tors. eta vs tors. theta energy: -54.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -708.154462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.154462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.154462 (E_RNA) where: Base-Base interactions energy: -435.396 where: short stacking energy: -194.523 Base-Backbone interact. energy: -3.092 local terms energy: -269.666412 where: bonds (distance) C4'-P energy: -64.550 bonds (distance) P-C4' energy: -76.651 flat angles C4'-P-C4' energy: -68.037 flat angles P-C4'-P energy: -37.831 tors. eta vs tors. theta energy: -22.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -505.223213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.223213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.223213 (E_RNA) where: Base-Base interactions energy: -238.147 where: short stacking energy: -153.762 Base-Backbone interact. energy: 0.834 local terms energy: -267.910445 where: bonds (distance) C4'-P energy: -66.549 bonds (distance) P-C4' energy: -72.027 flat angles C4'-P-C4' energy: -71.716 flat angles P-C4'-P energy: -43.713 tors. eta vs tors. theta energy: -13.905 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: 7, replica: 5 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -539.443944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.443944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.443944 (E_RNA) where: Base-Base interactions energy: -303.320 where: short stacking energy: -156.920 Base-Backbone interact. energy: 1.806 local terms energy: -237.929613 where: bonds (distance) C4'-P energy: -66.277 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -58.456 flat angles P-C4'-P energy: -33.795 tors. eta vs tors. theta energy: -21.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -431.705894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.705894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.705894 (E_RNA) where: Base-Base interactions energy: -172.301 where: short stacking energy: -128.033 Base-Backbone interact. energy: 2.700 local terms energy: -262.105133 where: bonds (distance) C4'-P energy: -71.629 bonds (distance) P-C4' energy: -70.589 flat angles C4'-P-C4' energy: -76.469 flat angles P-C4'-P energy: -32.445 tors. eta vs tors. theta energy: -10.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -347.381549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.381549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.381549 (E_RNA) where: Base-Base interactions energy: -155.248 where: short stacking energy: -117.985 Base-Backbone interact. energy: 1.955 local terms energy: -194.088379 where: bonds (distance) C4'-P energy: -65.742 bonds (distance) P-C4' energy: -59.190 flat angles C4'-P-C4' energy: -55.967 flat angles P-C4'-P energy: -23.340 tors. eta vs tors. theta energy: 10.151 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: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -333.384605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.384605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.384605 (E_RNA) where: Base-Base interactions energy: -125.905 where: short stacking energy: -97.052 Base-Backbone interact. energy: -1.515 local terms energy: -205.964233 where: bonds (distance) C4'-P energy: -60.975 bonds (distance) P-C4' energy: -76.117 flat angles C4'-P-C4' energy: -49.393 flat angles P-C4'-P energy: -30.428 tors. eta vs tors. theta energy: 10.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1050.612068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.612068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.612068 (E_RNA) where: Base-Base interactions energy: -663.391 where: short stacking energy: -301.565 Base-Backbone interact. energy: -2.635 local terms energy: -384.585848 where: bonds (distance) C4'-P energy: -84.112 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -83.722 flat angles P-C4'-P energy: -64.422 tors. eta vs tors. theta energy: -76.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -965.326101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.326101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.326101 (E_RNA) where: Base-Base interactions energy: -591.553 where: short stacking energy: -308.738 Base-Backbone interact. energy: -0.487 local terms energy: -373.286195 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -74.599 flat angles C4'-P-C4' energy: -91.599 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -79.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -911.514770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.514770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.514770 (E_RNA) where: Base-Base interactions energy: -537.617 where: short stacking energy: -295.193 Base-Backbone interact. energy: 2.245 local terms energy: -376.143074 where: bonds (distance) C4'-P energy: -77.540 bonds (distance) P-C4' energy: -73.004 flat angles C4'-P-C4' energy: -79.978 flat angles P-C4'-P energy: -60.717 tors. eta vs tors. theta energy: -84.904 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: 4, replica: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -804.537591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.537591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.537591 (E_RNA) where: Base-Base interactions energy: -482.959 where: short stacking energy: -221.487 Base-Backbone interact. energy: -0.797 local terms energy: -320.782005 where: bonds (distance) C4'-P energy: -70.929 bonds (distance) P-C4' energy: -79.571 flat angles C4'-P-C4' energy: -70.657 flat angles P-C4'-P energy: -51.987 tors. eta vs tors. theta energy: -47.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -763.920069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.920069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.920069 (E_RNA) where: Base-Base interactions energy: -453.800 where: short stacking energy: -236.729 Base-Backbone interact. energy: 0.207 local terms energy: -310.326325 where: bonds (distance) C4'-P energy: -67.915 bonds (distance) P-C4' energy: -67.996 flat angles C4'-P-C4' energy: -76.892 flat angles P-C4'-P energy: -50.171 tors. eta vs tors. theta energy: -47.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -561.093904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.093904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.093904 (E_RNA) where: Base-Base interactions energy: -292.109 where: short stacking energy: -145.612 Base-Backbone interact. energy: 2.641 local terms energy: -271.626037 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -76.447 flat angles C4'-P-C4' energy: -78.575 flat angles P-C4'-P energy: -46.071 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -386.346245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.346245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.346245 (E_RNA) where: Base-Base interactions energy: -151.678 where: short stacking energy: -108.139 Base-Backbone interact. energy: -1.020 local terms energy: -233.648836 where: bonds (distance) C4'-P energy: -67.574 bonds (distance) P-C4' energy: -72.705 flat angles C4'-P-C4' energy: -52.860 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: 4.435 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: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -392.686404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.686404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.686404 (E_RNA) where: Base-Base interactions energy: -150.203 where: short stacking energy: -122.439 Base-Backbone interact. energy: -4.004 local terms energy: -238.479332 where: bonds (distance) C4'-P energy: -73.417 bonds (distance) P-C4' energy: -71.512 flat angles C4'-P-C4' energy: -64.856 flat angles P-C4'-P energy: -31.013 tors. eta vs tors. theta energy: 2.319 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: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -366.600566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.600566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.600566 (E_RNA) where: Base-Base interactions energy: -145.968 where: short stacking energy: -82.721 Base-Backbone interact. energy: -2.893 local terms energy: -217.740326 where: bonds (distance) C4'-P energy: -54.671 bonds (distance) P-C4' energy: -68.170 flat angles C4'-P-C4' energy: -60.866 flat angles P-C4'-P energy: -48.973 tors. eta vs tors. theta energy: 14.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -338.942202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.942202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.942202 (E_RNA) where: Base-Base interactions energy: -105.233 where: short stacking energy: -91.572 Base-Backbone interact. energy: -1.814 local terms energy: -231.895457 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -74.875 flat angles C4'-P-C4' energy: -63.308 flat angles P-C4'-P energy: -51.781 tors. eta vs tors. theta energy: 16.429 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: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1078.062766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.062766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.062766 (E_RNA) where: Base-Base interactions energy: -716.119 where: short stacking energy: -313.034 Base-Backbone interact. energy: 1.360 local terms energy: -363.303559 where: bonds (distance) C4'-P energy: -81.076 bonds (distance) P-C4' energy: -80.554 flat angles C4'-P-C4' energy: -93.128 flat angles P-C4'-P energy: -38.662 tors. eta vs tors. theta energy: -69.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -978.043840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.043840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.043840 (E_RNA) where: Base-Base interactions energy: -608.757 where: short stacking energy: -303.999 Base-Backbone interact. energy: 0.631 local terms energy: -369.918329 where: bonds (distance) C4'-P energy: -69.602 bonds (distance) P-C4' energy: -81.054 flat angles C4'-P-C4' energy: -79.781 flat angles P-C4'-P energy: -65.678 tors. eta vs tors. theta energy: -73.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -960.232502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.232502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.232502 (E_RNA) where: Base-Base interactions energy: -572.429 where: short stacking energy: -290.560 Base-Backbone interact. energy: -1.504 local terms energy: -386.300136 where: bonds (distance) C4'-P energy: -70.255 bonds (distance) P-C4' energy: -82.712 flat angles C4'-P-C4' energy: -83.376 flat angles P-C4'-P energy: -63.096 tors. eta vs tors. theta energy: -86.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -804.914081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.914081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.914081 (E_RNA) where: Base-Base interactions energy: -483.952 where: short stacking energy: -219.213 Base-Backbone interact. energy: -1.466 local terms energy: -319.496005 where: bonds (distance) C4'-P energy: -70.117 bonds (distance) P-C4' energy: -69.880 flat angles C4'-P-C4' energy: -79.318 flat angles P-C4'-P energy: -47.236 tors. eta vs tors. theta energy: -52.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -747.012603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.012603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.012603 (E_RNA) where: Base-Base interactions energy: -444.986 where: short stacking energy: -210.713 Base-Backbone interact. energy: 1.767 local terms energy: -303.794150 where: bonds (distance) C4'-P energy: -73.309 bonds (distance) P-C4' energy: -65.782 flat angles C4'-P-C4' energy: -81.027 flat angles P-C4'-P energy: -39.911 tors. eta vs tors. theta energy: -43.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -578.638986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.638986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.638986 (E_RNA) where: Base-Base interactions energy: -281.824 where: short stacking energy: -160.994 Base-Backbone interact. energy: -1.094 local terms energy: -295.720760 where: bonds (distance) C4'-P energy: -83.900 bonds (distance) P-C4' energy: -65.845 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -53.007 tors. eta vs tors. theta energy: -22.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -389.107291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.107291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.107291 (E_RNA) where: Base-Base interactions energy: -155.748 where: short stacking energy: -120.108 Base-Backbone interact. energy: -0.316 local terms energy: -233.043681 where: bonds (distance) C4'-P energy: -51.281 bonds (distance) P-C4' energy: -74.182 flat angles C4'-P-C4' energy: -63.633 flat angles P-C4'-P energy: -40.421 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -358.496664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.496664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.496664 (E_RNA) where: Base-Base interactions energy: -135.409 where: short stacking energy: -109.129 Base-Backbone interact. energy: -1.785 local terms energy: -221.303029 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -69.632 flat angles C4'-P-C4' energy: -62.084 flat angles P-C4'-P energy: -41.093 tors. eta vs tors. theta energy: 12.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -352.585570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.585570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.585570 (E_RNA) where: Base-Base interactions energy: -131.055 where: short stacking energy: -97.086 Base-Backbone interact. energy: -0.636 local terms energy: -220.894610 where: bonds (distance) C4'-P energy: -61.444 bonds (distance) P-C4' energy: -67.208 flat angles C4'-P-C4' energy: -59.503 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: 10.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -324.430947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.430947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.430947 (E_RNA) where: Base-Base interactions energy: -126.439 where: short stacking energy: -75.639 Base-Backbone interact. energy: 2.037 local terms energy: -200.028663 where: bonds (distance) C4'-P energy: -62.801 bonds (distance) P-C4' energy: -55.369 flat angles C4'-P-C4' energy: -52.998 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: 14.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1095.969516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.969516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.969516 (E_RNA) where: Base-Base interactions energy: -723.540 where: short stacking energy: -296.805 Base-Backbone interact. energy: 0.661 local terms energy: -373.090705 where: bonds (distance) C4'-P energy: -87.341 bonds (distance) P-C4' energy: -71.220 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: -74.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -995.186709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.186709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.186709 (E_RNA) where: Base-Base interactions energy: -626.945 where: short stacking energy: -306.247 Base-Backbone interact. energy: 0.346 local terms energy: -368.588210 where: bonds (distance) C4'-P energy: -81.993 bonds (distance) P-C4' energy: -70.565 flat angles C4'-P-C4' energy: -83.787 flat angles P-C4'-P energy: -47.068 tors. eta vs tors. theta energy: -85.176 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: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1004.812259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.812259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.812259 (E_RNA) where: Base-Base interactions energy: -634.319 where: short stacking energy: -280.928 Base-Backbone interact. energy: -2.309 local terms energy: -368.184222 where: bonds (distance) C4'-P energy: -73.928 bonds (distance) P-C4' energy: -73.303 flat angles C4'-P-C4' energy: -82.652 flat angles P-C4'-P energy: -53.204 tors. eta vs tors. theta energy: -85.098 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: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -833.654257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.654257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.654257 (E_RNA) where: Base-Base interactions energy: -511.768 where: short stacking energy: -218.868 Base-Backbone interact. energy: -4.387 local terms energy: -317.498846 where: bonds (distance) C4'-P energy: -62.387 bonds (distance) P-C4' energy: -74.019 flat angles C4'-P-C4' energy: -79.839 flat angles P-C4'-P energy: -48.057 tors. eta vs tors. theta energy: -53.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -761.857432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.857432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.857432 (E_RNA) where: Base-Base interactions energy: -481.694 where: short stacking energy: -208.835 Base-Backbone interact. energy: -1.910 local terms energy: -278.253388 where: bonds (distance) C4'-P energy: -70.270 bonds (distance) P-C4' energy: -73.322 flat angles C4'-P-C4' energy: -73.761 flat angles P-C4'-P energy: -25.559 tors. eta vs tors. theta energy: -35.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -562.673780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.673780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.673780 (E_RNA) where: Base-Base interactions energy: -265.579 where: short stacking energy: -128.501 Base-Backbone interact. energy: -0.565 local terms energy: -296.529804 where: bonds (distance) C4'-P energy: -75.809 bonds (distance) P-C4' energy: -80.534 flat angles C4'-P-C4' energy: -75.847 flat angles P-C4'-P energy: -45.061 tors. eta vs tors. theta energy: -19.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -445.426168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.426168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.426168 (E_RNA) where: Base-Base interactions energy: -208.531 where: short stacking energy: -111.097 Base-Backbone interact. energy: -0.506 local terms energy: -236.388267 where: bonds (distance) C4'-P energy: -71.143 bonds (distance) P-C4' energy: -61.444 flat angles C4'-P-C4' energy: -67.307 flat angles P-C4'-P energy: -36.544 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -371.065976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.065976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.065976 (E_RNA) where: Base-Base interactions energy: -131.177 where: short stacking energy: -103.827 Base-Backbone interact. energy: 0.279 local terms energy: -240.167561 where: bonds (distance) C4'-P energy: -83.145 bonds (distance) P-C4' energy: -65.102 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -18.135 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -350.996307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.996307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.996307 (E_RNA) where: Base-Base interactions energy: -121.966 where: short stacking energy: -94.147 Base-Backbone interact. energy: 0.196 local terms energy: -229.226248 where: bonds (distance) C4'-P energy: -66.856 bonds (distance) P-C4' energy: -70.639 flat angles C4'-P-C4' energy: -61.355 flat angles P-C4'-P energy: -33.946 tors. eta vs tors. theta energy: 3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -367.018643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.018643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.018643 (E_RNA) where: Base-Base interactions energy: -135.005 where: short stacking energy: -106.727 Base-Backbone interact. energy: -1.982 local terms energy: -230.032099 where: bonds (distance) C4'-P energy: -69.787 bonds (distance) P-C4' energy: -64.890 flat angles C4'-P-C4' energy: -57.184 flat angles P-C4'-P energy: -43.147 tors. eta vs tors. theta energy: 4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1111.772260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.772260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.772260 (E_RNA) where: Base-Base interactions energy: -742.074 where: short stacking energy: -300.125 Base-Backbone interact. energy: -0.864 local terms energy: -368.834020 where: bonds (distance) C4'-P energy: -79.793 bonds (distance) P-C4' energy: -83.316 flat angles C4'-P-C4' energy: -83.477 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -72.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1059.186351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.186351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.186351 (E_RNA) where: Base-Base interactions energy: -682.982 where: short stacking energy: -319.900 Base-Backbone interact. energy: -1.568 local terms energy: -374.636088 where: bonds (distance) C4'-P energy: -70.176 bonds (distance) P-C4' energy: -72.976 flat angles C4'-P-C4' energy: -83.250 flat angles P-C4'-P energy: -53.451 tors. eta vs tors. theta energy: -94.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1031.827967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.827967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.827967 (E_RNA) where: Base-Base interactions energy: -665.908 where: short stacking energy: -307.446 Base-Backbone interact. energy: -3.309 local terms energy: -362.611138 where: bonds (distance) C4'-P energy: -73.338 bonds (distance) P-C4' energy: -78.098 flat angles C4'-P-C4' energy: -80.004 flat angles P-C4'-P energy: -44.288 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: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -897.361342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.361342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.361342 (E_RNA) where: Base-Base interactions energy: -571.556 where: short stacking energy: -253.170 Base-Backbone interact. energy: -1.779 local terms energy: -324.026311 where: bonds (distance) C4'-P energy: -78.516 bonds (distance) P-C4' energy: -78.085 flat angles C4'-P-C4' energy: -66.201 flat angles P-C4'-P energy: -40.587 tors. eta vs tors. theta energy: -60.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -751.566883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.566883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.566883 (E_RNA) where: Base-Base interactions energy: -449.291 where: short stacking energy: -214.212 Base-Backbone interact. energy: -2.029 local terms energy: -300.247382 where: bonds (distance) C4'-P energy: -68.060 bonds (distance) P-C4' energy: -64.872 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -46.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -576.165011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.165011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.165011 (E_RNA) where: Base-Base interactions energy: -334.148 where: short stacking energy: -174.341 Base-Backbone interact. energy: -0.008 local terms energy: -242.008859 where: bonds (distance) C4'-P energy: -59.432 bonds (distance) P-C4' energy: -63.192 flat angles C4'-P-C4' energy: -73.741 flat angles P-C4'-P energy: -35.369 tors. eta vs tors. theta energy: -10.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -455.704741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.704741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.704741 (E_RNA) where: Base-Base interactions energy: -195.605 where: short stacking energy: -128.642 Base-Backbone interact. energy: -1.893 local terms energy: -258.206618 where: bonds (distance) C4'-P energy: -67.526 bonds (distance) P-C4' energy: -73.716 flat angles C4'-P-C4' energy: -63.305 flat angles P-C4'-P energy: -40.992 tors. eta vs tors. theta energy: -12.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -376.001068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.001068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.001068 (E_RNA) where: Base-Base interactions energy: -141.427 where: short stacking energy: -107.542 Base-Backbone interact. energy: -1.082 local terms energy: -233.491688 where: bonds (distance) C4'-P energy: -57.582 bonds (distance) P-C4' energy: -76.798 flat angles C4'-P-C4' energy: -56.815 flat angles P-C4'-P energy: -38.077 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -391.657185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.657185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.657185 (E_RNA) where: Base-Base interactions energy: -177.588 where: short stacking energy: -128.770 Base-Backbone interact. energy: -1.317 local terms energy: -212.751719 where: bonds (distance) C4'-P energy: -68.764 bonds (distance) P-C4' energy: -63.174 flat angles C4'-P-C4' energy: -45.629 flat angles P-C4'-P energy: -30.959 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -321.129016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.129016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.129016 (E_RNA) where: Base-Base interactions energy: -95.032 where: short stacking energy: -89.141 Base-Backbone interact. energy: 0.428 local terms energy: -226.524644 where: bonds (distance) C4'-P energy: -75.534 bonds (distance) P-C4' energy: -75.326 flat angles C4'-P-C4' energy: -58.878 flat angles P-C4'-P energy: -29.204 tors. eta vs tors. theta energy: 12.418 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: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1095.833442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.833442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.833442 (E_RNA) where: Base-Base interactions energy: -718.008 where: short stacking energy: -316.078 Base-Backbone interact. energy: -0.610 local terms energy: -377.215818 where: bonds (distance) C4'-P energy: -78.513 bonds (distance) P-C4' energy: -78.592 flat angles C4'-P-C4' energy: -87.288 flat angles P-C4'-P energy: -49.693 tors. eta vs tors. theta energy: -83.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1065.487827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.487827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.487827 (E_RNA) where: Base-Base interactions energy: -666.113 where: short stacking energy: -336.019 Base-Backbone interact. energy: -0.935 local terms energy: -398.439941 where: bonds (distance) C4'-P energy: -74.109 bonds (distance) P-C4' energy: -87.252 flat angles C4'-P-C4' energy: -86.245 flat angles P-C4'-P energy: -54.918 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: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -984.104684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.104684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.104684 (E_RNA) where: Base-Base interactions energy: -636.814 where: short stacking energy: -279.899 Base-Backbone interact. energy: -0.561 local terms energy: -346.729868 where: bonds (distance) C4'-P energy: -73.746 bonds (distance) P-C4' energy: -83.970 flat angles C4'-P-C4' energy: -87.584 flat angles P-C4'-P energy: -32.800 tors. eta vs tors. theta energy: -68.629 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: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -913.046825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.046825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.046825 (E_RNA) where: Base-Base interactions energy: -588.919 where: short stacking energy: -263.903 Base-Backbone interact. energy: -2.596 local terms energy: -321.532159 where: bonds (distance) C4'-P energy: -69.811 bonds (distance) P-C4' energy: -78.135 flat angles C4'-P-C4' energy: -68.196 flat angles P-C4'-P energy: -42.043 tors. eta vs tors. theta energy: -63.347 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: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -854.214510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.214510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.214510 (E_RNA) where: Base-Base interactions energy: -534.890 where: short stacking energy: -251.158 Base-Backbone interact. energy: -1.908 local terms energy: -317.416406 where: bonds (distance) C4'-P energy: -69.257 bonds (distance) P-C4' energy: -79.064 flat angles C4'-P-C4' energy: -69.726 flat angles P-C4'-P energy: -48.825 tors. eta vs tors. theta energy: -50.544 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: 19 Temperature: 1.150000 Total energy: -570.257292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.257292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.257292 (E_RNA) where: Base-Base interactions energy: -284.980 where: short stacking energy: -153.534 Base-Backbone interact. energy: -1.618 local terms energy: -283.659293 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -79.724 flat angles C4'-P-C4' energy: -76.414 flat angles P-C4'-P energy: -52.533 tors. eta vs tors. theta energy: -10.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -421.771061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.771061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.771061 (E_RNA) where: Base-Base interactions energy: -156.956 where: short stacking energy: -128.435 Base-Backbone interact. energy: -3.478 local terms energy: -261.336982 where: bonds (distance) C4'-P energy: -75.865 bonds (distance) P-C4' energy: -62.395 flat angles C4'-P-C4' energy: -71.606 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -437.972052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.972052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.972052 (E_RNA) where: Base-Base interactions energy: -222.135 where: short stacking energy: -145.442 Base-Backbone interact. energy: -2.233 local terms energy: -213.603747 where: bonds (distance) C4'-P energy: -62.673 bonds (distance) P-C4' energy: -58.547 flat angles C4'-P-C4' energy: -54.069 flat angles P-C4'-P energy: -39.019 tors. eta vs tors. theta energy: 0.704 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: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -355.507826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.507826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.507826 (E_RNA) where: Base-Base interactions energy: -137.679 where: short stacking energy: -117.291 Base-Backbone interact. energy: -1.764 local terms energy: -216.064736 where: bonds (distance) C4'-P energy: -62.066 bonds (distance) P-C4' energy: -75.871 flat angles C4'-P-C4' energy: -53.859 flat angles P-C4'-P energy: -31.121 tors. eta vs tors. theta energy: 6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -315.616877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.616877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.616877 (E_RNA) where: Base-Base interactions energy: -131.986 where: short stacking energy: -89.820 Base-Backbone interact. energy: 3.605 local terms energy: -187.236054 where: bonds (distance) C4'-P energy: -57.721 bonds (distance) P-C4' energy: -58.624 flat angles C4'-P-C4' energy: -52.677 flat angles P-C4'-P energy: -28.974 tors. eta vs tors. theta energy: 10.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1110.463896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.463896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.463896 (E_RNA) where: Base-Base interactions energy: -710.186 where: short stacking energy: -352.286 Base-Backbone interact. energy: -0.833 local terms energy: -399.444245 where: bonds (distance) C4'-P energy: -79.117 bonds (distance) P-C4' energy: -87.293 flat angles C4'-P-C4' energy: -73.141 flat angles P-C4'-P energy: -55.348 tors. eta vs tors. theta energy: -104.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1055.254845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.254845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.254845 (E_RNA) where: Base-Base interactions energy: -709.586 where: short stacking energy: -304.138 Base-Backbone interact. energy: -4.735 local terms energy: -340.934235 where: bonds (distance) C4'-P energy: -59.889 bonds (distance) P-C4' energy: -79.281 flat angles C4'-P-C4' energy: -81.801 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -68.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -986.109185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.109185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.109185 (E_RNA) where: Base-Base interactions energy: -588.708 where: short stacking energy: -294.511 Base-Backbone interact. energy: -0.284 local terms energy: -397.117153 where: bonds (distance) C4'-P energy: -81.893 bonds (distance) P-C4' energy: -81.655 flat angles C4'-P-C4' energy: -87.927 flat angles P-C4'-P energy: -53.596 tors. eta vs tors. theta energy: -92.047 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: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -900.121989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.121989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.121989 (E_RNA) where: Base-Base interactions energy: -556.355 where: short stacking energy: -258.847 Base-Backbone interact. energy: 2.850 local terms energy: -346.617306 where: bonds (distance) C4'-P energy: -78.825 bonds (distance) P-C4' energy: -62.973 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -50.597 tors. eta vs tors. theta energy: -70.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -899.457059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.457059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.457059 (E_RNA) where: Base-Base interactions energy: -574.773 where: short stacking energy: -249.438 Base-Backbone interact. energy: -1.482 local terms energy: -323.202339 where: bonds (distance) C4'-P energy: -76.001 bonds (distance) P-C4' energy: -74.264 flat angles C4'-P-C4' energy: -68.418 flat angles P-C4'-P energy: -51.554 tors. eta vs tors. theta energy: -52.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -538.958352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.958352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.958352 (E_RNA) where: Base-Base interactions energy: -263.483 where: short stacking energy: -142.027 Base-Backbone interact. energy: -3.337 local terms energy: -272.138259 where: bonds (distance) C4'-P energy: -71.287 bonds (distance) P-C4' energy: -78.622 flat angles C4'-P-C4' energy: -77.789 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -435.350669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.350669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.350669 (E_RNA) where: Base-Base interactions energy: -203.854 where: short stacking energy: -134.444 Base-Backbone interact. energy: 1.357 local terms energy: -232.853481 where: bonds (distance) C4'-P energy: -48.497 bonds (distance) P-C4' energy: -78.198 flat angles C4'-P-C4' energy: -59.142 flat angles P-C4'-P energy: -37.814 tors. eta vs tors. theta energy: -9.202 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: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -374.623571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.623571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.623571 (E_RNA) where: Base-Base interactions energy: -135.603 where: short stacking energy: -110.626 Base-Backbone interact. energy: 5.682 local terms energy: -244.703021 where: bonds (distance) C4'-P energy: -71.391 bonds (distance) P-C4' energy: -78.906 flat angles C4'-P-C4' energy: -64.085 flat angles P-C4'-P energy: -38.550 tors. eta vs tors. theta energy: 8.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -331.436503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.436503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.436503 (E_RNA) where: Base-Base interactions energy: -130.069 where: short stacking energy: -90.187 Base-Backbone interact. energy: -1.016 local terms energy: -200.351971 where: bonds (distance) C4'-P energy: -62.540 bonds (distance) P-C4' energy: -61.643 flat angles C4'-P-C4' energy: -52.193 flat angles P-C4'-P energy: -29.852 tors. eta vs tors. theta energy: 5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -319.500182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.500182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.500182 (E_RNA) where: Base-Base interactions energy: -98.830 where: short stacking energy: -54.942 Base-Backbone interact. energy: -1.787 local terms energy: -218.883860 where: bonds (distance) C4'-P energy: -75.569 bonds (distance) P-C4' energy: -75.798 flat angles C4'-P-C4' energy: -68.457 flat angles P-C4'-P energy: -14.742 tors. eta vs tors. theta energy: 15.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1145.621220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.621220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.621220 (E_RNA) where: Base-Base interactions energy: -732.721 where: short stacking energy: -350.727 Base-Backbone interact. energy: 0.267 local terms energy: -413.167497 where: bonds (distance) C4'-P energy: -85.581 bonds (distance) P-C4' energy: -77.759 flat angles C4'-P-C4' energy: -92.529 flat angles P-C4'-P energy: -56.058 tors. eta vs tors. theta energy: -101.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1062.896865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.896865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.896865 (E_RNA) where: Base-Base interactions energy: -702.378 where: short stacking energy: -289.222 Base-Backbone interact. energy: -3.814 local terms energy: -356.704863 where: bonds (distance) C4'-P energy: -80.557 bonds (distance) P-C4' energy: -77.424 flat angles C4'-P-C4' energy: -75.814 flat angles P-C4'-P energy: -50.412 tors. eta vs tors. theta energy: -72.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -960.959767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.959767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.959767 (E_RNA) where: Base-Base interactions energy: -603.503 where: short stacking energy: -283.134 Base-Backbone interact. energy: -1.451 local terms energy: -356.005720 where: bonds (distance) C4'-P energy: -64.488 bonds (distance) P-C4' energy: -73.352 flat angles C4'-P-C4' energy: -79.615 flat angles P-C4'-P energy: -62.868 tors. eta vs tors. theta energy: -75.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -893.337275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.337275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.337275 (E_RNA) where: Base-Base interactions energy: -549.750 where: short stacking energy: -239.625 Base-Backbone interact. energy: -2.321 local terms energy: -341.267100 where: bonds (distance) C4'-P energy: -77.459 bonds (distance) P-C4' energy: -73.622 flat angles C4'-P-C4' energy: -67.994 flat angles P-C4'-P energy: -54.991 tors. eta vs tors. theta energy: -67.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -948.306967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.306967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.306967 (E_RNA) where: Base-Base interactions energy: -631.422 where: short stacking energy: -252.116 Base-Backbone interact. energy: -3.901 local terms energy: -312.984064 where: bonds (distance) C4'-P energy: -72.019 bonds (distance) P-C4' energy: -68.335 flat angles C4'-P-C4' energy: -78.651 flat angles P-C4'-P energy: -40.789 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: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -514.933832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.933832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.933832 (E_RNA) where: Base-Base interactions energy: -276.309 where: short stacking energy: -141.539 Base-Backbone interact. energy: -1.157 local terms energy: -237.467344 where: bonds (distance) C4'-P energy: -62.132 bonds (distance) P-C4' energy: -80.153 flat angles C4'-P-C4' energy: -66.984 flat angles P-C4'-P energy: -21.912 tors. eta vs tors. theta energy: -6.287 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: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -453.754320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.754320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.754320 (E_RNA) where: Base-Base interactions energy: -211.734 where: short stacking energy: -121.486 Base-Backbone interact. energy: 2.125 local terms energy: -244.145304 where: bonds (distance) C4'-P energy: -67.253 bonds (distance) P-C4' energy: -78.259 flat angles C4'-P-C4' energy: -59.185 flat angles P-C4'-P energy: -34.501 tors. eta vs tors. theta energy: -4.949 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: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -382.011176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.011176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.011176 (E_RNA) where: Base-Base interactions energy: -145.283 where: short stacking energy: -114.297 Base-Backbone interact. energy: -0.613 local terms energy: -236.114850 where: bonds (distance) C4'-P energy: -68.203 bonds (distance) P-C4' energy: -56.945 flat angles C4'-P-C4' energy: -64.528 flat angles P-C4'-P energy: -33.148 tors. eta vs tors. theta energy: -13.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -343.902791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.902791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.902791 (E_RNA) where: Base-Base interactions energy: -109.734 where: short stacking energy: -86.478 Base-Backbone interact. energy: -2.836 local terms energy: -231.333081 where: bonds (distance) C4'-P energy: -59.345 bonds (distance) P-C4' energy: -75.024 flat angles C4'-P-C4' energy: -56.751 flat angles P-C4'-P energy: -36.438 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -320.430505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.430505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.430505 (E_RNA) where: Base-Base interactions energy: -101.678 where: short stacking energy: -82.876 Base-Backbone interact. energy: 0.523 local terms energy: -219.276019 where: bonds (distance) C4'-P energy: -66.791 bonds (distance) P-C4' energy: -76.184 flat angles C4'-P-C4' energy: -61.839 flat angles P-C4'-P energy: -35.831 tors. eta vs tors. theta energy: 21.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1129.918885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.918885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.918885 (E_RNA) where: Base-Base interactions energy: -713.108 where: short stacking energy: -328.960 Base-Backbone interact. energy: -1.784 local terms energy: -415.027502 where: bonds (distance) C4'-P energy: -82.575 bonds (distance) P-C4' energy: -82.742 flat angles C4'-P-C4' energy: -82.887 flat angles P-C4'-P energy: -58.748 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: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1054.009201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.009201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.009201 (E_RNA) where: Base-Base interactions energy: -697.499 where: short stacking energy: -255.130 Base-Backbone interact. energy: -1.653 local terms energy: -354.856644 where: bonds (distance) C4'-P energy: -79.042 bonds (distance) P-C4' energy: -80.497 flat angles C4'-P-C4' energy: -86.210 flat angles P-C4'-P energy: -56.600 tors. eta vs tors. theta energy: -52.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -965.038585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.038585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.038585 (E_RNA) where: Base-Base interactions energy: -607.173 where: short stacking energy: -301.605 Base-Backbone interact. energy: -1.128 local terms energy: -356.737639 where: bonds (distance) C4'-P energy: -71.850 bonds (distance) P-C4' energy: -63.561 flat angles C4'-P-C4' energy: -89.274 flat angles P-C4'-P energy: -53.026 tors. eta vs tors. theta energy: -79.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -912.061959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.061959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.061959 (E_RNA) where: Base-Base interactions energy: -553.712 where: short stacking energy: -279.620 Base-Backbone interact. energy: -1.373 local terms energy: -356.976098 where: bonds (distance) C4'-P energy: -66.807 bonds (distance) P-C4' energy: -70.714 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -61.550 tors. eta vs tors. theta energy: -73.624 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: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -879.611076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.611076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.611076 (E_RNA) where: Base-Base interactions energy: -547.573 where: short stacking energy: -247.060 Base-Backbone interact. energy: -2.764 local terms energy: -329.274929 where: bonds (distance) C4'-P energy: -79.058 bonds (distance) P-C4' energy: -69.643 flat angles C4'-P-C4' energy: -69.965 flat angles P-C4'-P energy: -57.706 tors. eta vs tors. theta energy: -52.903 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: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -560.184432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.184432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.184432 (E_RNA) where: Base-Base interactions energy: -297.809 where: short stacking energy: -182.006 Base-Backbone interact. energy: -0.795 local terms energy: -261.580648 where: bonds (distance) C4'-P energy: -65.971 bonds (distance) P-C4' energy: -76.945 flat angles C4'-P-C4' energy: -65.247 flat angles P-C4'-P energy: -42.391 tors. eta vs tors. theta energy: -11.026 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: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -476.630421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.630421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.630421 (E_RNA) where: Base-Base interactions energy: -215.693 where: short stacking energy: -146.124 Base-Backbone interact. energy: -2.361 local terms energy: -258.576506 where: bonds (distance) C4'-P energy: -75.497 bonds (distance) P-C4' energy: -79.283 flat angles C4'-P-C4' energy: -55.246 flat angles P-C4'-P energy: -43.260 tors. eta vs tors. theta energy: -5.291 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: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -427.970922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.970922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.970922 (E_RNA) where: Base-Base interactions energy: -195.818 where: short stacking energy: -120.102 Base-Backbone interact. energy: -0.936 local terms energy: -231.216943 where: bonds (distance) C4'-P energy: -68.159 bonds (distance) P-C4' energy: -58.918 flat angles C4'-P-C4' energy: -63.661 flat angles P-C4'-P energy: -37.040 tors. eta vs tors. theta energy: -3.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -352.697715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.697715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.697715 (E_RNA) where: Base-Base interactions energy: -117.212 where: short stacking energy: -93.509 Base-Backbone interact. energy: 2.935 local terms energy: -238.420855 where: bonds (distance) C4'-P energy: -61.986 bonds (distance) P-C4' energy: -67.019 flat angles C4'-P-C4' energy: -66.881 flat angles P-C4'-P energy: -39.418 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -333.902431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.902431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.902431 (E_RNA) where: Base-Base interactions energy: -106.284 where: short stacking energy: -86.730 Base-Backbone interact. energy: -1.641 local terms energy: -225.976562 where: bonds (distance) C4'-P energy: -58.809 bonds (distance) P-C4' energy: -71.441 flat angles C4'-P-C4' energy: -58.317 flat angles P-C4'-P energy: -48.115 tors. eta vs tors. theta energy: 10.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1136.276659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.276659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.276659 (E_RNA) where: Base-Base interactions energy: -736.102 where: short stacking energy: -337.894 Base-Backbone interact. energy: -1.974 local terms energy: -398.200191 where: bonds (distance) C4'-P energy: -70.768 bonds (distance) P-C4' energy: -81.884 flat angles C4'-P-C4' energy: -95.912 flat angles P-C4'-P energy: -49.812 tors. eta vs tors. theta energy: -99.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1086.340903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.340903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.340903 (E_RNA) where: Base-Base interactions energy: -713.817 where: short stacking energy: -312.739 Base-Backbone interact. energy: 1.751 local terms energy: -374.274987 where: bonds (distance) C4'-P energy: -74.215 bonds (distance) P-C4' energy: -75.246 flat angles C4'-P-C4' energy: -71.381 flat angles P-C4'-P energy: -60.417 tors. eta vs tors. theta energy: -93.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -981.228396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.228396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.228396 (E_RNA) where: Base-Base interactions energy: -608.236 where: short stacking energy: -302.688 Base-Backbone interact. energy: -3.119 local terms energy: -369.873646 where: bonds (distance) C4'-P energy: -74.989 bonds (distance) P-C4' energy: -76.207 flat angles C4'-P-C4' energy: -79.663 flat angles P-C4'-P energy: -52.039 tors. eta vs tors. theta energy: -86.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -936.135722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.135722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.135722 (E_RNA) where: Base-Base interactions energy: -587.768 where: short stacking energy: -279.887 Base-Backbone interact. energy: -2.396 local terms energy: -345.971727 where: bonds (distance) C4'-P energy: -77.517 bonds (distance) P-C4' energy: -74.118 flat angles C4'-P-C4' energy: -78.525 flat angles P-C4'-P energy: -50.353 tors. eta vs tors. theta energy: -65.458 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: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -916.497168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.497168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.497168 (E_RNA) where: Base-Base interactions energy: -572.856 where: short stacking energy: -244.146 Base-Backbone interact. energy: -0.461 local terms energy: -343.179942 where: bonds (distance) C4'-P energy: -78.365 bonds (distance) P-C4' energy: -76.997 flat angles C4'-P-C4' energy: -75.272 flat angles P-C4'-P energy: -40.785 tors. eta vs tors. theta energy: -71.761 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: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -581.918677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.918677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.918677 (E_RNA) where: Base-Base interactions energy: -312.063 where: short stacking energy: -171.901 Base-Backbone interact. energy: -1.420 local terms energy: -268.435585 where: bonds (distance) C4'-P energy: -73.258 bonds (distance) P-C4' energy: -82.577 flat angles C4'-P-C4' energy: -54.234 flat angles P-C4'-P energy: -30.834 tors. eta vs tors. theta energy: -27.532 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: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -514.950941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.950941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.950941 (E_RNA) where: Base-Base interactions energy: -230.858 where: short stacking energy: -152.416 Base-Backbone interact. energy: 2.137 local terms energy: -286.229265 where: bonds (distance) C4'-P energy: -66.545 bonds (distance) P-C4' energy: -78.743 flat angles C4'-P-C4' energy: -72.428 flat angles P-C4'-P energy: -46.142 tors. eta vs tors. theta energy: -22.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -417.064083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.064083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.064083 (E_RNA) where: Base-Base interactions energy: -184.979 where: short stacking energy: -129.898 Base-Backbone interact. energy: 0.080 local terms energy: -232.164724 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -79.548 flat angles C4'-P-C4' energy: -69.911 flat angles P-C4'-P energy: -26.605 tors. eta vs tors. theta energy: 4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -357.794818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.794818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.794818 (E_RNA) where: Base-Base interactions energy: -148.529 where: short stacking energy: -105.556 Base-Backbone interact. energy: 0.136 local terms energy: -209.401718 where: bonds (distance) C4'-P energy: -78.392 bonds (distance) P-C4' energy: -55.521 flat angles C4'-P-C4' energy: -54.620 flat angles P-C4'-P energy: -32.831 tors. eta vs tors. theta energy: 11.962 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: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -307.237657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.237657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.237657 (E_RNA) where: Base-Base interactions energy: -99.928 where: short stacking energy: -71.014 Base-Backbone interact. energy: -0.850 local terms energy: -206.459763 where: bonds (distance) C4'-P energy: -70.260 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -42.132 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: 23.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1151.945535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.945535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.945535 (E_RNA) where: Base-Base interactions energy: -757.734 where: short stacking energy: -361.877 Base-Backbone interact. energy: -0.612 local terms energy: -393.599846 where: bonds (distance) C4'-P energy: -80.638 bonds (distance) P-C4' energy: -79.609 flat angles C4'-P-C4' energy: -82.736 flat angles P-C4'-P energy: -47.785 tors. eta vs tors. theta energy: -102.833 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: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1054.905668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.905668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.905668 (E_RNA) where: Base-Base interactions energy: -678.600 where: short stacking energy: -279.823 Base-Backbone interact. energy: -1.512 local terms energy: -374.794268 where: bonds (distance) C4'-P energy: -78.274 bonds (distance) P-C4' energy: -87.708 flat angles C4'-P-C4' energy: -77.115 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: -82.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -982.214309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.214309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.214309 (E_RNA) where: Base-Base interactions energy: -611.998 where: short stacking energy: -294.911 Base-Backbone interact. energy: -0.295 local terms energy: -369.921325 where: bonds (distance) C4'-P energy: -79.931 bonds (distance) P-C4' energy: -74.961 flat angles C4'-P-C4' energy: -80.401 flat angles P-C4'-P energy: -57.969 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: 4, replica: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -927.584986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.584986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.584986 (E_RNA) where: Base-Base interactions energy: -577.060 where: short stacking energy: -269.876 Base-Backbone interact. energy: -0.467 local terms energy: -350.057868 where: bonds (distance) C4'-P energy: -60.963 bonds (distance) P-C4' energy: -74.955 flat angles C4'-P-C4' energy: -81.138 flat angles P-C4'-P energy: -60.383 tors. eta vs tors. theta energy: -72.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -835.588597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.588597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.588597 (E_RNA) where: Base-Base interactions energy: -552.206 where: short stacking energy: -202.660 Base-Backbone interact. energy: -1.599 local terms energy: -281.783530 where: bonds (distance) C4'-P energy: -55.442 bonds (distance) P-C4' energy: -74.456 flat angles C4'-P-C4' energy: -65.186 flat angles P-C4'-P energy: -45.543 tors. eta vs tors. theta energy: -41.156 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: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -620.815303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.815303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.815303 (E_RNA) where: Base-Base interactions energy: -351.071 where: short stacking energy: -185.268 Base-Backbone interact. energy: -0.702 local terms energy: -269.042400 where: bonds (distance) C4'-P energy: -80.437 bonds (distance) P-C4' energy: -73.415 flat angles C4'-P-C4' energy: -61.363 flat angles P-C4'-P energy: -28.375 tors. eta vs tors. theta energy: -25.452 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: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -570.342888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.342888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.342888 (E_RNA) where: Base-Base interactions energy: -278.653 where: short stacking energy: -142.342 Base-Backbone interact. energy: 0.293 local terms energy: -291.982662 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -66.502 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -55.175 tors. eta vs tors. theta energy: -24.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -447.919646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.919646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.919646 (E_RNA) where: Base-Base interactions energy: -224.115 where: short stacking energy: -143.437 Base-Backbone interact. energy: -1.223 local terms energy: -222.581184 where: bonds (distance) C4'-P energy: -82.441 bonds (distance) P-C4' energy: -59.259 flat angles C4'-P-C4' energy: -54.213 flat angles P-C4'-P energy: -25.007 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: 9, replica: 1 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -364.315004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.315004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.315004 (E_RNA) where: Base-Base interactions energy: -151.591 where: short stacking energy: -103.400 Base-Backbone interact. energy: 1.587 local terms energy: -214.311707 where: bonds (distance) C4'-P energy: -76.844 bonds (distance) P-C4' energy: -61.567 flat angles C4'-P-C4' energy: -59.745 flat angles P-C4'-P energy: -43.326 tors. eta vs tors. theta energy: 27.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -316.304289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.304289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.304289 (E_RNA) where: Base-Base interactions energy: -119.241 where: short stacking energy: -108.697 Base-Backbone interact. energy: 1.382 local terms energy: -198.445808 where: bonds (distance) C4'-P energy: -39.857 bonds (distance) P-C4' energy: -65.976 flat angles C4'-P-C4' energy: -68.948 flat angles P-C4'-P energy: -24.121 tors. eta vs tors. theta energy: 0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1222.856378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.856378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.856378 (E_RNA) where: Base-Base interactions energy: -821.909 where: short stacking energy: -327.151 Base-Backbone interact. energy: -1.477 local terms energy: -399.471078 where: bonds (distance) C4'-P energy: -90.557 bonds (distance) P-C4' energy: -77.183 flat angles C4'-P-C4' energy: -93.199 flat angles P-C4'-P energy: -43.863 tors. eta vs tors. theta energy: -94.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1083.941714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.941714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.941714 (E_RNA) where: Base-Base interactions energy: -706.341 where: short stacking energy: -329.712 Base-Backbone interact. energy: 1.502 local terms energy: -379.102487 where: bonds (distance) C4'-P energy: -87.880 bonds (distance) P-C4' energy: -77.396 flat angles C4'-P-C4' energy: -81.417 flat angles P-C4'-P energy: -48.638 tors. eta vs tors. theta energy: -83.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -993.101258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.101258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.101258 (E_RNA) where: Base-Base interactions energy: -625.229 where: short stacking energy: -299.867 Base-Backbone interact. energy: -1.501 local terms energy: -366.371031 where: bonds (distance) C4'-P energy: -79.662 bonds (distance) P-C4' energy: -76.085 flat angles C4'-P-C4' energy: -76.382 flat angles P-C4'-P energy: -52.839 tors. eta vs tors. theta energy: -81.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -932.512405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.512405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.512405 (E_RNA) where: Base-Base interactions energy: -576.775 where: short stacking energy: -264.382 Base-Backbone interact. energy: -1.401 local terms energy: -354.336457 where: bonds (distance) C4'-P energy: -67.995 bonds (distance) P-C4' energy: -77.315 flat angles C4'-P-C4' energy: -90.814 flat angles P-C4'-P energy: -48.163 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: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -863.709036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.709036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.709036 (E_RNA) where: Base-Base interactions energy: -537.184 where: short stacking energy: -240.023 Base-Backbone interact. energy: -3.837 local terms energy: -322.688424 where: bonds (distance) C4'-P energy: -78.893 bonds (distance) P-C4' energy: -74.718 flat angles C4'-P-C4' energy: -64.546 flat angles P-C4'-P energy: -45.773 tors. eta vs tors. theta energy: -58.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -610.477025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.477025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.477025 (E_RNA) where: Base-Base interactions energy: -338.983 where: short stacking energy: -155.110 Base-Backbone interact. energy: -1.730 local terms energy: -269.764050 where: bonds (distance) C4'-P energy: -69.204 bonds (distance) P-C4' energy: -68.457 flat angles C4'-P-C4' energy: -71.109 flat angles P-C4'-P energy: -38.185 tors. eta vs tors. theta energy: -22.809 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: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -538.217440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.217440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.217440 (E_RNA) where: Base-Base interactions energy: -272.322 where: short stacking energy: -175.168 Base-Backbone interact. energy: -0.140 local terms energy: -265.755061 where: bonds (distance) C4'-P energy: -72.543 bonds (distance) P-C4' energy: -73.677 flat angles C4'-P-C4' energy: -63.606 flat angles P-C4'-P energy: -32.792 tors. eta vs tors. theta energy: -23.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -468.522405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.522405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.522405 (E_RNA) where: Base-Base interactions energy: -210.284 where: short stacking energy: -140.988 Base-Backbone interact. energy: -1.336 local terms energy: -256.902474 where: bonds (distance) C4'-P energy: -72.370 bonds (distance) P-C4' energy: -75.171 flat angles C4'-P-C4' energy: -57.950 flat angles P-C4'-P energy: -39.630 tors. eta vs tors. theta energy: -11.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -354.391857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.391857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.391857 (E_RNA) where: Base-Base interactions energy: -127.086 where: short stacking energy: -108.678 Base-Backbone interact. energy: -0.534 local terms energy: -226.772189 where: bonds (distance) C4'-P energy: -59.412 bonds (distance) P-C4' energy: -69.140 flat angles C4'-P-C4' energy: -49.580 flat angles P-C4'-P energy: -40.675 tors. eta vs tors. theta energy: -7.965 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: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -335.121700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.121700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.121700 (E_RNA) where: Base-Base interactions energy: -119.536 where: short stacking energy: -85.714 Base-Backbone interact. energy: 4.130 local terms energy: -219.715777 where: bonds (distance) C4'-P energy: -60.240 bonds (distance) P-C4' energy: -74.698 flat angles C4'-P-C4' energy: -52.855 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: 10.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1211.047515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.047515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.047515 (E_RNA) where: Base-Base interactions energy: -822.343 where: short stacking energy: -334.248 Base-Backbone interact. energy: -2.891 local terms energy: -385.813248 where: bonds (distance) C4'-P energy: -74.215 bonds (distance) P-C4' energy: -77.771 flat angles C4'-P-C4' energy: -85.266 flat angles P-C4'-P energy: -52.624 tors. eta vs tors. theta energy: -95.938 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: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1097.395964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.395964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.395964 (E_RNA) where: Base-Base interactions energy: -721.908 where: short stacking energy: -301.364 Base-Backbone interact. energy: 1.695 local terms energy: -377.182608 where: bonds (distance) C4'-P energy: -81.638 bonds (distance) P-C4' energy: -66.680 flat angles C4'-P-C4' energy: -96.350 flat angles P-C4'-P energy: -43.650 tors. eta vs tors. theta energy: -88.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -985.523620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.523620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.523620 (E_RNA) where: Base-Base interactions energy: -642.236 where: short stacking energy: -303.947 Base-Backbone interact. energy: -0.331 local terms energy: -342.957254 where: bonds (distance) C4'-P energy: -70.823 bonds (distance) P-C4' energy: -76.089 flat angles C4'-P-C4' energy: -76.041 flat angles P-C4'-P energy: -53.850 tors. eta vs tors. theta energy: -66.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -954.149188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.149188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.149188 (E_RNA) where: Base-Base interactions energy: -604.170 where: short stacking energy: -280.863 Base-Backbone interact. energy: -1.853 local terms energy: -348.125958 where: bonds (distance) C4'-P energy: -69.190 bonds (distance) P-C4' energy: -81.481 flat angles C4'-P-C4' energy: -74.885 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -65.371 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: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -836.636748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.636748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.636748 (E_RNA) where: Base-Base interactions energy: -516.746 where: short stacking energy: -225.092 Base-Backbone interact. energy: 4.140 local terms energy: -324.030752 where: bonds (distance) C4'-P energy: -65.164 bonds (distance) P-C4' energy: -81.739 flat angles C4'-P-C4' energy: -73.686 flat angles P-C4'-P energy: -45.243 tors. eta vs tors. theta energy: -58.198 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: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -580.069715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.069715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.069715 (E_RNA) where: Base-Base interactions energy: -317.497 where: short stacking energy: -174.001 Base-Backbone interact. energy: -0.630 local terms energy: -261.942690 where: bonds (distance) C4'-P energy: -67.846 bonds (distance) P-C4' energy: -65.156 flat angles C4'-P-C4' energy: -69.359 flat angles P-C4'-P energy: -34.731 tors. eta vs tors. theta energy: -24.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -510.075699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.075699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.075699 (E_RNA) where: Base-Base interactions energy: -260.745 where: short stacking energy: -150.712 Base-Backbone interact. energy: -1.891 local terms energy: -247.439430 where: bonds (distance) C4'-P energy: -67.981 bonds (distance) P-C4' energy: -60.777 flat angles C4'-P-C4' energy: -65.763 flat angles P-C4'-P energy: -39.167 tors. eta vs tors. theta energy: -13.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -412.514578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.514578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.514578 (E_RNA) where: Base-Base interactions energy: -168.318 where: short stacking energy: -133.308 Base-Backbone interact. energy: -0.769 local terms energy: -243.427696 where: bonds (distance) C4'-P energy: -67.664 bonds (distance) P-C4' energy: -47.856 flat angles C4'-P-C4' energy: -74.238 flat angles P-C4'-P energy: -30.503 tors. eta vs tors. theta energy: -23.166 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: 26 Temperature: 1.300000 Total energy: -345.925188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.925188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.925188 (E_RNA) where: Base-Base interactions energy: -120.684 where: short stacking energy: -86.265 Base-Backbone interact. energy: -0.749 local terms energy: -224.492327 where: bonds (distance) C4'-P energy: -61.498 bonds (distance) P-C4' energy: -77.251 flat angles C4'-P-C4' energy: -59.170 flat angles P-C4'-P energy: -38.877 tors. eta vs tors. theta energy: 12.303 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: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -315.708295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.708295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.708295 (E_RNA) where: Base-Base interactions energy: -107.548 where: short stacking energy: -87.240 Base-Backbone interact. energy: -0.835 local terms energy: -207.325321 where: bonds (distance) C4'-P energy: -59.747 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -54.328 flat angles P-C4'-P energy: -32.037 tors. eta vs tors. theta energy: 14.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1193.687575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.687575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.687575 (E_RNA) where: Base-Base interactions energy: -785.164 where: short stacking energy: -339.267 Base-Backbone interact. energy: 1.340 local terms energy: -409.863556 where: bonds (distance) C4'-P energy: -78.721 bonds (distance) P-C4' energy: -85.527 flat angles C4'-P-C4' energy: -91.720 flat angles P-C4'-P energy: -58.914 tors. eta vs tors. theta energy: -94.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1112.265321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.265321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.265321 (E_RNA) where: Base-Base interactions energy: -725.956 where: short stacking energy: -301.942 Base-Backbone interact. energy: 4.480 local terms energy: -390.789753 where: bonds (distance) C4'-P energy: -81.343 bonds (distance) P-C4' energy: -75.678 flat angles C4'-P-C4' energy: -86.599 flat angles P-C4'-P energy: -62.140 tors. eta vs tors. theta energy: -85.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -971.426475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.426475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.426475 (E_RNA) where: Base-Base interactions energy: -601.381 where: short stacking energy: -276.085 Base-Backbone interact. energy: -2.104 local terms energy: -367.942324 where: bonds (distance) C4'-P energy: -72.955 bonds (distance) P-C4' energy: -82.394 flat angles C4'-P-C4' energy: -85.543 flat angles P-C4'-P energy: -48.399 tors. eta vs tors. theta energy: -78.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -958.765106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.765106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.765106 (E_RNA) where: Base-Base interactions energy: -615.473 where: short stacking energy: -260.440 Base-Backbone interact. energy: -1.156 local terms energy: -342.135987 where: bonds (distance) C4'-P energy: -73.366 bonds (distance) P-C4' energy: -83.490 flat angles C4'-P-C4' energy: -74.907 flat angles P-C4'-P energy: -41.573 tors. eta vs tors. theta energy: -68.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -832.887385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.887385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.887385 (E_RNA) where: Base-Base interactions energy: -498.115 where: short stacking energy: -236.715 Base-Backbone interact. energy: 2.275 local terms energy: -337.046716 where: bonds (distance) C4'-P energy: -66.240 bonds (distance) P-C4' energy: -75.755 flat angles C4'-P-C4' energy: -75.618 flat angles P-C4'-P energy: -47.284 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: 6, replica: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -582.280162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.280162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.280162 (E_RNA) where: Base-Base interactions energy: -299.822 where: short stacking energy: -168.804 Base-Backbone interact. energy: -0.716 local terms energy: -281.742565 where: bonds (distance) C4'-P energy: -71.997 bonds (distance) P-C4' energy: -59.111 flat angles C4'-P-C4' energy: -68.487 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -31.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -528.213280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.213280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.213280 (E_RNA) where: Base-Base interactions energy: -261.450 where: short stacking energy: -148.528 Base-Backbone interact. energy: -0.061 local terms energy: -266.701977 where: bonds (distance) C4'-P energy: -75.073 bonds (distance) P-C4' energy: -73.473 flat angles C4'-P-C4' energy: -64.427 flat angles P-C4'-P energy: -29.645 tors. eta vs tors. theta energy: -24.085 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: 27 Temperature: 1.250000 Total energy: -397.667434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.667434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.667434 (E_RNA) where: Base-Base interactions energy: -176.442 where: short stacking energy: -97.781 Base-Backbone interact. energy: 4.096 local terms energy: -225.321566 where: bonds (distance) C4'-P energy: -70.666 bonds (distance) P-C4' energy: -68.732 flat angles C4'-P-C4' energy: -67.453 flat angles P-C4'-P energy: -27.099 tors. eta vs tors. theta energy: 8.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -409.664937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.664937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.664937 (E_RNA) where: Base-Base interactions energy: -188.067 where: short stacking energy: -121.233 Base-Backbone interact. energy: -0.825 local terms energy: -220.772343 where: bonds (distance) C4'-P energy: -59.302 bonds (distance) P-C4' energy: -66.083 flat angles C4'-P-C4' energy: -54.446 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: 4.961 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: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -330.306003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.306003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.306003 (E_RNA) where: Base-Base interactions energy: -104.679 where: short stacking energy: -87.441 Base-Backbone interact. energy: -2.400 local terms energy: -223.227686 where: bonds (distance) C4'-P energy: -57.634 bonds (distance) P-C4' energy: -74.016 flat angles C4'-P-C4' energy: -56.547 flat angles P-C4'-P energy: -33.844 tors. eta vs tors. theta energy: -1.187 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: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1212.074677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.074677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.074677 (E_RNA) where: Base-Base interactions energy: -784.140 where: short stacking energy: -330.903 Base-Backbone interact. energy: -1.195 local terms energy: -426.739093 where: bonds (distance) C4'-P energy: -82.522 bonds (distance) P-C4' energy: -77.618 flat angles C4'-P-C4' energy: -103.069 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -98.881 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: 28 Temperature: 0.950000 Total energy: -1119.879234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.879234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.879234 (E_RNA) where: Base-Base interactions energy: -746.564 where: short stacking energy: -306.883 Base-Backbone interact. energy: -2.304 local terms energy: -371.011007 where: bonds (distance) C4'-P energy: -69.947 bonds (distance) P-C4' energy: -78.617 flat angles C4'-P-C4' energy: -82.977 flat angles P-C4'-P energy: -63.653 tors. eta vs tors. theta energy: -75.816 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: 3, replica: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -953.127523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.127523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.127523 (E_RNA) where: Base-Base interactions energy: -587.038 where: short stacking energy: -298.208 Base-Backbone interact. energy: 0.699 local terms energy: -366.787872 where: bonds (distance) C4'-P energy: -75.454 bonds (distance) P-C4' energy: -73.554 flat angles C4'-P-C4' energy: -82.712 flat angles P-C4'-P energy: -48.041 tors. eta vs tors. theta energy: -87.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -969.345946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.345946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.345946 (E_RNA) where: Base-Base interactions energy: -594.705 where: short stacking energy: -273.363 Base-Backbone interact. energy: -0.831 local terms energy: -373.810047 where: bonds (distance) C4'-P energy: -80.458 bonds (distance) P-C4' energy: -71.602 flat angles C4'-P-C4' energy: -85.172 flat angles P-C4'-P energy: -51.925 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: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -893.152708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.152708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.152708 (E_RNA) where: Base-Base interactions energy: -552.793 where: short stacking energy: -241.720 Base-Backbone interact. energy: -2.458 local terms energy: -337.901256 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -79.187 flat angles C4'-P-C4' energy: -77.019 flat angles P-C4'-P energy: -45.200 tors. eta vs tors. theta energy: -65.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -650.020918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.020918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.020918 (E_RNA) where: Base-Base interactions energy: -367.639 where: short stacking energy: -216.898 Base-Backbone interact. energy: 2.165 local terms energy: -284.546756 where: bonds (distance) C4'-P energy: -77.788 bonds (distance) P-C4' energy: -72.174 flat angles C4'-P-C4' energy: -66.645 flat angles P-C4'-P energy: -33.418 tors. eta vs tors. theta energy: -34.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -520.526278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.526278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.526278 (E_RNA) where: Base-Base interactions energy: -271.466 where: short stacking energy: -146.292 Base-Backbone interact. energy: -1.133 local terms energy: -247.927363 where: bonds (distance) C4'-P energy: -72.351 bonds (distance) P-C4' energy: -72.877 flat angles C4'-P-C4' energy: -61.379 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -5.925 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: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -395.774276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.774276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.774276 (E_RNA) where: Base-Base interactions energy: -167.765 where: short stacking energy: -106.137 Base-Backbone interact. energy: 5.289 local terms energy: -233.298094 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -68.887 flat angles C4'-P-C4' energy: -64.841 flat angles P-C4'-P energy: -33.610 tors. eta vs tors. theta energy: -5.768 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: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -347.142525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.142525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.142525 (E_RNA) where: Base-Base interactions energy: -134.018 where: short stacking energy: -100.745 Base-Backbone interact. energy: 0.079 local terms energy: -213.202907 where: bonds (distance) C4'-P energy: -66.173 bonds (distance) P-C4' energy: -70.596 flat angles C4'-P-C4' energy: -52.009 flat angles P-C4'-P energy: -28.238 tors. eta vs tors. theta energy: 3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -385.958578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.958578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.958578 (E_RNA) where: Base-Base interactions energy: -182.479 where: short stacking energy: -115.801 Base-Backbone interact. energy: 0.524 local terms energy: -204.003287 where: bonds (distance) C4'-P energy: -56.158 bonds (distance) P-C4' energy: -50.094 flat angles C4'-P-C4' energy: -63.374 flat angles P-C4'-P energy: -39.412 tors. eta vs tors. theta energy: 5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1195.903916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.903916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.903916 (E_RNA) where: Base-Base interactions energy: -814.727 where: short stacking energy: -338.263 Base-Backbone interact. energy: -4.235 local terms energy: -376.942226 where: bonds (distance) C4'-P energy: -79.568 bonds (distance) P-C4' energy: -73.366 flat angles C4'-P-C4' energy: -85.790 flat angles P-C4'-P energy: -39.344 tors. eta vs tors. theta energy: -98.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1101.528273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.528273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.528273 (E_RNA) where: Base-Base interactions energy: -724.443 where: short stacking energy: -335.925 Base-Backbone interact. energy: -2.128 local terms energy: -374.956837 where: bonds (distance) C4'-P energy: -82.284 bonds (distance) P-C4' energy: -85.098 flat angles C4'-P-C4' energy: -72.214 flat angles P-C4'-P energy: -55.594 tors. eta vs tors. theta energy: -79.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -976.706858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.706858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.706858 (E_RNA) where: Base-Base interactions energy: -615.207 where: short stacking energy: -316.142 Base-Backbone interact. energy: -1.610 local terms energy: -359.889600 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -70.119 flat angles C4'-P-C4' energy: -77.145 flat angles P-C4'-P energy: -56.386 tors. eta vs tors. theta energy: -88.225 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: 4, replica: 8 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -925.358788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.358788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.358788 (E_RNA) where: Base-Base interactions energy: -617.204 where: short stacking energy: -283.128 Base-Backbone interact. energy: -2.331 local terms energy: -305.824521 where: bonds (distance) C4'-P energy: -65.714 bonds (distance) P-C4' energy: -61.348 flat angles C4'-P-C4' energy: -62.654 flat angles P-C4'-P energy: -43.839 tors. eta vs tors. theta energy: -72.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -915.556168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.556168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.556168 (E_RNA) where: Base-Base interactions energy: -581.026 where: short stacking energy: -244.569 Base-Backbone interact. energy: 6.199 local terms energy: -340.729051 where: bonds (distance) C4'-P energy: -65.859 bonds (distance) P-C4' energy: -66.782 flat angles C4'-P-C4' energy: -87.603 flat angles P-C4'-P energy: -55.218 tors. eta vs tors. theta energy: -65.267 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: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -661.110809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.110809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.110809 (E_RNA) where: Base-Base interactions energy: -368.436 where: short stacking energy: -210.008 Base-Backbone interact. energy: -1.580 local terms energy: -291.094128 where: bonds (distance) C4'-P energy: -55.883 bonds (distance) P-C4' energy: -77.702 flat angles C4'-P-C4' energy: -77.287 flat angles P-C4'-P energy: -41.441 tors. eta vs tors. theta energy: -38.781 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: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -576.771521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.771521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.771521 (E_RNA) where: Base-Base interactions energy: -294.801 where: short stacking energy: -155.295 Base-Backbone interact. energy: -2.665 local terms energy: -279.305344 where: bonds (distance) C4'-P energy: -59.435 bonds (distance) P-C4' energy: -61.564 flat angles C4'-P-C4' energy: -84.849 flat angles P-C4'-P energy: -53.202 tors. eta vs tors. theta energy: -20.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -363.447775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.447775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.447775 (E_RNA) where: Base-Base interactions energy: -155.317 where: short stacking energy: -112.207 Base-Backbone interact. energy: 4.779 local terms energy: -212.909971 where: bonds (distance) C4'-P energy: -44.749 bonds (distance) P-C4' energy: -73.300 flat angles C4'-P-C4' energy: -61.918 flat angles P-C4'-P energy: -44.492 tors. eta vs tors. theta energy: 11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -401.087771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.087771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.087771 (E_RNA) where: Base-Base interactions energy: -158.331 where: short stacking energy: -100.542 Base-Backbone interact. energy: 1.097 local terms energy: -243.853522 where: bonds (distance) C4'-P energy: -74.344 bonds (distance) P-C4' energy: -76.550 flat angles C4'-P-C4' energy: -67.605 flat angles P-C4'-P energy: -24.519 tors. eta vs tors. theta energy: -0.836 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: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -326.029998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.029998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.029998 (E_RNA) where: Base-Base interactions energy: -132.121 where: short stacking energy: -94.501 Base-Backbone interact. energy: 3.506 local terms energy: -197.415453 where: bonds (distance) C4'-P energy: -72.570 bonds (distance) P-C4' energy: -59.951 flat angles C4'-P-C4' energy: -48.895 flat angles P-C4'-P energy: -31.171 tors. eta vs tors. theta energy: 15.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1215.322417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.322417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.322417 (E_RNA) where: Base-Base interactions energy: -807.736 where: short stacking energy: -343.936 Base-Backbone interact. energy: -0.565 local terms energy: -407.022048 where: bonds (distance) C4'-P energy: -77.020 bonds (distance) P-C4' energy: -74.594 flat angles C4'-P-C4' energy: -87.812 flat angles P-C4'-P energy: -64.532 tors. eta vs tors. theta energy: -103.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1100.197761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.197761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.197761 (E_RNA) where: Base-Base interactions energy: -720.246 where: short stacking energy: -307.907 Base-Backbone interact. energy: -2.654 local terms energy: -377.297042 where: bonds (distance) C4'-P energy: -84.150 bonds (distance) P-C4' energy: -82.181 flat angles C4'-P-C4' energy: -83.680 flat angles P-C4'-P energy: -50.691 tors. eta vs tors. theta energy: -76.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -996.138586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.138586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.138586 (E_RNA) where: Base-Base interactions energy: -644.201 where: short stacking energy: -317.755 Base-Backbone interact. energy: 1.371 local terms energy: -353.308043 where: bonds (distance) C4'-P energy: -68.161 bonds (distance) P-C4' energy: -70.957 flat angles C4'-P-C4' energy: -84.992 flat angles P-C4'-P energy: -51.995 tors. eta vs tors. theta energy: -77.203 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: 30 Temperature: 1.050000 Total energy: -942.382551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.382551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.382551 (E_RNA) where: Base-Base interactions energy: -584.190 where: short stacking energy: -283.855 Base-Backbone interact. energy: -0.548 local terms energy: -357.644482 where: bonds (distance) C4'-P energy: -83.910 bonds (distance) P-C4' energy: -63.439 flat angles C4'-P-C4' energy: -83.368 flat angles P-C4'-P energy: -55.409 tors. eta vs tors. theta energy: -71.519 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: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -935.359806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.359806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.359806 (E_RNA) where: Base-Base interactions energy: -602.118 where: short stacking energy: -279.155 Base-Backbone interact. energy: -1.863 local terms energy: -331.378737 where: bonds (distance) C4'-P energy: -65.759 bonds (distance) P-C4' energy: -75.917 flat angles C4'-P-C4' energy: -74.273 flat angles P-C4'-P energy: -42.945 tors. eta vs tors. theta energy: -72.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -610.570880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.570880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.570880 (E_RNA) where: Base-Base interactions energy: -312.545 where: short stacking energy: -165.123 Base-Backbone interact. energy: -1.349 local terms energy: -296.676112 where: bonds (distance) C4'-P energy: -76.567 bonds (distance) P-C4' energy: -84.118 flat angles C4'-P-C4' energy: -69.654 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: -18.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -570.309448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.309448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.309448 (E_RNA) where: Base-Base interactions energy: -280.592 where: short stacking energy: -159.778 Base-Backbone interact. energy: -3.452 local terms energy: -286.265075 where: bonds (distance) C4'-P energy: -76.149 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -71.362 flat angles P-C4'-P energy: -45.619 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: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -386.250322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.250322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.250322 (E_RNA) where: Base-Base interactions energy: -158.369 where: short stacking energy: -78.016 Base-Backbone interact. energy: -1.861 local terms energy: -226.020399 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -57.907 flat angles P-C4'-P energy: -41.387 tors. eta vs tors. theta energy: 14.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -405.126889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.126889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.126889 (E_RNA) where: Base-Base interactions energy: -181.300 where: short stacking energy: -108.057 Base-Backbone interact. energy: 5.913 local terms energy: -229.740743 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -69.185 flat angles C4'-P-C4' energy: -54.000 flat angles P-C4'-P energy: -44.104 tors. eta vs tors. theta energy: 5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -307.509173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.509173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.509173 (E_RNA) where: Base-Base interactions energy: -92.809 where: short stacking energy: -86.574 Base-Backbone interact. energy: 1.302 local terms energy: -216.001731 where: bonds (distance) C4'-P energy: -68.381 bonds (distance) P-C4' energy: -67.195 flat angles C4'-P-C4' energy: -64.360 flat angles P-C4'-P energy: -25.747 tors. eta vs tors. theta energy: 9.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1206.869835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.869835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.869835 (E_RNA) where: Base-Base interactions energy: -799.207 where: short stacking energy: -353.969 Base-Backbone interact. energy: -0.625 local terms energy: -407.037724 where: bonds (distance) C4'-P energy: -77.356 bonds (distance) P-C4' energy: -79.350 flat angles C4'-P-C4' energy: -84.033 flat angles P-C4'-P energy: -60.081 tors. eta vs tors. theta energy: -106.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1104.758834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.758834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.758834 (E_RNA) where: Base-Base interactions energy: -721.930 where: short stacking energy: -327.067 Base-Backbone interact. energy: 0.650 local terms energy: -383.478507 where: bonds (distance) C4'-P energy: -74.419 bonds (distance) P-C4' energy: -75.930 flat angles C4'-P-C4' energy: -78.283 flat angles P-C4'-P energy: -62.307 tors. eta vs tors. theta energy: -92.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -994.718905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.718905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.718905 (E_RNA) where: Base-Base interactions energy: -648.667 where: short stacking energy: -296.828 Base-Backbone interact. energy: -0.593 local terms energy: -345.458849 where: bonds (distance) C4'-P energy: -75.385 bonds (distance) P-C4' energy: -75.355 flat angles C4'-P-C4' energy: -77.815 flat angles P-C4'-P energy: -39.447 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: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1036.156881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.156881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.156881 (E_RNA) where: Base-Base interactions energy: -686.377 where: short stacking energy: -295.450 Base-Backbone interact. energy: -1.643 local terms energy: -348.137498 where: bonds (distance) C4'-P energy: -74.532 bonds (distance) P-C4' energy: -75.038 flat angles C4'-P-C4' energy: -78.172 flat angles P-C4'-P energy: -43.614 tors. eta vs tors. theta energy: -76.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -919.334836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.334836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.334836 (E_RNA) where: Base-Base interactions energy: -568.193 where: short stacking energy: -262.150 Base-Backbone interact. energy: -0.623 local terms energy: -350.518493 where: bonds (distance) C4'-P energy: -61.950 bonds (distance) P-C4' energy: -81.027 flat angles C4'-P-C4' energy: -83.204 flat angles P-C4'-P energy: -54.937 tors. eta vs tors. theta energy: -69.400 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: 5 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -633.690843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.690843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.690843 (E_RNA) where: Base-Base interactions energy: -326.350 where: short stacking energy: -180.619 Base-Backbone interact. energy: 0.638 local terms energy: -307.978121 where: bonds (distance) C4'-P energy: -79.608 bonds (distance) P-C4' energy: -69.083 flat angles C4'-P-C4' energy: -73.801 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: -39.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -594.893722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.893722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.893722 (E_RNA) where: Base-Base interactions energy: -333.747 where: short stacking energy: -151.355 Base-Backbone interact. energy: 1.056 local terms energy: -262.203073 where: bonds (distance) C4'-P energy: -64.509 bonds (distance) P-C4' energy: -67.843 flat angles C4'-P-C4' energy: -71.782 flat angles P-C4'-P energy: -38.529 tors. eta vs tors. theta energy: -19.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -395.690999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.690999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.690999 (E_RNA) where: Base-Base interactions energy: -175.175 where: short stacking energy: -97.619 Base-Backbone interact. energy: -3.024 local terms energy: -217.492260 where: bonds (distance) C4'-P energy: -58.117 bonds (distance) P-C4' energy: -61.069 flat angles C4'-P-C4' energy: -64.717 flat angles P-C4'-P energy: -40.472 tors. eta vs tors. theta energy: 6.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -358.374664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.374664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.374664 (E_RNA) where: Base-Base interactions energy: -133.220 where: short stacking energy: -112.664 Base-Backbone interact. energy: 0.324 local terms energy: -225.478587 where: bonds (distance) C4'-P energy: -71.118 bonds (distance) P-C4' energy: -66.358 flat angles C4'-P-C4' energy: -45.304 flat angles P-C4'-P energy: -44.290 tors. eta vs tors. theta energy: 1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -328.672125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.672125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.672125 (E_RNA) where: Base-Base interactions energy: -127.668 where: short stacking energy: -91.946 Base-Backbone interact. energy: -0.677 local terms energy: -200.327187 where: bonds (distance) C4'-P energy: -61.107 bonds (distance) P-C4' energy: -75.992 flat angles C4'-P-C4' energy: -45.589 flat angles P-C4'-P energy: -32.358 tors. eta vs tors. theta energy: 14.719 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: 1, replica: 6 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1200.080132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.080132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.080132 (E_RNA) where: Base-Base interactions energy: -809.691 where: short stacking energy: -339.607 Base-Backbone interact. energy: -2.940 local terms energy: -387.449332 where: bonds (distance) C4'-P energy: -65.775 bonds (distance) P-C4' energy: -85.891 flat angles C4'-P-C4' energy: -82.116 flat angles P-C4'-P energy: -56.302 tors. eta vs tors. theta energy: -97.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1121.547025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.547025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.547025 (E_RNA) where: Base-Base interactions energy: -758.254 where: short stacking energy: -340.028 Base-Backbone interact. energy: -2.213 local terms energy: -361.080039 where: bonds (distance) C4'-P energy: -69.592 bonds (distance) P-C4' energy: -61.950 flat angles C4'-P-C4' energy: -85.494 flat angles P-C4'-P energy: -51.713 tors. eta vs tors. theta energy: -92.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1020.277034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.277034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.277034 (E_RNA) where: Base-Base interactions energy: -663.059 where: short stacking energy: -311.888 Base-Backbone interact. energy: -0.964 local terms energy: -356.254545 where: bonds (distance) C4'-P energy: -64.682 bonds (distance) P-C4' energy: -74.602 flat angles C4'-P-C4' energy: -69.814 flat angles P-C4'-P energy: -57.677 tors. eta vs tors. theta energy: -89.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1013.153552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.153552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.153552 (E_RNA) where: Base-Base interactions energy: -651.859 where: short stacking energy: -261.678 Base-Backbone interact. energy: 0.087 local terms energy: -361.382157 where: bonds (distance) C4'-P energy: -70.128 bonds (distance) P-C4' energy: -71.158 flat angles C4'-P-C4' energy: -82.111 flat angles P-C4'-P energy: -53.340 tors. eta vs tors. theta energy: -84.646 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: 32 Temperature: 1.100000 Total energy: -871.754786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.754786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.754786 (E_RNA) where: Base-Base interactions energy: -543.614 where: short stacking energy: -264.611 Base-Backbone interact. energy: -2.232 local terms energy: -325.908118 where: bonds (distance) C4'-P energy: -63.597 bonds (distance) P-C4' energy: -64.977 flat angles C4'-P-C4' energy: -85.278 flat angles P-C4'-P energy: -47.560 tors. eta vs tors. theta energy: -64.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -633.820824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.820824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.820824 (E_RNA) where: Base-Base interactions energy: -350.694 where: short stacking energy: -211.039 Base-Backbone interact. energy: 1.163 local terms energy: -284.289684 where: bonds (distance) C4'-P energy: -73.959 bonds (distance) P-C4' energy: -68.115 flat angles C4'-P-C4' energy: -57.758 flat angles P-C4'-P energy: -41.773 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: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -550.477584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.477584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.477584 (E_RNA) where: Base-Base interactions energy: -292.067 where: short stacking energy: -151.892 Base-Backbone interact. energy: -1.185 local terms energy: -257.224677 where: bonds (distance) C4'-P energy: -61.313 bonds (distance) P-C4' energy: -73.745 flat angles C4'-P-C4' energy: -62.426 flat angles P-C4'-P energy: -46.451 tors. eta vs tors. theta energy: -13.289 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: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -395.014478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.014478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.014478 (E_RNA) where: Base-Base interactions energy: -158.826 where: short stacking energy: -133.029 Base-Backbone interact. energy: -0.432 local terms energy: -235.757113 where: bonds (distance) C4'-P energy: -78.523 bonds (distance) P-C4' energy: -67.168 flat angles C4'-P-C4' energy: -42.886 flat angles P-C4'-P energy: -36.831 tors. eta vs tors. theta energy: -10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -356.603036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.603036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.603036 (E_RNA) where: Base-Base interactions energy: -146.206 where: short stacking energy: -107.851 Base-Backbone interact. energy: -1.534 local terms energy: -208.863139 where: bonds (distance) C4'-P energy: -51.392 bonds (distance) P-C4' energy: -61.002 flat angles C4'-P-C4' energy: -67.843 flat angles P-C4'-P energy: -40.301 tors. eta vs tors. theta energy: 11.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -316.892857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.892857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.892857 (E_RNA) where: Base-Base interactions energy: -96.187 where: short stacking energy: -72.478 Base-Backbone interact. energy: -0.791 local terms energy: -219.915017 where: bonds (distance) C4'-P energy: -69.777 bonds (distance) P-C4' energy: -72.412 flat angles C4'-P-C4' energy: -60.273 flat angles P-C4'-P energy: -32.820 tors. eta vs tors. theta energy: 15.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1164.725755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.725755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.725755 (E_RNA) where: Base-Base interactions energy: -782.806 where: short stacking energy: -313.379 Base-Backbone interact. energy: -2.049 local terms energy: -379.870877 where: bonds (distance) C4'-P energy: -76.332 bonds (distance) P-C4' energy: -87.664 flat angles C4'-P-C4' energy: -88.394 flat angles P-C4'-P energy: -41.515 tors. eta vs tors. theta energy: -85.966 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: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1094.756676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.756676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.756676 (E_RNA) where: Base-Base interactions energy: -703.560 where: short stacking energy: -307.949 Base-Backbone interact. energy: -3.366 local terms energy: -387.830227 where: bonds (distance) C4'-P energy: -74.349 bonds (distance) P-C4' energy: -75.865 flat angles C4'-P-C4' energy: -82.580 flat angles P-C4'-P energy: -65.480 tors. eta vs tors. theta energy: -89.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1003.332650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.332650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.332650 (E_RNA) where: Base-Base interactions energy: -656.240 where: short stacking energy: -280.985 Base-Backbone interact. energy: -0.174 local terms energy: -346.918862 where: bonds (distance) C4'-P energy: -71.024 bonds (distance) P-C4' energy: -85.154 flat angles C4'-P-C4' energy: -69.783 flat angles P-C4'-P energy: -55.002 tors. eta vs tors. theta energy: -65.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -997.686161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.686161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.686161 (E_RNA) where: Base-Base interactions energy: -658.273 where: short stacking energy: -279.710 Base-Backbone interact. energy: -0.901 local terms energy: -338.512186 where: bonds (distance) C4'-P energy: -66.517 bonds (distance) P-C4' energy: -66.426 flat angles C4'-P-C4' energy: -74.209 flat angles P-C4'-P energy: -52.724 tors. eta vs tors. theta energy: -78.637 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: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -822.316951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.316951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.316951 (E_RNA) where: Base-Base interactions energy: -513.709 where: short stacking energy: -224.623 Base-Backbone interact. energy: -1.504 local terms energy: -307.103696 where: bonds (distance) C4'-P energy: -77.286 bonds (distance) P-C4' energy: -66.028 flat angles C4'-P-C4' energy: -60.372 flat angles P-C4'-P energy: -51.097 tors. eta vs tors. theta energy: -52.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -632.104907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.104907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.104907 (E_RNA) where: Base-Base interactions energy: -336.335 where: short stacking energy: -181.534 Base-Backbone interact. energy: -1.777 local terms energy: -293.993801 where: bonds (distance) C4'-P energy: -60.368 bonds (distance) P-C4' energy: -74.533 flat angles C4'-P-C4' energy: -85.279 flat angles P-C4'-P energy: -37.658 tors. eta vs tors. theta energy: -36.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -489.418266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.418266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.418266 (E_RNA) where: Base-Base interactions energy: -222.505 where: short stacking energy: -124.857 Base-Backbone interact. energy: -0.756 local terms energy: -266.157254 where: bonds (distance) C4'-P energy: -65.487 bonds (distance) P-C4' energy: -84.767 flat angles C4'-P-C4' energy: -69.537 flat angles P-C4'-P energy: -43.269 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -366.189351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.189351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.189351 (E_RNA) where: Base-Base interactions energy: -149.376 where: short stacking energy: -122.982 Base-Backbone interact. energy: 2.739 local terms energy: -219.551584 where: bonds (distance) C4'-P energy: -66.170 bonds (distance) P-C4' energy: -68.344 flat angles C4'-P-C4' energy: -60.708 flat angles P-C4'-P energy: -19.939 tors. eta vs tors. theta energy: -4.390 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: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -366.889679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.889679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.889679 (E_RNA) where: Base-Base interactions energy: -153.107 where: short stacking energy: -107.289 Base-Backbone interact. energy: 3.442 local terms energy: -217.224131 where: bonds (distance) C4'-P energy: -47.376 bonds (distance) P-C4' energy: -78.876 flat angles C4'-P-C4' energy: -52.158 flat angles P-C4'-P energy: -42.153 tors. eta vs tors. theta energy: 3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -317.374894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.374894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.374894 (E_RNA) where: Base-Base interactions energy: -122.760 where: short stacking energy: -93.431 Base-Backbone interact. energy: -1.607 local terms energy: -193.007659 where: bonds (distance) C4'-P energy: -54.260 bonds (distance) P-C4' energy: -66.432 flat angles C4'-P-C4' energy: -57.411 flat angles P-C4'-P energy: -33.878 tors. eta vs tors. theta energy: 18.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1117.034563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.034563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.034563 (E_RNA) where: Base-Base interactions energy: -738.673 where: short stacking energy: -283.179 Base-Backbone interact. energy: -5.607 local terms energy: -372.754440 where: bonds (distance) C4'-P energy: -82.359 bonds (distance) P-C4' energy: -82.428 flat angles C4'-P-C4' energy: -79.795 flat angles P-C4'-P energy: -55.234 tors. eta vs tors. theta energy: -72.938 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: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1155.109548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.109548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.109548 (E_RNA) where: Base-Base interactions energy: -754.241 where: short stacking energy: -343.983 Base-Backbone interact. energy: -1.396 local terms energy: -399.471917 where: bonds (distance) C4'-P energy: -84.692 bonds (distance) P-C4' energy: -79.392 flat angles C4'-P-C4' energy: -82.751 flat angles P-C4'-P energy: -56.944 tors. eta vs tors. theta energy: -95.693 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: 34 Temperature: 1.000000 Total energy: -1044.672232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.672232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.672232 (E_RNA) where: Base-Base interactions energy: -659.924 where: short stacking energy: -312.599 Base-Backbone interact. energy: 0.321 local terms energy: -385.069901 where: bonds (distance) C4'-P energy: -70.477 bonds (distance) P-C4' energy: -79.653 flat angles C4'-P-C4' energy: -88.063 flat angles P-C4'-P energy: -55.385 tors. eta vs tors. theta energy: -91.492 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: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1029.231713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.231713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.231713 (E_RNA) where: Base-Base interactions energy: -672.609 where: short stacking energy: -315.725 Base-Backbone interact. energy: -0.406 local terms energy: -356.216876 where: bonds (distance) C4'-P energy: -70.241 bonds (distance) P-C4' energy: -77.955 flat angles C4'-P-C4' energy: -72.117 flat angles P-C4'-P energy: -45.916 tors. eta vs tors. theta energy: -89.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -799.468006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.468006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.468006 (E_RNA) where: Base-Base interactions energy: -497.646 where: short stacking energy: -223.475 Base-Backbone interact. energy: -1.121 local terms energy: -300.700245 where: bonds (distance) C4'-P energy: -68.711 bonds (distance) P-C4' energy: -74.056 flat angles C4'-P-C4' energy: -71.372 flat angles P-C4'-P energy: -40.195 tors. eta vs tors. theta energy: -46.365 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: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -628.524856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.524856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.524856 (E_RNA) where: Base-Base interactions energy: -326.433 where: short stacking energy: -178.736 Base-Backbone interact. energy: 0.893 local terms energy: -302.984686 where: bonds (distance) C4'-P energy: -70.779 bonds (distance) P-C4' energy: -76.793 flat angles C4'-P-C4' energy: -78.921 flat angles P-C4'-P energy: -41.352 tors. eta vs tors. theta energy: -35.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -507.335650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.335650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.335650 (E_RNA) where: Base-Base interactions energy: -244.558 where: short stacking energy: -165.374 Base-Backbone interact. energy: -1.295 local terms energy: -261.482408 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -65.262 flat angles C4'-P-C4' energy: -64.651 flat angles P-C4'-P energy: -36.445 tors. eta vs tors. theta energy: -22.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -357.251873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.251873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.251873 (E_RNA) where: Base-Base interactions energy: -151.343 where: short stacking energy: -133.324 Base-Backbone interact. energy: 1.055 local terms energy: -206.963615 where: bonds (distance) C4'-P energy: -51.813 bonds (distance) P-C4' energy: -74.990 flat angles C4'-P-C4' energy: -55.303 flat angles P-C4'-P energy: -23.857 tors. eta vs tors. theta energy: -1.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -327.394766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.394766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.394766 (E_RNA) where: Base-Base interactions energy: -121.435 where: short stacking energy: -97.462 Base-Backbone interact. energy: 2.444 local terms energy: -208.403905 where: bonds (distance) C4'-P energy: -68.447 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -51.159 flat angles P-C4'-P energy: -35.365 tors. eta vs tors. theta energy: 8.299 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: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -357.247022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.247022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.247022 (E_RNA) where: Base-Base interactions energy: -133.959 where: short stacking energy: -89.259 Base-Backbone interact. energy: 2.872 local terms energy: -226.159596 where: bonds (distance) C4'-P energy: -56.821 bonds (distance) P-C4' energy: -65.792 flat angles C4'-P-C4' energy: -63.147 flat angles P-C4'-P energy: -50.215 tors. eta vs tors. theta energy: 9.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1132.352808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.352808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.352808 (E_RNA) where: Base-Base interactions energy: -739.836 where: short stacking energy: -314.886 Base-Backbone interact. energy: -2.242 local terms energy: -390.274503 where: bonds (distance) C4'-P energy: -85.680 bonds (distance) P-C4' energy: -86.915 flat angles C4'-P-C4' energy: -85.261 flat angles P-C4'-P energy: -50.977 tors. eta vs tors. theta energy: -81.442 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: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1171.038583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.038583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.038583 (E_RNA) where: Base-Base interactions energy: -773.936 where: short stacking energy: -335.123 Base-Backbone interact. energy: -3.457 local terms energy: -393.644993 where: bonds (distance) C4'-P energy: -77.588 bonds (distance) P-C4' energy: -74.777 flat angles C4'-P-C4' energy: -82.186 flat angles P-C4'-P energy: -60.725 tors. eta vs tors. theta energy: -98.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1038.958745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.958745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.958745 (E_RNA) where: Base-Base interactions energy: -669.393 where: short stacking energy: -329.997 Base-Backbone interact. energy: -0.447 local terms energy: -369.118289 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -77.174 flat angles C4'-P-C4' energy: -82.739 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -103.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -967.973113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.973113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.973113 (E_RNA) where: Base-Base interactions energy: -633.858 where: short stacking energy: -266.562 Base-Backbone interact. energy: -0.713 local terms energy: -333.402384 where: bonds (distance) C4'-P energy: -66.344 bonds (distance) P-C4' energy: -73.903 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -47.092 tors. eta vs tors. theta energy: -78.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -833.385070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.385070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.385070 (E_RNA) where: Base-Base interactions energy: -490.377 where: short stacking energy: -236.067 Base-Backbone interact. energy: -1.756 local terms energy: -341.252161 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -77.068 flat angles C4'-P-C4' energy: -73.298 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: -67.506 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: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -625.657125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.657125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.657125 (E_RNA) where: Base-Base interactions energy: -335.350 where: short stacking energy: -165.944 Base-Backbone interact. energy: -1.833 local terms energy: -288.474070 where: bonds (distance) C4'-P energy: -79.490 bonds (distance) P-C4' energy: -75.990 flat angles C4'-P-C4' energy: -73.961 flat angles P-C4'-P energy: -36.005 tors. eta vs tors. theta energy: -23.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -485.419819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.419819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.419819 (E_RNA) where: Base-Base interactions energy: -217.483 where: short stacking energy: -129.084 Base-Backbone interact. energy: -0.575 local terms energy: -267.361450 where: bonds (distance) C4'-P energy: -80.169 bonds (distance) P-C4' energy: -71.950 flat angles C4'-P-C4' energy: -74.591 flat angles P-C4'-P energy: -39.962 tors. eta vs tors. theta energy: -0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -362.321809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.321809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.321809 (E_RNA) where: Base-Base interactions energy: -127.118 where: short stacking energy: -115.233 Base-Backbone interact. energy: -0.774 local terms energy: -234.430613 where: bonds (distance) C4'-P energy: -70.728 bonds (distance) P-C4' energy: -66.695 flat angles C4'-P-C4' energy: -55.886 flat angles P-C4'-P energy: -30.005 tors. eta vs tors. theta energy: -11.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -355.403884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.403884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.403884 (E_RNA) where: Base-Base interactions energy: -115.586 where: short stacking energy: -97.632 Base-Backbone interact. energy: 6.094 local terms energy: -245.911895 where: bonds (distance) C4'-P energy: -67.806 bonds (distance) P-C4' energy: -65.791 flat angles C4'-P-C4' energy: -70.000 flat angles P-C4'-P energy: -37.085 tors. eta vs tors. theta energy: -5.230 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: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -311.106486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.106486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.106486 (E_RNA) where: Base-Base interactions energy: -94.079 where: short stacking energy: -81.246 Base-Backbone interact. energy: 4.901 local terms energy: -221.929286 where: bonds (distance) C4'-P energy: -54.738 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -57.558 flat angles P-C4'-P energy: -51.740 tors. eta vs tors. theta energy: 13.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1167.106117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.106117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.106117 (E_RNA) where: Base-Base interactions energy: -782.945 where: short stacking energy: -338.510 Base-Backbone interact. energy: 0.691 local terms energy: -384.851924 where: bonds (distance) C4'-P energy: -85.115 bonds (distance) P-C4' energy: -67.573 flat angles C4'-P-C4' energy: -80.991 flat angles P-C4'-P energy: -49.470 tors. eta vs tors. theta energy: -101.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1147.976862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.976862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.976862 (E_RNA) where: Base-Base interactions energy: -776.570 where: short stacking energy: -340.838 Base-Backbone interact. energy: -1.340 local terms energy: -370.067359 where: bonds (distance) C4'-P energy: -68.422 bonds (distance) P-C4' energy: -76.280 flat angles C4'-P-C4' energy: -81.664 flat angles P-C4'-P energy: -53.350 tors. eta vs tors. theta energy: -90.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1030.034296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.034296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.034296 (E_RNA) where: Base-Base interactions energy: -654.208 where: short stacking energy: -313.377 Base-Backbone interact. energy: -1.574 local terms energy: -374.252637 where: bonds (distance) C4'-P energy: -74.528 bonds (distance) P-C4' energy: -77.115 flat angles C4'-P-C4' energy: -75.744 flat angles P-C4'-P energy: -52.701 tors. eta vs tors. theta energy: -94.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1007.953299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.953299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.953299 (E_RNA) where: Base-Base interactions energy: -627.126 where: short stacking energy: -303.633 Base-Backbone interact. energy: 1.735 local terms energy: -382.562077 where: bonds (distance) C4'-P energy: -80.448 bonds (distance) P-C4' energy: -76.212 flat angles C4'-P-C4' energy: -85.586 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: -86.303 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: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -853.524588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.524588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.524588 (E_RNA) where: Base-Base interactions energy: -522.936 where: short stacking energy: -248.586 Base-Backbone interact. energy: 0.861 local terms energy: -331.450027 where: bonds (distance) C4'-P energy: -69.733 bonds (distance) P-C4' energy: -69.030 flat angles C4'-P-C4' energy: -91.137 flat angles P-C4'-P energy: -45.767 tors. eta vs tors. theta energy: -55.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -600.759592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.759592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.759592 (E_RNA) where: Base-Base interactions energy: -316.539 where: short stacking energy: -164.282 Base-Backbone interact. energy: -1.778 local terms energy: -282.442069 where: bonds (distance) C4'-P energy: -59.851 bonds (distance) P-C4' energy: -81.926 flat angles C4'-P-C4' energy: -66.849 flat angles P-C4'-P energy: -50.840 tors. eta vs tors. theta energy: -22.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -414.802788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.802788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.802788 (E_RNA) where: Base-Base interactions energy: -155.461 where: short stacking energy: -127.791 Base-Backbone interact. energy: -1.146 local terms energy: -258.196516 where: bonds (distance) C4'-P energy: -69.616 bonds (distance) P-C4' energy: -80.249 flat angles C4'-P-C4' energy: -69.462 flat angles P-C4'-P energy: -32.195 tors. eta vs tors. theta energy: -6.675 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: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -453.078742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.078742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.078742 (E_RNA) where: Base-Base interactions energy: -201.980 where: short stacking energy: -118.209 Base-Backbone interact. energy: -0.176 local terms energy: -250.922650 where: bonds (distance) C4'-P energy: -79.862 bonds (distance) P-C4' energy: -60.534 flat angles C4'-P-C4' energy: -58.347 flat angles P-C4'-P energy: -36.965 tors. eta vs tors. theta energy: -15.215 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: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -345.461434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.461434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.461434 (E_RNA) where: Base-Base interactions energy: -124.322 where: short stacking energy: -89.751 Base-Backbone interact. energy: 0.198 local terms energy: -221.337589 where: bonds (distance) C4'-P energy: -72.065 bonds (distance) P-C4' energy: -72.319 flat angles C4'-P-C4' energy: -51.233 flat angles P-C4'-P energy: -31.102 tors. eta vs tors. theta energy: 5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -315.742518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.742518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.742518 (E_RNA) where: Base-Base interactions energy: -96.914 where: short stacking energy: -79.744 Base-Backbone interact. energy: -2.717 local terms energy: -216.110940 where: bonds (distance) C4'-P energy: -50.615 bonds (distance) P-C4' energy: -74.779 flat angles C4'-P-C4' energy: -62.775 flat angles P-C4'-P energy: -31.990 tors. eta vs tors. theta energy: 4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1175.938625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.938625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.938625 (E_RNA) where: Base-Base interactions energy: -784.952 where: short stacking energy: -352.921 Base-Backbone interact. energy: -1.097 local terms energy: -389.888963 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -76.036 flat angles C4'-P-C4' energy: -86.601 flat angles P-C4'-P energy: -55.036 tors. eta vs tors. theta energy: -94.570 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: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1168.403223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.403223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.403223 (E_RNA) where: Base-Base interactions energy: -782.413 where: short stacking energy: -338.694 Base-Backbone interact. energy: -3.885 local terms energy: -382.105484 where: bonds (distance) C4'-P energy: -76.432 bonds (distance) P-C4' energy: -70.761 flat angles C4'-P-C4' energy: -88.449 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -91.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1035.936408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.936408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.936408 (E_RNA) where: Base-Base interactions energy: -665.285 where: short stacking energy: -310.611 Base-Backbone interact. energy: -0.685 local terms energy: -369.966068 where: bonds (distance) C4'-P energy: -82.564 bonds (distance) P-C4' energy: -70.083 flat angles C4'-P-C4' energy: -85.809 flat angles P-C4'-P energy: -43.315 tors. eta vs tors. theta energy: -88.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1003.901626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.901626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.901626 (E_RNA) where: Base-Base interactions energy: -625.012 where: short stacking energy: -318.638 Base-Backbone interact. energy: -0.927 local terms energy: -377.962856 where: bonds (distance) C4'-P energy: -79.914 bonds (distance) P-C4' energy: -77.711 flat angles C4'-P-C4' energy: -78.590 flat angles P-C4'-P energy: -43.245 tors. eta vs tors. theta energy: -98.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -818.997412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.997412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.997412 (E_RNA) where: Base-Base interactions energy: -506.337 where: short stacking energy: -224.030 Base-Backbone interact. energy: -2.964 local terms energy: -309.696382 where: bonds (distance) C4'-P energy: -63.233 bonds (distance) P-C4' energy: -74.103 flat angles C4'-P-C4' energy: -70.761 flat angles P-C4'-P energy: -47.542 tors. eta vs tors. theta energy: -54.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -571.325905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.325905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.325905 (E_RNA) where: Base-Base interactions energy: -318.186 where: short stacking energy: -151.424 Base-Backbone interact. energy: -2.027 local terms energy: -251.113134 where: bonds (distance) C4'-P energy: -74.851 bonds (distance) P-C4' energy: -69.088 flat angles C4'-P-C4' energy: -53.781 flat angles P-C4'-P energy: -30.820 tors. eta vs tors. theta energy: -22.573 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: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -369.229974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.229974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.229974 (E_RNA) where: Base-Base interactions energy: -124.901 where: short stacking energy: -111.420 Base-Backbone interact. energy: 0.813 local terms energy: -245.141825 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -73.678 flat angles C4'-P-C4' energy: -61.102 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -5.647 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: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -445.405947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.405947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.405947 (E_RNA) where: Base-Base interactions energy: -216.947 where: short stacking energy: -134.301 Base-Backbone interact. energy: 1.191 local terms energy: -229.650652 where: bonds (distance) C4'-P energy: -50.160 bonds (distance) P-C4' energy: -69.092 flat angles C4'-P-C4' energy: -69.458 flat angles P-C4'-P energy: -39.659 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -353.513165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.513165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.513165 (E_RNA) where: Base-Base interactions energy: -108.394 where: short stacking energy: -84.328 Base-Backbone interact. energy: -1.536 local terms energy: -243.583467 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -82.785 flat angles C4'-P-C4' energy: -62.996 flat angles P-C4'-P energy: -47.818 tors. eta vs tors. theta energy: 5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -316.631225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.631225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.631225 (E_RNA) where: Base-Base interactions energy: -113.653 where: short stacking energy: -68.636 Base-Backbone interact. energy: -1.383 local terms energy: -201.596161 where: bonds (distance) C4'-P energy: -48.859 bonds (distance) P-C4' energy: -77.094 flat angles C4'-P-C4' energy: -50.546 flat angles P-C4'-P energy: -43.105 tors. eta vs tors. theta energy: 18.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1181.369249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.369249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.369249 (E_RNA) where: Base-Base interactions energy: -796.489 where: short stacking energy: -347.191 Base-Backbone interact. energy: -2.581 local terms energy: -382.299344 where: bonds (distance) C4'-P energy: -77.635 bonds (distance) P-C4' energy: -81.051 flat angles C4'-P-C4' energy: -75.308 flat angles P-C4'-P energy: -53.791 tors. eta vs tors. theta energy: -94.515 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: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1159.199067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.199067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.199067 (E_RNA) where: Base-Base interactions energy: -769.230 where: short stacking energy: -304.491 Base-Backbone interact. energy: -4.687 local terms energy: -385.282536 where: bonds (distance) C4'-P energy: -78.375 bonds (distance) P-C4' energy: -75.782 flat angles C4'-P-C4' energy: -84.617 flat angles P-C4'-P energy: -54.191 tors. eta vs tors. theta energy: -92.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1055.034644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.034644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.034644 (E_RNA) where: Base-Base interactions energy: -652.264 where: short stacking energy: -313.188 Base-Backbone interact. energy: -0.931 local terms energy: -401.839513 where: bonds (distance) C4'-P energy: -85.663 bonds (distance) P-C4' energy: -75.124 flat angles C4'-P-C4' energy: -84.556 flat angles P-C4'-P energy: -56.737 tors. eta vs tors. theta energy: -99.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1007.356491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.356491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.356491 (E_RNA) where: Base-Base interactions energy: -638.741 where: short stacking energy: -275.788 Base-Backbone interact. energy: -2.081 local terms energy: -366.534921 where: bonds (distance) C4'-P energy: -69.595 bonds (distance) P-C4' energy: -77.271 flat angles C4'-P-C4' energy: -82.582 flat angles P-C4'-P energy: -52.559 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: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -823.423738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.423738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.423738 (E_RNA) where: Base-Base interactions energy: -498.164 where: short stacking energy: -231.555 Base-Backbone interact. energy: -0.211 local terms energy: -325.048614 where: bonds (distance) C4'-P energy: -68.703 bonds (distance) P-C4' energy: -80.371 flat angles C4'-P-C4' energy: -74.187 flat angles P-C4'-P energy: -45.223 tors. eta vs tors. theta energy: -56.565 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: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -664.854436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.854436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.854436 (E_RNA) where: Base-Base interactions energy: -395.037 where: short stacking energy: -192.106 Base-Backbone interact. energy: 2.322 local terms energy: -272.140294 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -75.492 flat angles C4'-P-C4' energy: -68.541 flat angles P-C4'-P energy: -38.054 tors. eta vs tors. theta energy: -25.571 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: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -470.131835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.131835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.131835 (E_RNA) where: Base-Base interactions energy: -208.859 where: short stacking energy: -136.302 Base-Backbone interact. energy: -2.031 local terms energy: -259.241254 where: bonds (distance) C4'-P energy: -61.700 bonds (distance) P-C4' energy: -79.593 flat angles C4'-P-C4' energy: -70.627 flat angles P-C4'-P energy: -35.565 tors. eta vs tors. theta energy: -11.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -388.394656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.394656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.394656 (E_RNA) where: Base-Base interactions energy: -163.296 where: short stacking energy: -138.195 Base-Backbone interact. energy: -0.644 local terms energy: -224.454208 where: bonds (distance) C4'-P energy: -53.260 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -52.918 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -10.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -361.301439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.301439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.301439 (E_RNA) where: Base-Base interactions energy: -129.662 where: short stacking energy: -86.534 Base-Backbone interact. energy: 1.918 local terms energy: -233.557700 where: bonds (distance) C4'-P energy: -74.923 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -66.121 flat angles P-C4'-P energy: -35.782 tors. eta vs tors. theta energy: 6.675 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: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -306.962931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.962931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.962931 (E_RNA) where: Base-Base interactions energy: -72.389 where: short stacking energy: -66.991 Base-Backbone interact. energy: -1.574 local terms energy: -233.000398 where: bonds (distance) C4'-P energy: -79.910 bonds (distance) P-C4' energy: -79.464 flat angles C4'-P-C4' energy: -54.973 flat angles P-C4'-P energy: -35.338 tors. eta vs tors. theta energy: 16.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1173.132858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.132858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.132858 (E_RNA) where: Base-Base interactions energy: -784.801 where: short stacking energy: -338.544 Base-Backbone interact. energy: -1.107 local terms energy: -387.224942 where: bonds (distance) C4'-P energy: -75.308 bonds (distance) P-C4' energy: -78.153 flat angles C4'-P-C4' energy: -81.904 flat angles P-C4'-P energy: -52.875 tors. eta vs tors. theta energy: -98.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1155.518932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.518932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.518932 (E_RNA) where: Base-Base interactions energy: -761.612 where: short stacking energy: -327.737 Base-Backbone interact. energy: -4.545 local terms energy: -389.361776 where: bonds (distance) C4'-P energy: -75.490 bonds (distance) P-C4' energy: -82.787 flat angles C4'-P-C4' energy: -81.887 flat angles P-C4'-P energy: -62.498 tors. eta vs tors. theta energy: -86.700 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: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1027.353370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.353370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.353370 (E_RNA) where: Base-Base interactions energy: -659.439 where: short stacking energy: -297.271 Base-Backbone interact. energy: -1.755 local terms energy: -366.158570 where: bonds (distance) C4'-P energy: -65.948 bonds (distance) P-C4' energy: -76.356 flat angles C4'-P-C4' energy: -84.321 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -81.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -970.811438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.811438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.811438 (E_RNA) where: Base-Base interactions energy: -625.067 where: short stacking energy: -280.943 Base-Backbone interact. energy: -1.068 local terms energy: -344.676474 where: bonds (distance) C4'-P energy: -72.921 bonds (distance) P-C4' energy: -66.095 flat angles C4'-P-C4' energy: -77.259 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: -81.098 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: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -914.822341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.822341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.822341 (E_RNA) where: Base-Base interactions energy: -590.670 where: short stacking energy: -259.880 Base-Backbone interact. energy: -0.538 local terms energy: -323.614098 where: bonds (distance) C4'-P energy: -66.007 bonds (distance) P-C4' energy: -74.045 flat angles C4'-P-C4' energy: -76.600 flat angles P-C4'-P energy: -42.977 tors. eta vs tors. theta energy: -63.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -654.402652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.402652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.402652 (E_RNA) where: Base-Base interactions energy: -364.856 where: short stacking energy: -189.569 Base-Backbone interact. energy: -0.782 local terms energy: -288.764986 where: bonds (distance) C4'-P energy: -67.976 bonds (distance) P-C4' energy: -76.893 flat angles C4'-P-C4' energy: -77.468 flat angles P-C4'-P energy: -34.213 tors. eta vs tors. theta energy: -32.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -494.556037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.556037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.556037 (E_RNA) where: Base-Base interactions energy: -251.561 where: short stacking energy: -152.563 Base-Backbone interact. energy: -2.098 local terms energy: -240.896731 where: bonds (distance) C4'-P energy: -63.978 bonds (distance) P-C4' energy: -78.390 flat angles C4'-P-C4' energy: -64.482 flat angles P-C4'-P energy: -22.993 tors. eta vs tors. theta energy: -11.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -370.274038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.274038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.274038 (E_RNA) where: Base-Base interactions energy: -152.365 where: short stacking energy: -98.961 Base-Backbone interact. energy: 7.120 local terms energy: -225.028240 where: bonds (distance) C4'-P energy: -75.248 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -40.627 flat angles P-C4'-P energy: -44.951 tors. eta vs tors. theta energy: 2.517 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: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -335.491070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.491070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.491070 (E_RNA) where: Base-Base interactions energy: -106.674 where: short stacking energy: -92.544 Base-Backbone interact. energy: 1.182 local terms energy: -229.998666 where: bonds (distance) C4'-P energy: -63.121 bonds (distance) P-C4' energy: -78.487 flat angles C4'-P-C4' energy: -72.853 flat angles P-C4'-P energy: -16.089 tors. eta vs tors. theta energy: 0.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -309.624659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.624659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.624659 (E_RNA) where: Base-Base interactions energy: -106.469 where: short stacking energy: -83.836 Base-Backbone interact. energy: -0.830 local terms energy: -202.325607 where: bonds (distance) C4'-P energy: -59.794 bonds (distance) P-C4' energy: -59.832 flat angles C4'-P-C4' energy: -66.197 flat angles P-C4'-P energy: -25.865 tors. eta vs tors. theta energy: 9.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1236.544581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.544581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.544581 (E_RNA) where: Base-Base interactions energy: -816.730 where: short stacking energy: -376.340 Base-Backbone interact. energy: -3.865 local terms energy: -415.949092 where: bonds (distance) C4'-P energy: -81.530 bonds (distance) P-C4' energy: -84.622 flat angles C4'-P-C4' energy: -89.465 flat angles P-C4'-P energy: -55.016 tors. eta vs tors. theta energy: -105.316 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: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1152.135793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.135793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.135793 (E_RNA) where: Base-Base interactions energy: -764.384 where: short stacking energy: -337.220 Base-Backbone interact. energy: -0.409 local terms energy: -387.343312 where: bonds (distance) C4'-P energy: -65.179 bonds (distance) P-C4' energy: -81.000 flat angles C4'-P-C4' energy: -92.671 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -98.198 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: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1048.195686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.195686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.195686 (E_RNA) where: Base-Base interactions energy: -674.296 where: short stacking energy: -313.329 Base-Backbone interact. energy: -1.907 local terms energy: -371.992466 where: bonds (distance) C4'-P energy: -72.423 bonds (distance) P-C4' energy: -70.344 flat angles C4'-P-C4' energy: -81.875 flat angles P-C4'-P energy: -53.900 tors. eta vs tors. theta energy: -93.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -992.076336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.076336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.076336 (E_RNA) where: Base-Base interactions energy: -636.825 where: short stacking energy: -302.024 Base-Backbone interact. energy: 0.049 local terms energy: -355.300863 where: bonds (distance) C4'-P energy: -75.996 bonds (distance) P-C4' energy: -76.019 flat angles C4'-P-C4' energy: -64.405 flat angles P-C4'-P energy: -47.580 tors. eta vs tors. theta energy: -91.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -949.956443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.956443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.956443 (E_RNA) where: Base-Base interactions energy: -629.516 where: short stacking energy: -265.742 Base-Backbone interact. energy: 1.348 local terms energy: -321.788428 where: bonds (distance) C4'-P energy: -69.714 bonds (distance) P-C4' energy: -65.795 flat angles C4'-P-C4' energy: -65.486 flat angles P-C4'-P energy: -49.330 tors. eta vs tors. theta energy: -71.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -617.374634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.374634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.374634 (E_RNA) where: Base-Base interactions energy: -339.192 where: short stacking energy: -213.373 Base-Backbone interact. energy: -0.144 local terms energy: -278.039079 where: bonds (distance) C4'-P energy: -65.100 bonds (distance) P-C4' energy: -74.441 flat angles C4'-P-C4' energy: -47.411 flat angles P-C4'-P energy: -49.982 tors. eta vs tors. theta energy: -41.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -460.981217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.981217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.981217 (E_RNA) where: Base-Base interactions energy: -215.367 where: short stacking energy: -124.841 Base-Backbone interact. energy: -0.284 local terms energy: -245.330188 where: bonds (distance) C4'-P energy: -71.217 bonds (distance) P-C4' energy: -60.629 flat angles C4'-P-C4' energy: -59.023 flat angles P-C4'-P energy: -50.951 tors. eta vs tors. theta energy: -3.510 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: 40 Temperature: 1.250000 Total energy: -401.487165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.487165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.487165 (E_RNA) where: Base-Base interactions energy: -193.436 where: short stacking energy: -123.140 Base-Backbone interact. energy: 1.224 local terms energy: -209.275010 where: bonds (distance) C4'-P energy: -45.797 bonds (distance) P-C4' energy: -71.219 flat angles C4'-P-C4' energy: -64.998 flat angles P-C4'-P energy: -32.203 tors. eta vs tors. theta energy: 4.941 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: 40 Temperature: 1.300000 Total energy: -383.938206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.938206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.938206 (E_RNA) where: Base-Base interactions energy: -134.096 where: short stacking energy: -116.637 Base-Backbone interact. energy: -0.158 local terms energy: -249.684413 where: bonds (distance) C4'-P energy: -53.412 bonds (distance) P-C4' energy: -61.486 flat angles C4'-P-C4' energy: -73.270 flat angles P-C4'-P energy: -48.266 tors. eta vs tors. theta energy: -13.250 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: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -323.901943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.901943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.901943 (E_RNA) where: Base-Base interactions energy: -125.110 where: short stacking energy: -101.376 Base-Backbone interact. energy: -1.162 local terms energy: -197.629677 where: bonds (distance) C4'-P energy: -62.011 bonds (distance) P-C4' energy: -67.086 flat angles C4'-P-C4' energy: -38.757 flat angles P-C4'-P energy: -31.882 tors. eta vs tors. theta energy: 2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1221.768147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.768147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.768147 (E_RNA) where: Base-Base interactions energy: -830.899 where: short stacking energy: -350.072 Base-Backbone interact. energy: -2.594 local terms energy: -388.274679 where: bonds (distance) C4'-P energy: -75.705 bonds (distance) P-C4' energy: -72.690 flat angles C4'-P-C4' energy: -85.478 flat angles P-C4'-P energy: -51.348 tors. eta vs tors. theta energy: -103.053 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: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1165.846527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.846527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.846527 (E_RNA) where: Base-Base interactions energy: -757.210 where: short stacking energy: -338.923 Base-Backbone interact. energy: -5.379 local terms energy: -403.257408 where: bonds (distance) C4'-P energy: -82.893 bonds (distance) P-C4' energy: -76.445 flat angles C4'-P-C4' energy: -87.079 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -99.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1005.464716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.464716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.464716 (E_RNA) where: Base-Base interactions energy: -623.687 where: short stacking energy: -286.405 Base-Backbone interact. energy: -1.595 local terms energy: -380.183422 where: bonds (distance) C4'-P energy: -75.713 bonds (distance) P-C4' energy: -80.409 flat angles C4'-P-C4' energy: -84.947 flat angles P-C4'-P energy: -57.220 tors. eta vs tors. theta energy: -81.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -955.102830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.102830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.102830 (E_RNA) where: Base-Base interactions energy: -604.387 where: short stacking energy: -308.113 Base-Backbone interact. energy: -1.794 local terms energy: -348.922673 where: bonds (distance) C4'-P energy: -80.015 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -82.503 flat angles P-C4'-P energy: -39.001 tors. eta vs tors. theta energy: -80.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -908.901505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.901505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.901505 (E_RNA) where: Base-Base interactions energy: -582.034 where: short stacking energy: -257.285 Base-Backbone interact. energy: -1.816 local terms energy: -325.051203 where: bonds (distance) C4'-P energy: -70.407 bonds (distance) P-C4' energy: -75.340 flat angles C4'-P-C4' energy: -56.917 flat angles P-C4'-P energy: -57.214 tors. eta vs tors. theta energy: -65.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -612.508525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.508525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.508525 (E_RNA) where: Base-Base interactions energy: -332.484 where: short stacking energy: -170.925 Base-Backbone interact. energy: 0.579 local terms energy: -280.603347 where: bonds (distance) C4'-P energy: -64.948 bonds (distance) P-C4' energy: -72.814 flat angles C4'-P-C4' energy: -72.934 flat angles P-C4'-P energy: -44.627 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: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -492.848055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.848055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.848055 (E_RNA) where: Base-Base interactions energy: -225.502 where: short stacking energy: -131.568 Base-Backbone interact. energy: -1.357 local terms energy: -265.989079 where: bonds (distance) C4'-P energy: -78.527 bonds (distance) P-C4' energy: -74.017 flat angles C4'-P-C4' energy: -72.207 flat angles P-C4'-P energy: -40.877 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -361.611803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.611803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.611803 (E_RNA) where: Base-Base interactions energy: -115.325 where: short stacking energy: -96.332 Base-Backbone interact. energy: -2.184 local terms energy: -244.103616 where: bonds (distance) C4'-P energy: -68.440 bonds (distance) P-C4' energy: -68.067 flat angles C4'-P-C4' energy: -70.686 flat angles P-C4'-P energy: -34.499 tors. eta vs tors. theta energy: -2.412 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: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -342.308002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.308002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.308002 (E_RNA) where: Base-Base interactions energy: -99.793 where: short stacking energy: -74.204 Base-Backbone interact. energy: -1.925 local terms energy: -240.590190 where: bonds (distance) C4'-P energy: -72.834 bonds (distance) P-C4' energy: -74.173 flat angles C4'-P-C4' energy: -56.614 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: 9.324 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: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -334.183251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.183251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.183251 (E_RNA) where: Base-Base interactions energy: -142.118 where: short stacking energy: -109.510 Base-Backbone interact. energy: 5.873 local terms energy: -197.938157 where: bonds (distance) C4'-P energy: -64.049 bonds (distance) P-C4' energy: -56.918 flat angles C4'-P-C4' energy: -51.852 flat angles P-C4'-P energy: -31.585 tors. eta vs tors. theta energy: 6.466 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: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1214.992822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.992822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.992822 (E_RNA) where: Base-Base interactions energy: -811.269 where: short stacking energy: -343.697 Base-Backbone interact. energy: -3.718 local terms energy: -400.005448 where: bonds (distance) C4'-P energy: -70.286 bonds (distance) P-C4' energy: -81.346 flat angles C4'-P-C4' energy: -93.794 flat angles P-C4'-P energy: -55.667 tors. eta vs tors. theta energy: -98.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1154.701664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.701664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.701664 (E_RNA) where: Base-Base interactions energy: -755.883 where: short stacking energy: -339.314 Base-Backbone interact. energy: -2.173 local terms energy: -396.644876 where: bonds (distance) C4'-P energy: -83.667 bonds (distance) P-C4' energy: -85.150 flat angles C4'-P-C4' energy: -78.667 flat angles P-C4'-P energy: -49.277 tors. eta vs tors. theta energy: -99.883 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: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1020.739590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.739590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.739590 (E_RNA) where: Base-Base interactions energy: -655.979 where: short stacking energy: -272.468 Base-Backbone interact. energy: -0.648 local terms energy: -364.112375 where: bonds (distance) C4'-P energy: -78.919 bonds (distance) P-C4' energy: -82.636 flat angles C4'-P-C4' energy: -76.276 flat angles P-C4'-P energy: -51.126 tors. eta vs tors. theta energy: -75.154 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: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -969.314390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.314390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.314390 (E_RNA) where: Base-Base interactions energy: -610.488 where: short stacking energy: -270.909 Base-Backbone interact. energy: -0.418 local terms energy: -358.408038 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -74.703 flat angles C4'-P-C4' energy: -79.159 flat angles P-C4'-P energy: -45.226 tors. eta vs tors. theta energy: -81.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -914.702993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.702993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.702993 (E_RNA) where: Base-Base interactions energy: -557.821 where: short stacking energy: -262.346 Base-Backbone interact. energy: -2.191 local terms energy: -354.691002 where: bonds (distance) C4'-P energy: -84.964 bonds (distance) P-C4' energy: -75.462 flat angles C4'-P-C4' energy: -71.094 flat angles P-C4'-P energy: -50.390 tors. eta vs tors. theta energy: -72.781 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: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -593.543320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.543320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.543320 (E_RNA) where: Base-Base interactions energy: -315.675 where: short stacking energy: -156.578 Base-Backbone interact. energy: -2.391 local terms energy: -275.477820 where: bonds (distance) C4'-P energy: -63.770 bonds (distance) P-C4' energy: -66.608 flat angles C4'-P-C4' energy: -66.563 flat angles P-C4'-P energy: -47.159 tors. eta vs tors. theta energy: -31.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -437.188112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.188112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.188112 (E_RNA) where: Base-Base interactions energy: -190.098 where: short stacking energy: -110.127 Base-Backbone interact. energy: -2.458 local terms energy: -244.631412 where: bonds (distance) C4'-P energy: -70.128 bonds (distance) P-C4' energy: -71.394 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -29.001 tors. eta vs tors. theta energy: -10.235 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: 42 Temperature: 1.250000 Total energy: -369.479733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.479733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.479733 (E_RNA) where: Base-Base interactions energy: -136.714 where: short stacking energy: -123.805 Base-Backbone interact. energy: -0.802 local terms energy: -231.963892 where: bonds (distance) C4'-P energy: -56.642 bonds (distance) P-C4' energy: -64.331 flat angles C4'-P-C4' energy: -67.800 flat angles P-C4'-P energy: -40.310 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -362.385305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.385305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.385305 (E_RNA) where: Base-Base interactions energy: -145.183 where: short stacking energy: -92.806 Base-Backbone interact. energy: 4.119 local terms energy: -221.320974 where: bonds (distance) C4'-P energy: -62.164 bonds (distance) P-C4' energy: -66.930 flat angles C4'-P-C4' energy: -58.835 flat angles P-C4'-P energy: -49.883 tors. eta vs tors. theta energy: 16.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -317.767503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.767503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.767503 (E_RNA) where: Base-Base interactions energy: -104.353 where: short stacking energy: -84.468 Base-Backbone interact. energy: -0.266 local terms energy: -213.148582 where: bonds (distance) C4'-P energy: -62.072 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -60.062 flat angles P-C4'-P energy: -37.910 tors. eta vs tors. theta energy: 8.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1227.609990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.609990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.609990 (E_RNA) where: Base-Base interactions energy: -811.908 where: short stacking energy: -344.561 Base-Backbone interact. energy: -1.265 local terms energy: -414.436971 where: bonds (distance) C4'-P energy: -83.750 bonds (distance) P-C4' energy: -84.052 flat angles C4'-P-C4' energy: -86.305 flat angles P-C4'-P energy: -55.977 tors. eta vs tors. theta energy: -104.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1155.659297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.659297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.659297 (E_RNA) where: Base-Base interactions energy: -761.205 where: short stacking energy: -320.325 Base-Backbone interact. energy: -1.999 local terms energy: -392.455058 where: bonds (distance) C4'-P energy: -87.641 bonds (distance) P-C4' energy: -78.690 flat angles C4'-P-C4' energy: -84.516 flat angles P-C4'-P energy: -48.546 tors. eta vs tors. theta energy: -93.063 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: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1049.492500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.492500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.492500 (E_RNA) where: Base-Base interactions energy: -689.937 where: short stacking energy: -299.475 Base-Backbone interact. energy: -1.764 local terms energy: -357.791224 where: bonds (distance) C4'-P energy: -69.238 bonds (distance) P-C4' energy: -71.503 flat angles C4'-P-C4' energy: -79.160 flat angles P-C4'-P energy: -52.057 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: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -976.087438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.087438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.087438 (E_RNA) where: Base-Base interactions energy: -620.663 where: short stacking energy: -294.180 Base-Backbone interact. energy: -1.083 local terms energy: -354.341034 where: bonds (distance) C4'-P energy: -68.326 bonds (distance) P-C4' energy: -78.548 flat angles C4'-P-C4' energy: -71.797 flat angles P-C4'-P energy: -55.806 tors. eta vs tors. theta energy: -79.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -945.939378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.939378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.939378 (E_RNA) where: Base-Base interactions energy: -597.190 where: short stacking energy: -270.196 Base-Backbone interact. energy: -0.222 local terms energy: -348.527510 where: bonds (distance) C4'-P energy: -70.200 bonds (distance) P-C4' energy: -78.122 flat angles C4'-P-C4' energy: -77.186 flat angles P-C4'-P energy: -44.924 tors. eta vs tors. theta energy: -78.095 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: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -616.929161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.929161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.929161 (E_RNA) where: Base-Base interactions energy: -306.651 where: short stacking energy: -155.134 Base-Backbone interact. energy: -1.605 local terms energy: -308.672730 where: bonds (distance) C4'-P energy: -74.697 bonds (distance) P-C4' energy: -83.270 flat angles C4'-P-C4' energy: -79.238 flat angles P-C4'-P energy: -51.085 tors. eta vs tors. theta energy: -20.384 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: 10 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -501.456455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.456455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.456455 (E_RNA) where: Base-Base interactions energy: -252.255 where: short stacking energy: -155.684 Base-Backbone interact. energy: -1.634 local terms energy: -247.567592 where: bonds (distance) C4'-P energy: -60.102 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -68.398 flat angles P-C4'-P energy: -34.608 tors. eta vs tors. theta energy: -16.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -384.769364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.769364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.769364 (E_RNA) where: Base-Base interactions energy: -123.621 where: short stacking energy: -97.245 Base-Backbone interact. energy: -0.543 local terms energy: -260.604918 where: bonds (distance) C4'-P energy: -63.743 bonds (distance) P-C4' energy: -77.087 flat angles C4'-P-C4' energy: -78.608 flat angles P-C4'-P energy: -37.855 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -341.308991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.308991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.308991 (E_RNA) where: Base-Base interactions energy: -124.483 where: short stacking energy: -111.870 Base-Backbone interact. energy: 1.229 local terms energy: -218.054733 where: bonds (distance) C4'-P energy: -70.613 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -44.614 flat angles P-C4'-P energy: -29.940 tors. eta vs tors. theta energy: 2.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -299.627389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.627389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.627389 (E_RNA) where: Base-Base interactions energy: -96.657 where: short stacking energy: -75.886 Base-Backbone interact. energy: 0.242 local terms energy: -203.212953 where: bonds (distance) C4'-P energy: -70.543 bonds (distance) P-C4' energy: -64.614 flat angles C4'-P-C4' energy: -45.818 flat angles P-C4'-P energy: -39.447 tors. eta vs tors. theta energy: 17.209 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: 44 Temperature: 0.900000 Total energy: -1239.813675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.813675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.813675 (E_RNA) where: Base-Base interactions energy: -807.530 where: short stacking energy: -364.893 Base-Backbone interact. energy: -1.530 local terms energy: -430.753166 where: bonds (distance) C4'-P energy: -80.132 bonds (distance) P-C4' energy: -85.973 flat angles C4'-P-C4' energy: -85.971 flat angles P-C4'-P energy: -61.853 tors. eta vs tors. theta energy: -116.823 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: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1147.316963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.316963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.316963 (E_RNA) where: Base-Base interactions energy: -771.343 where: short stacking energy: -339.477 Base-Backbone interact. energy: -1.973 local terms energy: -374.000704 where: bonds (distance) C4'-P energy: -69.237 bonds (distance) P-C4' energy: -87.192 flat angles C4'-P-C4' energy: -68.368 flat angles P-C4'-P energy: -47.950 tors. eta vs tors. theta energy: -101.253 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: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1036.196408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.196408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.196408 (E_RNA) where: Base-Base interactions energy: -661.506 where: short stacking energy: -304.246 Base-Backbone interact. energy: 2.695 local terms energy: -377.385455 where: bonds (distance) C4'-P energy: -84.361 bonds (distance) P-C4' energy: -72.205 flat angles C4'-P-C4' energy: -84.155 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -85.551 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: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -993.066390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.066390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.066390 (E_RNA) where: Base-Base interactions energy: -637.182 where: short stacking energy: -270.320 Base-Backbone interact. energy: -1.800 local terms energy: -354.084093 where: bonds (distance) C4'-P energy: -77.840 bonds (distance) P-C4' energy: -73.689 flat angles C4'-P-C4' energy: -79.773 flat angles P-C4'-P energy: -49.981 tors. eta vs tors. theta energy: -72.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -924.636785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.636785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.636785 (E_RNA) where: Base-Base interactions energy: -588.822 where: short stacking energy: -288.488 Base-Backbone interact. energy: -2.027 local terms energy: -333.786872 where: bonds (distance) C4'-P energy: -70.437 bonds (distance) P-C4' energy: -81.610 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: -73.278 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: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -591.896763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.896763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.896763 (E_RNA) where: Base-Base interactions energy: -308.002 where: short stacking energy: -188.189 Base-Backbone interact. energy: 0.040 local terms energy: -283.934442 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -69.304 flat angles C4'-P-C4' energy: -69.951 flat angles P-C4'-P energy: -35.885 tors. eta vs tors. theta energy: -40.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -543.765146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.765146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.765146 (E_RNA) where: Base-Base interactions energy: -281.412 where: short stacking energy: -152.292 Base-Backbone interact. energy: 4.241 local terms energy: -266.594220 where: bonds (distance) C4'-P energy: -55.334 bonds (distance) P-C4' energy: -69.169 flat angles C4'-P-C4' energy: -75.316 flat angles P-C4'-P energy: -38.435 tors. eta vs tors. theta energy: -28.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -369.385360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.385360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.385360 (E_RNA) where: Base-Base interactions energy: -136.567 where: short stacking energy: -92.402 Base-Backbone interact. energy: 1.366 local terms energy: -234.184610 where: bonds (distance) C4'-P energy: -69.700 bonds (distance) P-C4' energy: -82.324 flat angles C4'-P-C4' energy: -57.030 flat angles P-C4'-P energy: -35.703 tors. eta vs tors. theta energy: 10.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -359.894218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.894218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.894218 (E_RNA) where: Base-Base interactions energy: -130.962 where: short stacking energy: -111.072 Base-Backbone interact. energy: 0.229 local terms energy: -229.160936 where: bonds (distance) C4'-P energy: -74.806 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -66.221 flat angles P-C4'-P energy: -27.452 tors. eta vs tors. theta energy: -2.568 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: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -301.758643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.758643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.758643 (E_RNA) where: Base-Base interactions energy: -118.862 where: short stacking energy: -108.234 Base-Backbone interact. energy: -0.504 local terms energy: -182.392740 where: bonds (distance) C4'-P energy: -55.821 bonds (distance) P-C4' energy: -62.302 flat angles C4'-P-C4' energy: -53.676 flat angles P-C4'-P energy: -29.477 tors. eta vs tors. theta energy: 18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1213.274675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.274675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.274675 (E_RNA) where: Base-Base interactions energy: -817.989 where: short stacking energy: -363.059 Base-Backbone interact. energy: -1.723 local terms energy: -393.562756 where: bonds (distance) C4'-P energy: -72.216 bonds (distance) P-C4' energy: -83.084 flat angles C4'-P-C4' energy: -89.872 flat angles P-C4'-P energy: -40.005 tors. eta vs tors. theta energy: -108.385 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: 2, replica: 6 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1185.200762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.200762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.200762 (E_RNA) where: Base-Base interactions energy: -799.705 where: short stacking energy: -373.672 Base-Backbone interact. energy: -2.593 local terms energy: -382.902751 where: bonds (distance) C4'-P energy: -65.591 bonds (distance) P-C4' energy: -78.838 flat angles C4'-P-C4' energy: -90.156 flat angles P-C4'-P energy: -47.510 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: 3, replica: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1030.659369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.659369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.659369 (E_RNA) where: Base-Base interactions energy: -653.582 where: short stacking energy: -300.602 Base-Backbone interact. energy: 1.023 local terms energy: -378.100645 where: bonds (distance) C4'-P energy: -73.074 bonds (distance) P-C4' energy: -77.847 flat angles C4'-P-C4' energy: -87.228 flat angles P-C4'-P energy: -59.076 tors. eta vs tors. theta energy: -80.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1014.024163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.024163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.024163 (E_RNA) where: Base-Base interactions energy: -663.742 where: short stacking energy: -304.933 Base-Backbone interact. energy: -0.215 local terms energy: -350.067317 where: bonds (distance) C4'-P energy: -72.559 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -80.298 flat angles P-C4'-P energy: -56.162 tors. eta vs tors. theta energy: -77.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -914.503396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.503396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.503396 (E_RNA) where: Base-Base interactions energy: -566.649 where: short stacking energy: -242.606 Base-Backbone interact. energy: 1.769 local terms energy: -349.623421 where: bonds (distance) C4'-P energy: -69.969 bonds (distance) P-C4' energy: -72.397 flat angles C4'-P-C4' energy: -74.818 flat angles P-C4'-P energy: -66.100 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: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -571.134910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.134910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.134910 (E_RNA) where: Base-Base interactions energy: -292.645 where: short stacking energy: -175.269 Base-Backbone interact. energy: -0.053 local terms energy: -278.436223 where: bonds (distance) C4'-P energy: -80.567 bonds (distance) P-C4' energy: -66.889 flat angles C4'-P-C4' energy: -58.127 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -25.262 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: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -532.945546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.945546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.945546 (E_RNA) where: Base-Base interactions energy: -271.582 where: short stacking energy: -169.020 Base-Backbone interact. energy: 0.593 local terms energy: -261.956540 where: bonds (distance) C4'-P energy: -70.744 bonds (distance) P-C4' energy: -56.827 flat angles C4'-P-C4' energy: -59.647 flat angles P-C4'-P energy: -43.388 tors. eta vs tors. theta energy: -31.350 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: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -369.785671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.785671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.785671 (E_RNA) where: Base-Base interactions energy: -130.999 where: short stacking energy: -102.215 Base-Backbone interact. energy: 1.194 local terms energy: -239.979767 where: bonds (distance) C4'-P energy: -70.416 bonds (distance) P-C4' energy: -68.779 flat angles C4'-P-C4' energy: -74.897 flat angles P-C4'-P energy: -35.813 tors. eta vs tors. theta energy: 9.925 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: 1 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -356.149404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.149404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.149404 (E_RNA) where: Base-Base interactions energy: -149.070 where: short stacking energy: -111.282 Base-Backbone interact. energy: -1.831 local terms energy: -205.247665 where: bonds (distance) C4'-P energy: -51.423 bonds (distance) P-C4' energy: -71.626 flat angles C4'-P-C4' energy: -61.331 flat angles P-C4'-P energy: -22.408 tors. eta vs tors. theta energy: 1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -323.349723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.349723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.349723 (E_RNA) where: Base-Base interactions energy: -123.358 where: short stacking energy: -97.646 Base-Backbone interact. energy: -1.635 local terms energy: -198.356743 where: bonds (distance) C4'-P energy: -57.356 bonds (distance) P-C4' energy: -65.593 flat angles C4'-P-C4' energy: -60.021 flat angles P-C4'-P energy: -26.333 tors. eta vs tors. theta energy: 10.946 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: 6 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1226.535846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.535846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.535846 (E_RNA) where: Base-Base interactions energy: -822.460 where: short stacking energy: -366.140 Base-Backbone interact. energy: -0.930 local terms energy: -403.145553 where: bonds (distance) C4'-P energy: -73.508 bonds (distance) P-C4' energy: -75.595 flat angles C4'-P-C4' energy: -86.974 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -104.907 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: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1171.792817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.792817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.792817 (E_RNA) where: Base-Base interactions energy: -777.341 where: short stacking energy: -339.571 Base-Backbone interact. energy: -2.440 local terms energy: -392.011623 where: bonds (distance) C4'-P energy: -68.672 bonds (distance) P-C4' energy: -82.461 flat angles C4'-P-C4' energy: -98.306 flat angles P-C4'-P energy: -44.410 tors. eta vs tors. theta energy: -98.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1084.140376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.140376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.140376 (E_RNA) where: Base-Base interactions energy: -729.850 where: short stacking energy: -324.890 Base-Backbone interact. energy: -1.456 local terms energy: -352.834025 where: bonds (distance) C4'-P energy: -66.960 bonds (distance) P-C4' energy: -66.913 flat angles C4'-P-C4' energy: -77.144 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -88.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1046.360356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.360356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.360356 (E_RNA) where: Base-Base interactions energy: -679.211 where: short stacking energy: -314.445 Base-Backbone interact. energy: -1.779 local terms energy: -365.369996 where: bonds (distance) C4'-P energy: -74.724 bonds (distance) P-C4' energy: -63.359 flat angles C4'-P-C4' energy: -82.959 flat angles P-C4'-P energy: -49.535 tors. eta vs tors. theta energy: -94.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -891.701040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.701040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.701040 (E_RNA) where: Base-Base interactions energy: -552.685 where: short stacking energy: -260.838 Base-Backbone interact. energy: -0.762 local terms energy: -338.253985 where: bonds (distance) C4'-P energy: -71.552 bonds (distance) P-C4' energy: -64.520 flat angles C4'-P-C4' energy: -70.901 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -77.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -593.797729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.797729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.797729 (E_RNA) where: Base-Base interactions energy: -323.329 where: short stacking energy: -181.367 Base-Backbone interact. energy: -1.686 local terms energy: -268.782753 where: bonds (distance) C4'-P energy: -61.817 bonds (distance) P-C4' energy: -70.859 flat angles C4'-P-C4' energy: -74.593 flat angles P-C4'-P energy: -35.461 tors. eta vs tors. theta energy: -26.053 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: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -514.576053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.576053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.576053 (E_RNA) where: Base-Base interactions energy: -244.159 where: short stacking energy: -145.300 Base-Backbone interact. energy: -1.314 local terms energy: -269.102495 where: bonds (distance) C4'-P energy: -63.685 bonds (distance) P-C4' energy: -80.728 flat angles C4'-P-C4' energy: -68.042 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: -19.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -483.620640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.620640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.620640 (E_RNA) where: Base-Base interactions energy: -226.533 where: short stacking energy: -141.782 Base-Backbone interact. energy: -1.132 local terms energy: -255.955526 where: bonds (distance) C4'-P energy: -68.093 bonds (distance) P-C4' energy: -62.799 flat angles C4'-P-C4' energy: -74.089 flat angles P-C4'-P energy: -26.799 tors. eta vs tors. theta energy: -24.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -327.117971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.117971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.117971 (E_RNA) where: Base-Base interactions energy: -93.422 where: short stacking energy: -87.498 Base-Backbone interact. energy: -0.592 local terms energy: -233.103949 where: bonds (distance) C4'-P energy: -69.674 bonds (distance) P-C4' energy: -80.175 flat angles C4'-P-C4' energy: -55.259 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: 9.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -313.078826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.078826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.078826 (E_RNA) where: Base-Base interactions energy: -106.660 where: short stacking energy: -79.084 Base-Backbone interact. energy: -0.786 local terms energy: -205.632682 where: bonds (distance) C4'-P energy: -74.777 bonds (distance) P-C4' energy: -56.800 flat angles C4'-P-C4' energy: -60.023 flat angles P-C4'-P energy: -27.737 tors. eta vs tors. theta energy: 13.705 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: 6 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1235.688070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.688070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.688070 (E_RNA) where: Base-Base interactions energy: -822.494 where: short stacking energy: -345.958 Base-Backbone interact. energy: 1.510 local terms energy: -414.703436 where: bonds (distance) C4'-P energy: -82.244 bonds (distance) P-C4' energy: -84.059 flat angles C4'-P-C4' energy: -83.040 flat angles P-C4'-P energy: -60.508 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: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1228.655046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.655046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.655046 (E_RNA) where: Base-Base interactions energy: -828.485 where: short stacking energy: -368.409 Base-Backbone interact. energy: -1.902 local terms energy: -398.267388 where: bonds (distance) C4'-P energy: -76.967 bonds (distance) P-C4' energy: -74.109 flat angles C4'-P-C4' energy: -79.767 flat angles P-C4'-P energy: -61.726 tors. eta vs tors. theta energy: -105.697 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: 47 Temperature: 1.000000 Total energy: -1084.423729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.423729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.423729 (E_RNA) where: Base-Base interactions energy: -712.819 where: short stacking energy: -320.011 Base-Backbone interact. energy: -0.214 local terms energy: -371.391033 where: bonds (distance) C4'-P energy: -68.218 bonds (distance) P-C4' energy: -74.711 flat angles C4'-P-C4' energy: -83.999 flat angles P-C4'-P energy: -49.514 tors. eta vs tors. theta energy: -94.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1045.114065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.114065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.114065 (E_RNA) where: Base-Base interactions energy: -670.787 where: short stacking energy: -308.102 Base-Backbone interact. energy: 0.116 local terms energy: -374.442951 where: bonds (distance) C4'-P energy: -69.558 bonds (distance) P-C4' energy: -78.807 flat angles C4'-P-C4' energy: -83.855 flat angles P-C4'-P energy: -56.120 tors. eta vs tors. theta energy: -86.102 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: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -858.110168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.110168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.110168 (E_RNA) where: Base-Base interactions energy: -522.151 where: short stacking energy: -265.997 Base-Backbone interact. energy: -2.657 local terms energy: -333.302045 where: bonds (distance) C4'-P energy: -67.690 bonds (distance) P-C4' energy: -67.178 flat angles C4'-P-C4' energy: -79.612 flat angles P-C4'-P energy: -44.327 tors. eta vs tors. theta energy: -74.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -616.387137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.387137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.387137 (E_RNA) where: Base-Base interactions energy: -330.280 where: short stacking energy: -167.321 Base-Backbone interact. energy: -2.491 local terms energy: -283.616389 where: bonds (distance) C4'-P energy: -76.607 bonds (distance) P-C4' energy: -74.189 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -43.029 tors. eta vs tors. theta energy: -18.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -502.424625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.424625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.424625 (E_RNA) where: Base-Base interactions energy: -244.132 where: short stacking energy: -155.802 Base-Backbone interact. energy: -0.190 local terms energy: -258.102369 where: bonds (distance) C4'-P energy: -61.771 bonds (distance) P-C4' energy: -79.404 flat angles C4'-P-C4' energy: -53.579 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: -19.294 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: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -453.766239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.766239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.766239 (E_RNA) where: Base-Base interactions energy: -215.559 where: short stacking energy: -126.941 Base-Backbone interact. energy: -0.515 local terms energy: -237.692058 where: bonds (distance) C4'-P energy: -77.962 bonds (distance) P-C4' energy: -58.042 flat angles C4'-P-C4' energy: -69.830 flat angles P-C4'-P energy: -27.748 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -356.902580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.902580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.902580 (E_RNA) where: Base-Base interactions energy: -132.590 where: short stacking energy: -99.367 Base-Backbone interact. energy: 1.554 local terms energy: -225.865986 where: bonds (distance) C4'-P energy: -56.925 bonds (distance) P-C4' energy: -65.949 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -37.944 tors. eta vs tors. theta energy: 7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -316.087249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.087249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.087249 (E_RNA) where: Base-Base interactions energy: -124.329 where: short stacking energy: -96.684 Base-Backbone interact. energy: 6.184 local terms energy: -197.941838 where: bonds (distance) C4'-P energy: -66.619 bonds (distance) P-C4' energy: -74.394 flat angles C4'-P-C4' energy: -48.785 flat angles P-C4'-P energy: -32.475 tors. eta vs tors. theta energy: 24.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1262.052529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.052529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.052529 (E_RNA) where: Base-Base interactions energy: -849.782 where: short stacking energy: -359.777 Base-Backbone interact. energy: -4.267 local terms energy: -408.003002 where: bonds (distance) C4'-P energy: -76.542 bonds (distance) P-C4' energy: -67.440 flat angles C4'-P-C4' energy: -92.039 flat angles P-C4'-P energy: -64.204 tors. eta vs tors. theta energy: -107.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1226.672609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.672609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.672609 (E_RNA) where: Base-Base interactions energy: -829.508 where: short stacking energy: -367.422 Base-Backbone interact. energy: -2.728 local terms energy: -394.436478 where: bonds (distance) C4'-P energy: -71.073 bonds (distance) P-C4' energy: -74.399 flat angles C4'-P-C4' energy: -81.195 flat angles P-C4'-P energy: -58.173 tors. eta vs tors. theta energy: -109.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1035.730321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.730321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.730321 (E_RNA) where: Base-Base interactions energy: -664.069 where: short stacking energy: -289.216 Base-Backbone interact. energy: -1.551 local terms energy: -370.110344 where: bonds (distance) C4'-P energy: -68.787 bonds (distance) P-C4' energy: -80.393 flat angles C4'-P-C4' energy: -85.758 flat angles P-C4'-P energy: -53.717 tors. eta vs tors. theta energy: -81.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1039.885716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.885716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.885716 (E_RNA) where: Base-Base interactions energy: -692.709 where: short stacking energy: -283.211 Base-Backbone interact. energy: -1.871 local terms energy: -345.306036 where: bonds (distance) C4'-P energy: -69.095 bonds (distance) P-C4' energy: -70.056 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -43.333 tors. eta vs tors. theta energy: -90.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -897.398414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.398414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.398414 (E_RNA) where: Base-Base interactions energy: -551.750 where: short stacking energy: -271.836 Base-Backbone interact. energy: -0.469 local terms energy: -345.179340 where: bonds (distance) C4'-P energy: -65.747 bonds (distance) P-C4' energy: -79.314 flat angles C4'-P-C4' energy: -77.125 flat angles P-C4'-P energy: -55.017 tors. eta vs tors. theta energy: -67.976 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: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -576.639713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.639713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.639713 (E_RNA) where: Base-Base interactions energy: -308.780 where: short stacking energy: -180.022 Base-Backbone interact. energy: -2.174 local terms energy: -265.685628 where: bonds (distance) C4'-P energy: -56.708 bonds (distance) P-C4' energy: -63.531 flat angles C4'-P-C4' energy: -71.636 flat angles P-C4'-P energy: -42.999 tors. eta vs tors. theta energy: -30.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -519.673540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.673540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.673540 (E_RNA) where: Base-Base interactions energy: -256.539 where: short stacking energy: -163.323 Base-Backbone interact. energy: 0.259 local terms energy: -263.393415 where: bonds (distance) C4'-P energy: -68.537 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -57.977 flat angles P-C4'-P energy: -43.765 tors. eta vs tors. theta energy: -25.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -424.100457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.100457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.100457 (E_RNA) where: Base-Base interactions energy: -204.460 where: short stacking energy: -133.665 Base-Backbone interact. energy: -1.252 local terms energy: -218.388495 where: bonds (distance) C4'-P energy: -65.212 bonds (distance) P-C4' energy: -66.238 flat angles C4'-P-C4' energy: -59.576 flat angles P-C4'-P energy: -29.654 tors. eta vs tors. theta energy: 2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -359.135801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.135801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.135801 (E_RNA) where: Base-Base interactions energy: -131.477 where: short stacking energy: -114.988 Base-Backbone interact. energy: 1.553 local terms energy: -229.211192 where: bonds (distance) C4'-P energy: -75.812 bonds (distance) P-C4' energy: -62.460 flat angles C4'-P-C4' energy: -57.054 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: 6.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -337.108429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.108429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.108429 (E_RNA) where: Base-Base interactions energy: -133.864 where: short stacking energy: -82.534 Base-Backbone interact. energy: -1.145 local terms energy: -202.099164 where: bonds (distance) C4'-P energy: -72.444 bonds (distance) P-C4' energy: -71.983 flat angles C4'-P-C4' energy: -57.614 flat angles P-C4'-P energy: -23.288 tors. eta vs tors. theta energy: 23.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1253.128806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.128806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.128806 (E_RNA) where: Base-Base interactions energy: -845.905 where: short stacking energy: -364.756 Base-Backbone interact. energy: -1.026 local terms energy: -406.197497 where: bonds (distance) C4'-P energy: -81.539 bonds (distance) P-C4' energy: -88.274 flat angles C4'-P-C4' energy: -80.996 flat angles P-C4'-P energy: -50.715 tors. eta vs tors. theta energy: -104.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1212.117755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.117755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.117755 (E_RNA) where: Base-Base interactions energy: -795.750 where: short stacking energy: -358.065 Base-Backbone interact. energy: 2.304 local terms energy: -418.671059 where: bonds (distance) C4'-P energy: -82.872 bonds (distance) P-C4' energy: -76.530 flat angles C4'-P-C4' energy: -81.379 flat angles P-C4'-P energy: -69.622 tors. eta vs tors. theta energy: -108.268 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: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1045.914832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.914832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.914832 (E_RNA) where: Base-Base interactions energy: -676.521 where: short stacking energy: -315.886 Base-Backbone interact. energy: 1.121 local terms energy: -370.514915 where: bonds (distance) C4'-P energy: -72.850 bonds (distance) P-C4' energy: -84.539 flat angles C4'-P-C4' energy: -77.836 flat angles P-C4'-P energy: -51.844 tors. eta vs tors. theta energy: -83.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1034.070628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.070628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.070628 (E_RNA) where: Base-Base interactions energy: -682.200 where: short stacking energy: -305.823 Base-Backbone interact. energy: -1.616 local terms energy: -350.254435 where: bonds (distance) C4'-P energy: -79.508 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -83.406 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: -77.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -872.699256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.699256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.699256 (E_RNA) where: Base-Base interactions energy: -545.000 where: short stacking energy: -251.934 Base-Backbone interact. energy: 1.675 local terms energy: -329.375161 where: bonds (distance) C4'-P energy: -76.352 bonds (distance) P-C4' energy: -78.161 flat angles C4'-P-C4' energy: -69.471 flat angles P-C4'-P energy: -46.645 tors. eta vs tors. theta energy: -58.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -606.329841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.329841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.329841 (E_RNA) where: Base-Base interactions energy: -300.589 where: short stacking energy: -167.887 Base-Backbone interact. energy: -1.674 local terms energy: -304.067695 where: bonds (distance) C4'-P energy: -79.637 bonds (distance) P-C4' energy: -76.608 flat angles C4'-P-C4' energy: -65.145 flat angles P-C4'-P energy: -56.848 tors. eta vs tors. theta energy: -25.830 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: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -508.310129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.310129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.310129 (E_RNA) where: Base-Base interactions energy: -233.851 where: short stacking energy: -141.507 Base-Backbone interact. energy: -0.853 local terms energy: -273.605796 where: bonds (distance) C4'-P energy: -65.005 bonds (distance) P-C4' energy: -73.747 flat angles C4'-P-C4' energy: -68.113 flat angles P-C4'-P energy: -50.511 tors. eta vs tors. theta energy: -16.230 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: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -420.810293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.810293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.810293 (E_RNA) where: Base-Base interactions energy: -212.201 where: short stacking energy: -112.176 Base-Backbone interact. energy: -0.136 local terms energy: -208.473344 where: bonds (distance) C4'-P energy: -69.764 bonds (distance) P-C4' energy: -58.354 flat angles C4'-P-C4' energy: -62.433 flat angles P-C4'-P energy: -25.916 tors. eta vs tors. theta energy: 7.993 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: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -335.145007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.145007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.145007 (E_RNA) where: Base-Base interactions energy: -122.301 where: short stacking energy: -79.406 Base-Backbone interact. energy: -3.628 local terms energy: -209.215923 where: bonds (distance) C4'-P energy: -61.580 bonds (distance) P-C4' energy: -62.261 flat angles C4'-P-C4' energy: -63.071 flat angles P-C4'-P energy: -36.699 tors. eta vs tors. theta energy: 14.395 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: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -362.374530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.374530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.374530 (E_RNA) where: Base-Base interactions energy: -152.454 where: short stacking energy: -105.845 Base-Backbone interact. energy: 0.572 local terms energy: -210.492678 where: bonds (distance) C4'-P energy: -62.926 bonds (distance) P-C4' energy: -56.589 flat angles C4'-P-C4' energy: -60.471 flat angles P-C4'-P energy: -37.426 tors. eta vs tors. theta energy: 6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1276.700319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.700319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.700319 (E_RNA) where: Base-Base interactions energy: -858.421 where: short stacking energy: -355.369 Base-Backbone interact. energy: -1.893 local terms energy: -416.386786 where: bonds (distance) C4'-P energy: -83.121 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -92.793 flat angles P-C4'-P energy: -56.391 tors. eta vs tors. theta energy: -108.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1216.509287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.509287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.509287 (E_RNA) where: Base-Base interactions energy: -822.772 where: short stacking energy: -365.956 Base-Backbone interact. energy: -2.695 local terms energy: -391.042301 where: bonds (distance) C4'-P energy: -76.917 bonds (distance) P-C4' energy: -77.214 flat angles C4'-P-C4' energy: -76.075 flat angles P-C4'-P energy: -50.708 tors. eta vs tors. theta energy: -110.128 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: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1114.880110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.880110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.880110 (E_RNA) where: Base-Base interactions energy: -742.100 where: short stacking energy: -318.496 Base-Backbone interact. energy: -0.678 local terms energy: -372.102034 where: bonds (distance) C4'-P energy: -75.258 bonds (distance) P-C4' energy: -72.473 flat angles C4'-P-C4' energy: -91.769 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: -83.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -996.336921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.336921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.336921 (E_RNA) where: Base-Base interactions energy: -651.730 where: short stacking energy: -304.175 Base-Backbone interact. energy: -0.699 local terms energy: -343.907573 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -76.449 flat angles P-C4'-P energy: -50.768 tors. eta vs tors. theta energy: -87.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -891.552156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.552156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.552156 (E_RNA) where: Base-Base interactions energy: -564.206 where: short stacking energy: -252.156 Base-Backbone interact. energy: -1.802 local terms energy: -325.544372 where: bonds (distance) C4'-P energy: -68.284 bonds (distance) P-C4' energy: -77.268 flat angles C4'-P-C4' energy: -72.793 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -63.379 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: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -688.885979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.885979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.885979 (E_RNA) where: Base-Base interactions energy: -416.400 where: short stacking energy: -208.410 Base-Backbone interact. energy: -3.576 local terms energy: -268.909452 where: bonds (distance) C4'-P energy: -55.235 bonds (distance) P-C4' energy: -69.701 flat angles C4'-P-C4' energy: -63.973 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -39.370 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: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -480.994486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.994486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.994486 (E_RNA) where: Base-Base interactions energy: -254.373 where: short stacking energy: -144.936 Base-Backbone interact. energy: 0.208 local terms energy: -226.829745 where: bonds (distance) C4'-P energy: -59.919 bonds (distance) P-C4' energy: -74.278 flat angles C4'-P-C4' energy: -46.580 flat angles P-C4'-P energy: -36.224 tors. eta vs tors. theta energy: -9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -378.357707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.357707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.357707 (E_RNA) where: Base-Base interactions energy: -153.913 where: short stacking energy: -96.647 Base-Backbone interact. energy: -1.872 local terms energy: -222.572701 where: bonds (distance) C4'-P energy: -60.696 bonds (distance) P-C4' energy: -67.929 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -44.146 tors. eta vs tors. theta energy: 8.079 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: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -331.276697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.276697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.276697 (E_RNA) where: Base-Base interactions energy: -122.061 where: short stacking energy: -92.534 Base-Backbone interact. energy: 0.843 local terms energy: -210.058934 where: bonds (distance) C4'-P energy: -53.272 bonds (distance) P-C4' energy: -77.900 flat angles C4'-P-C4' energy: -64.356 flat angles P-C4'-P energy: -21.123 tors. eta vs tors. theta energy: 6.592 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: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -332.632194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.632194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.632194 (E_RNA) where: Base-Base interactions energy: -120.674 where: short stacking energy: -99.248 Base-Backbone interact. energy: 1.882 local terms energy: -213.840718 where: bonds (distance) C4'-P energy: -78.500 bonds (distance) P-C4' energy: -80.403 flat angles C4'-P-C4' energy: -40.650 flat angles P-C4'-P energy: -24.006 tors. eta vs tors. theta energy: 9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1273.802287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.802287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.802287 (E_RNA) where: Base-Base interactions energy: -841.318 where: short stacking energy: -367.599 Base-Backbone interact. energy: -4.074 local terms energy: -428.409977 where: bonds (distance) C4'-P energy: -81.507 bonds (distance) P-C4' energy: -77.300 flat angles C4'-P-C4' energy: -92.758 flat angles P-C4'-P energy: -63.311 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: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1208.136257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.136257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.136257 (E_RNA) where: Base-Base interactions energy: -808.889 where: short stacking energy: -362.238 Base-Backbone interact. energy: -2.113 local terms energy: -397.134711 where: bonds (distance) C4'-P energy: -68.278 bonds (distance) P-C4' energy: -76.139 flat angles C4'-P-C4' energy: -78.322 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: -110.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1084.509692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.509692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.509692 (E_RNA) where: Base-Base interactions energy: -710.784 where: short stacking energy: -301.660 Base-Backbone interact. energy: -1.670 local terms energy: -372.056032 where: bonds (distance) C4'-P energy: -83.204 bonds (distance) P-C4' energy: -66.589 flat angles C4'-P-C4' energy: -86.566 flat angles P-C4'-P energy: -51.562 tors. eta vs tors. theta energy: -84.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1030.251694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.251694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.251694 (E_RNA) where: Base-Base interactions energy: -668.691 where: short stacking energy: -304.894 Base-Backbone interact. energy: 2.169 local terms energy: -363.730206 where: bonds (distance) C4'-P energy: -63.548 bonds (distance) P-C4' energy: -80.463 flat angles C4'-P-C4' energy: -81.123 flat angles P-C4'-P energy: -48.811 tors. eta vs tors. theta energy: -89.785 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: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -897.654910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.654910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.654910 (E_RNA) where: Base-Base interactions energy: -557.243 where: short stacking energy: -250.075 Base-Backbone interact. energy: -1.461 local terms energy: -338.951187 where: bonds (distance) C4'-P energy: -58.533 bonds (distance) P-C4' energy: -80.776 flat angles C4'-P-C4' energy: -72.432 flat angles P-C4'-P energy: -57.119 tors. eta vs tors. theta energy: -70.091 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: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -828.438138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.438138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.438138 (E_RNA) where: Base-Base interactions energy: -526.758 where: short stacking energy: -220.893 Base-Backbone interact. energy: -1.068 local terms energy: -300.612208 where: bonds (distance) C4'-P energy: -73.026 bonds (distance) P-C4' energy: -72.798 flat angles C4'-P-C4' energy: -69.854 flat angles P-C4'-P energy: -34.233 tors. eta vs tors. theta energy: -50.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -465.541699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.541699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.541699 (E_RNA) where: Base-Base interactions energy: -207.911 where: short stacking energy: -145.212 Base-Backbone interact. energy: -2.280 local terms energy: -255.350944 where: bonds (distance) C4'-P energy: -60.221 bonds (distance) P-C4' energy: -70.073 flat angles C4'-P-C4' energy: -69.822 flat angles P-C4'-P energy: -43.363 tors. eta vs tors. theta energy: -11.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -364.046499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.046499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.046499 (E_RNA) where: Base-Base interactions energy: -138.766 where: short stacking energy: -107.898 Base-Backbone interact. energy: -0.070 local terms energy: -225.210469 where: bonds (distance) C4'-P energy: -52.348 bonds (distance) P-C4' energy: -67.439 flat angles C4'-P-C4' energy: -66.707 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: 9.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -385.753702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.753702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.753702 (E_RNA) where: Base-Base interactions energy: -154.567 where: short stacking energy: -118.486 Base-Backbone interact. energy: -2.448 local terms energy: -228.739211 where: bonds (distance) C4'-P energy: -59.286 bonds (distance) P-C4' energy: -61.060 flat angles C4'-P-C4' energy: -62.584 flat angles P-C4'-P energy: -33.274 tors. eta vs tors. theta energy: -12.535 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: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -327.671808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.671808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.671808 (E_RNA) where: Base-Base interactions energy: -120.521 where: short stacking energy: -78.374 Base-Backbone interact. energy: -3.878 local terms energy: -203.273364 where: bonds (distance) C4'-P energy: -49.678 bonds (distance) P-C4' energy: -74.823 flat angles C4'-P-C4' energy: -62.237 flat angles P-C4'-P energy: -39.295 tors. eta vs tors. theta energy: 22.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1271.483636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.483636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.483636 (E_RNA) where: Base-Base interactions energy: -862.621 where: short stacking energy: -366.173 Base-Backbone interact. energy: -2.190 local terms energy: -406.672650 where: bonds (distance) C4'-P energy: -80.466 bonds (distance) P-C4' energy: -68.960 flat angles C4'-P-C4' energy: -91.149 flat angles P-C4'-P energy: -53.718 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: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1222.852812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.852812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.852812 (E_RNA) where: Base-Base interactions energy: -813.858 where: short stacking energy: -345.392 Base-Backbone interact. energy: -0.727 local terms energy: -408.267961 where: bonds (distance) C4'-P energy: -68.734 bonds (distance) P-C4' energy: -80.679 flat angles C4'-P-C4' energy: -79.504 flat angles P-C4'-P energy: -64.807 tors. eta vs tors. theta energy: -114.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1095.269034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.269034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.269034 (E_RNA) where: Base-Base interactions energy: -717.297 where: short stacking energy: -293.803 Base-Backbone interact. energy: 3.330 local terms energy: -381.301270 where: bonds (distance) C4'-P energy: -90.193 bonds (distance) P-C4' energy: -78.439 flat angles C4'-P-C4' energy: -73.249 flat angles P-C4'-P energy: -49.352 tors. eta vs tors. theta energy: -90.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1040.484128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.484128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.484128 (E_RNA) where: Base-Base interactions energy: -671.029 where: short stacking energy: -313.554 Base-Backbone interact. energy: 0.137 local terms energy: -369.592571 where: bonds (distance) C4'-P energy: -67.607 bonds (distance) P-C4' energy: -86.979 flat angles C4'-P-C4' energy: -73.986 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -103.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -909.234182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.234182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.234182 (E_RNA) where: Base-Base interactions energy: -597.451 where: short stacking energy: -265.271 Base-Backbone interact. energy: -2.015 local terms energy: -309.768377 where: bonds (distance) C4'-P energy: -58.438 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -75.577 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -68.427 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: 8 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -829.216698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.216698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.216698 (E_RNA) where: Base-Base interactions energy: -541.182 where: short stacking energy: -238.720 Base-Backbone interact. energy: 0.742 local terms energy: -288.776578 where: bonds (distance) C4'-P energy: -71.570 bonds (distance) P-C4' energy: -67.372 flat angles C4'-P-C4' energy: -60.002 flat angles P-C4'-P energy: -34.117 tors. eta vs tors. theta energy: -55.716 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: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -530.670671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.670671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.670671 (E_RNA) where: Base-Base interactions energy: -250.562 where: short stacking energy: -155.671 Base-Backbone interact. energy: 4.582 local terms energy: -284.690756 where: bonds (distance) C4'-P energy: -64.632 bonds (distance) P-C4' energy: -85.041 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -39.216 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -404.060996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.060996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.060996 (E_RNA) where: Base-Base interactions energy: -173.649 where: short stacking energy: -103.842 Base-Backbone interact. energy: -1.377 local terms energy: -229.035254 where: bonds (distance) C4'-P energy: -64.341 bonds (distance) P-C4' energy: -81.900 flat angles C4'-P-C4' energy: -58.667 flat angles P-C4'-P energy: -20.929 tors. eta vs tors. theta energy: -3.197 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: 1 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -341.943459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.943459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.943459 (E_RNA) where: Base-Base interactions energy: -119.811 where: short stacking energy: -87.739 Base-Backbone interact. energy: 0.292 local terms energy: -222.423907 where: bonds (distance) C4'-P energy: -74.966 bonds (distance) P-C4' energy: -71.464 flat angles C4'-P-C4' energy: -60.125 flat angles P-C4'-P energy: -26.262 tors. eta vs tors. theta energy: 10.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -300.303185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.303185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.303185 (E_RNA) where: Base-Base interactions energy: -106.303 where: short stacking energy: -79.640 Base-Backbone interact. energy: 3.850 local terms energy: -197.850643 where: bonds (distance) C4'-P energy: -66.546 bonds (distance) P-C4' energy: -60.006 flat angles C4'-P-C4' energy: -54.404 flat angles P-C4'-P energy: -41.578 tors. eta vs tors. theta energy: 24.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1268.264069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.264069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.264069 (E_RNA) where: Base-Base interactions energy: -842.813 where: short stacking energy: -369.073 Base-Backbone interact. energy: -1.437 local terms energy: -424.013536 where: bonds (distance) C4'-P energy: -87.259 bonds (distance) P-C4' energy: -82.888 flat angles C4'-P-C4' energy: -85.396 flat angles P-C4'-P energy: -58.172 tors. eta vs tors. theta energy: -110.299 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: 2, replica: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1209.100037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.100037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.100037 (E_RNA) where: Base-Base interactions energy: -822.036 where: short stacking energy: -339.649 Base-Backbone interact. energy: -4.057 local terms energy: -383.007108 where: bonds (distance) C4'-P energy: -86.716 bonds (distance) P-C4' energy: -66.443 flat angles C4'-P-C4' energy: -85.562 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -102.219 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: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1095.912705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.912705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.912705 (E_RNA) where: Base-Base interactions energy: -706.177 where: short stacking energy: -317.891 Base-Backbone interact. energy: -1.668 local terms energy: -388.067833 where: bonds (distance) C4'-P energy: -74.855 bonds (distance) P-C4' energy: -67.651 flat angles C4'-P-C4' energy: -94.176 flat angles P-C4'-P energy: -54.111 tors. eta vs tors. theta energy: -97.274 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: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1032.498273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.498273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.498273 (E_RNA) where: Base-Base interactions energy: -656.053 where: short stacking energy: -311.381 Base-Backbone interact. energy: 2.779 local terms energy: -379.224838 where: bonds (distance) C4'-P energy: -73.663 bonds (distance) P-C4' energy: -77.464 flat angles C4'-P-C4' energy: -74.672 flat angles P-C4'-P energy: -56.753 tors. eta vs tors. theta energy: -96.674 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: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -942.103010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.103010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.103010 (E_RNA) where: Base-Base interactions energy: -643.109 where: short stacking energy: -250.227 Base-Backbone interact. energy: 0.007 local terms energy: -299.001119 where: bonds (distance) C4'-P energy: -54.857 bonds (distance) P-C4' energy: -63.960 flat angles C4'-P-C4' energy: -76.994 flat angles P-C4'-P energy: -44.292 tors. eta vs tors. theta energy: -58.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -775.149473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.149473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.149473 (E_RNA) where: Base-Base interactions energy: -491.591 where: short stacking energy: -198.785 Base-Backbone interact. energy: 1.586 local terms energy: -285.144509 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -68.032 flat angles C4'-P-C4' energy: -67.326 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: -48.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -447.253764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.253764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.253764 (E_RNA) where: Base-Base interactions energy: -193.700 where: short stacking energy: -111.371 Base-Backbone interact. energy: 0.863 local terms energy: -254.416816 where: bonds (distance) C4'-P energy: -78.532 bonds (distance) P-C4' energy: -82.902 flat angles C4'-P-C4' energy: -55.581 flat angles P-C4'-P energy: -43.466 tors. eta vs tors. theta energy: 6.064 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: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -422.669223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.669223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.669223 (E_RNA) where: Base-Base interactions energy: -194.724 where: short stacking energy: -110.842 Base-Backbone interact. energy: 0.129 local terms energy: -228.074001 where: bonds (distance) C4'-P energy: -62.215 bonds (distance) P-C4' energy: -68.938 flat angles C4'-P-C4' energy: -53.154 flat angles P-C4'-P energy: -37.798 tors. eta vs tors. theta energy: -5.969 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: 1 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -330.115501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.115501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.115501 (E_RNA) where: Base-Base interactions energy: -105.969 where: short stacking energy: -81.606 Base-Backbone interact. energy: 0.929 local terms energy: -225.075240 where: bonds (distance) C4'-P energy: -62.405 bonds (distance) P-C4' energy: -62.153 flat angles C4'-P-C4' energy: -66.096 flat angles P-C4'-P energy: -36.408 tors. eta vs tors. theta energy: 1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -306.066610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.066610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.066610 (E_RNA) where: Base-Base interactions energy: -89.873 where: short stacking energy: -50.495 Base-Backbone interact. energy: 2.547 local terms energy: -218.740511 where: bonds (distance) C4'-P energy: -80.266 bonds (distance) P-C4' energy: -62.261 flat angles C4'-P-C4' energy: -57.130 flat angles P-C4'-P energy: -44.826 tors. eta vs tors. theta energy: 25.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1285.105450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.105450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.105450 (E_RNA) where: Base-Base interactions energy: -864.961 where: short stacking energy: -371.998 Base-Backbone interact. energy: -2.591 local terms energy: -417.552596 where: bonds (distance) C4'-P energy: -86.238 bonds (distance) P-C4' energy: -67.265 flat angles C4'-P-C4' energy: -76.717 flat angles P-C4'-P energy: -69.385 tors. eta vs tors. theta energy: -117.949 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: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1247.485301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.485301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.485301 (E_RNA) where: Base-Base interactions energy: -835.021 where: short stacking energy: -370.124 Base-Backbone interact. energy: -3.613 local terms energy: -408.851520 where: bonds (distance) C4'-P energy: -88.176 bonds (distance) P-C4' energy: -74.397 flat angles C4'-P-C4' energy: -81.391 flat angles P-C4'-P energy: -46.803 tors. eta vs tors. theta energy: -118.085 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: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1036.707357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.707357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.707357 (E_RNA) where: Base-Base interactions energy: -669.136 where: short stacking energy: -314.658 Base-Backbone interact. energy: 1.472 local terms energy: -369.042785 where: bonds (distance) C4'-P energy: -78.250 bonds (distance) P-C4' energy: -74.741 flat angles C4'-P-C4' energy: -69.839 flat angles P-C4'-P energy: -50.933 tors. eta vs tors. theta energy: -95.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1045.523423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.523423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.523423 (E_RNA) where: Base-Base interactions energy: -686.144 where: short stacking energy: -289.634 Base-Backbone interact. energy: -2.336 local terms energy: -357.043389 where: bonds (distance) C4'-P energy: -61.314 bonds (distance) P-C4' energy: -79.494 flat angles C4'-P-C4' energy: -81.043 flat angles P-C4'-P energy: -52.832 tors. eta vs tors. theta energy: -82.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -920.299333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.299333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.299333 (E_RNA) where: Base-Base interactions energy: -571.724 where: short stacking energy: -241.774 Base-Backbone interact. energy: -1.676 local terms energy: -346.899361 where: bonds (distance) C4'-P energy: -75.468 bonds (distance) P-C4' energy: -80.902 flat angles C4'-P-C4' energy: -79.147 flat angles P-C4'-P energy: -53.254 tors. eta vs tors. theta energy: -58.129 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: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -791.143007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.143007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.143007 (E_RNA) where: Base-Base interactions energy: -468.547 where: short stacking energy: -232.657 Base-Backbone interact. energy: -3.084 local terms energy: -319.512131 where: bonds (distance) C4'-P energy: -72.362 bonds (distance) P-C4' energy: -71.736 flat angles C4'-P-C4' energy: -73.774 flat angles P-C4'-P energy: -50.132 tors. eta vs tors. theta energy: -51.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -484.467363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.467363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.467363 (E_RNA) where: Base-Base interactions energy: -211.670 where: short stacking energy: -153.339 Base-Backbone interact. energy: -0.412 local terms energy: -272.385323 where: bonds (distance) C4'-P energy: -76.636 bonds (distance) P-C4' energy: -66.465 flat angles C4'-P-C4' energy: -80.568 flat angles P-C4'-P energy: -30.098 tors. eta vs tors. theta energy: -18.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -364.373742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.373742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.373742 (E_RNA) where: Base-Base interactions energy: -158.019 where: short stacking energy: -106.405 Base-Backbone interact. energy: -0.194 local terms energy: -206.160505 where: bonds (distance) C4'-P energy: -51.268 bonds (distance) P-C4' energy: -72.942 flat angles C4'-P-C4' energy: -55.891 flat angles P-C4'-P energy: -35.564 tors. eta vs tors. theta energy: 9.504 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: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -357.849785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.849785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.849785 (E_RNA) where: Base-Base interactions energy: -123.932 where: short stacking energy: -107.838 Base-Backbone interact. energy: -0.258 local terms energy: -233.659002 where: bonds (distance) C4'-P energy: -64.964 bonds (distance) P-C4' energy: -67.009 flat angles C4'-P-C4' energy: -62.592 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -7.953 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: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -318.800778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.800778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.800778 (E_RNA) where: Base-Base interactions energy: -105.065 where: short stacking energy: -95.701 Base-Backbone interact. energy: -1.956 local terms energy: -211.779488 where: bonds (distance) C4'-P energy: -64.770 bonds (distance) P-C4' energy: -71.956 flat angles C4'-P-C4' energy: -54.638 flat angles P-C4'-P energy: -36.631 tors. eta vs tors. theta energy: 16.214 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: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1262.513709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.513709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.513709 (E_RNA) where: Base-Base interactions energy: -857.060 where: short stacking energy: -344.687 Base-Backbone interact. energy: -3.269 local terms energy: -402.185523 where: bonds (distance) C4'-P energy: -73.142 bonds (distance) P-C4' energy: -90.358 flat angles C4'-P-C4' energy: -82.663 flat angles P-C4'-P energy: -60.834 tors. eta vs tors. theta energy: -95.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1235.329256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.329256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.329256 (E_RNA) where: Base-Base interactions energy: -834.135 where: short stacking energy: -367.014 Base-Backbone interact. energy: 1.747 local terms energy: -402.940919 where: bonds (distance) C4'-P energy: -70.626 bonds (distance) P-C4' energy: -75.204 flat angles C4'-P-C4' energy: -83.325 flat angles P-C4'-P energy: -56.550 tors. eta vs tors. theta energy: -117.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1050.987942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.987942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.987942 (E_RNA) where: Base-Base interactions energy: -679.597 where: short stacking energy: -302.410 Base-Backbone interact. energy: -0.528 local terms energy: -370.863355 where: bonds (distance) C4'-P energy: -65.387 bonds (distance) P-C4' energy: -81.585 flat angles C4'-P-C4' energy: -74.021 flat angles P-C4'-P energy: -52.098 tors. eta vs tors. theta energy: -97.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1021.110704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.110704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.110704 (E_RNA) where: Base-Base interactions energy: -672.633 where: short stacking energy: -289.028 Base-Backbone interact. energy: -1.231 local terms energy: -347.246418 where: bonds (distance) C4'-P energy: -78.719 bonds (distance) P-C4' energy: -67.766 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -39.497 tors. eta vs tors. theta energy: -88.784 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: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -942.620027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.620027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.620027 (E_RNA) where: Base-Base interactions energy: -604.529 where: short stacking energy: -278.113 Base-Backbone interact. energy: -1.888 local terms energy: -336.202845 where: bonds (distance) C4'-P energy: -75.641 bonds (distance) P-C4' energy: -65.721 flat angles C4'-P-C4' energy: -76.040 flat angles P-C4'-P energy: -53.212 tors. eta vs tors. theta energy: -65.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -823.510269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.510269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.510269 (E_RNA) where: Base-Base interactions energy: -510.318 where: short stacking energy: -232.493 Base-Backbone interact. energy: -1.976 local terms energy: -311.216684 where: bonds (distance) C4'-P energy: -67.750 bonds (distance) P-C4' energy: -67.374 flat angles C4'-P-C4' energy: -83.819 flat angles P-C4'-P energy: -41.101 tors. eta vs tors. theta energy: -51.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -503.857316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.857316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.857316 (E_RNA) where: Base-Base interactions energy: -250.285 where: short stacking energy: -126.850 Base-Backbone interact. energy: -0.282 local terms energy: -253.291070 where: bonds (distance) C4'-P energy: -65.265 bonds (distance) P-C4' energy: -78.741 flat angles C4'-P-C4' energy: -61.211 flat angles P-C4'-P energy: -38.480 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: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -367.945420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.945420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.945420 (E_RNA) where: Base-Base interactions energy: -159.401 where: short stacking energy: -102.642 Base-Backbone interact. energy: 1.024 local terms energy: -209.569136 where: bonds (distance) C4'-P energy: -66.111 bonds (distance) P-C4' energy: -60.023 flat angles C4'-P-C4' energy: -51.428 flat angles P-C4'-P energy: -34.738 tors. eta vs tors. theta energy: 2.730 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: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -337.989670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.989670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.989670 (E_RNA) where: Base-Base interactions energy: -111.317 where: short stacking energy: -81.328 Base-Backbone interact. energy: -2.058 local terms energy: -224.614962 where: bonds (distance) C4'-P energy: -63.419 bonds (distance) P-C4' energy: -77.801 flat angles C4'-P-C4' energy: -47.050 flat angles P-C4'-P energy: -44.667 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: 10, replica: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -342.518533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.518533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.518533 (E_RNA) where: Base-Base interactions energy: -120.940 where: short stacking energy: -81.559 Base-Backbone interact. energy: -0.494 local terms energy: -221.084233 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -72.203 flat angles C4'-P-C4' energy: -67.703 flat angles P-C4'-P energy: -25.721 tors. eta vs tors. theta energy: 5.936 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: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1255.253882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.253882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.253882 (E_RNA) where: Base-Base interactions energy: -868.609 where: short stacking energy: -364.528 Base-Backbone interact. energy: -0.146 local terms energy: -386.498905 where: bonds (distance) C4'-P energy: -67.932 bonds (distance) P-C4' energy: -73.918 flat angles C4'-P-C4' energy: -82.383 flat angles P-C4'-P energy: -64.392 tors. eta vs tors. theta energy: -97.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1222.892178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.892178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.892178 (E_RNA) where: Base-Base interactions energy: -817.876 where: short stacking energy: -363.373 Base-Backbone interact. energy: 1.390 local terms energy: -406.405675 where: bonds (distance) C4'-P energy: -81.584 bonds (distance) P-C4' energy: -70.510 flat angles C4'-P-C4' energy: -91.990 flat angles P-C4'-P energy: -52.582 tors. eta vs tors. theta energy: -109.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1055.400651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.400651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.400651 (E_RNA) where: Base-Base interactions energy: -691.212 where: short stacking energy: -299.869 Base-Backbone interact. energy: -0.148 local terms energy: -364.041308 where: bonds (distance) C4'-P energy: -69.471 bonds (distance) P-C4' energy: -76.254 flat angles C4'-P-C4' energy: -79.904 flat angles P-C4'-P energy: -55.761 tors. eta vs tors. theta energy: -82.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -999.982113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.982113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.982113 (E_RNA) where: Base-Base interactions energy: -658.661 where: short stacking energy: -308.631 Base-Backbone interact. energy: -1.348 local terms energy: -339.973105 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -82.659 flat angles C4'-P-C4' energy: -72.688 flat angles P-C4'-P energy: -45.072 tors. eta vs tors. theta energy: -78.321 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: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -941.740699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.740699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.740699 (E_RNA) where: Base-Base interactions energy: -609.058 where: short stacking energy: -290.682 Base-Backbone interact. energy: -2.108 local terms energy: -330.574601 where: bonds (distance) C4'-P energy: -68.730 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -75.896 flat angles P-C4'-P energy: -47.424 tors. eta vs tors. theta energy: -77.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -843.910834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.910834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.910834 (E_RNA) where: Base-Base interactions energy: -533.830 where: short stacking energy: -246.618 Base-Backbone interact. energy: -0.124 local terms energy: -309.956836 where: bonds (distance) C4'-P energy: -63.312 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -71.680 flat angles P-C4'-P energy: -46.713 tors. eta vs tors. theta energy: -55.819 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: 10 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -517.830166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.830166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.830166 (E_RNA) where: Base-Base interactions energy: -267.368 where: short stacking energy: -143.990 Base-Backbone interact. energy: 4.599 local terms energy: -255.060966 where: bonds (distance) C4'-P energy: -63.689 bonds (distance) P-C4' energy: -78.692 flat angles C4'-P-C4' energy: -68.817 flat angles P-C4'-P energy: -40.077 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -345.671173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.671173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.671173 (E_RNA) where: Base-Base interactions energy: -109.889 where: short stacking energy: -100.032 Base-Backbone interact. energy: -1.770 local terms energy: -234.012661 where: bonds (distance) C4'-P energy: -71.692 bonds (distance) P-C4' energy: -56.715 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -48.702 tors. eta vs tors. theta energy: 2.565 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: 56 Temperature: 1.300000 Total energy: -336.320469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.320469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.320469 (E_RNA) where: Base-Base interactions energy: -133.533 where: short stacking energy: -94.558 Base-Backbone interact. energy: -4.161 local terms energy: -198.625981 where: bonds (distance) C4'-P energy: -56.666 bonds (distance) P-C4' energy: -66.083 flat angles C4'-P-C4' energy: -63.815 flat angles P-C4'-P energy: -34.271 tors. eta vs tors. theta energy: 22.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -310.444148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.444148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.444148 (E_RNA) where: Base-Base interactions energy: -82.599 where: short stacking energy: -69.053 Base-Backbone interact. energy: -0.191 local terms energy: -227.653762 where: bonds (distance) C4'-P energy: -75.989 bonds (distance) P-C4' energy: -63.904 flat angles C4'-P-C4' energy: -65.476 flat angles P-C4'-P energy: -40.074 tors. eta vs tors. theta energy: 17.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1294.579759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.579759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.579759 (E_RNA) where: Base-Base interactions energy: -888.646 where: short stacking energy: -368.916 Base-Backbone interact. energy: -1.288 local terms energy: -404.646068 where: bonds (distance) C4'-P energy: -70.396 bonds (distance) P-C4' energy: -79.835 flat angles C4'-P-C4' energy: -80.370 flat angles P-C4'-P energy: -66.001 tors. eta vs tors. theta energy: -108.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1242.777550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.777550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.777550 (E_RNA) where: Base-Base interactions energy: -839.571 where: short stacking energy: -348.856 Base-Backbone interact. energy: 2.468 local terms energy: -405.674282 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -82.412 flat angles C4'-P-C4' energy: -85.719 flat angles P-C4'-P energy: -62.703 tors. eta vs tors. theta energy: -97.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1054.187270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.187270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.187270 (E_RNA) where: Base-Base interactions energy: -690.959 where: short stacking energy: -303.529 Base-Backbone interact. energy: -1.721 local terms energy: -361.508063 where: bonds (distance) C4'-P energy: -80.327 bonds (distance) P-C4' energy: -71.697 flat angles C4'-P-C4' energy: -76.870 flat angles P-C4'-P energy: -44.607 tors. eta vs tors. theta energy: -88.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -994.895825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.895825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.895825 (E_RNA) where: Base-Base interactions energy: -645.822 where: short stacking energy: -279.375 Base-Backbone interact. energy: -0.289 local terms energy: -348.785124 where: bonds (distance) C4'-P energy: -70.966 bonds (distance) P-C4' energy: -68.650 flat angles C4'-P-C4' energy: -84.913 flat angles P-C4'-P energy: -49.313 tors. eta vs tors. theta energy: -74.943 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: 5 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -970.854121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.854121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.854121 (E_RNA) where: Base-Base interactions energy: -594.045 where: short stacking energy: -270.309 Base-Backbone interact. energy: -0.347 local terms energy: -376.462205 where: bonds (distance) C4'-P energy: -67.933 bonds (distance) P-C4' energy: -89.247 flat angles C4'-P-C4' energy: -84.427 flat angles P-C4'-P energy: -54.326 tors. eta vs tors. theta energy: -80.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -815.327776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.327776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.327776 (E_RNA) where: Base-Base interactions energy: -507.957 where: short stacking energy: -228.306 Base-Backbone interact. energy: 1.650 local terms energy: -309.020054 where: bonds (distance) C4'-P energy: -77.703 bonds (distance) P-C4' energy: -78.970 flat angles C4'-P-C4' energy: -67.406 flat angles P-C4'-P energy: -33.782 tors. eta vs tors. theta energy: -51.159 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: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -566.422008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.422008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.422008 (E_RNA) where: Base-Base interactions energy: -287.316 where: short stacking energy: -139.756 Base-Backbone interact. energy: -1.608 local terms energy: -277.497780 where: bonds (distance) C4'-P energy: -78.176 bonds (distance) P-C4' energy: -77.074 flat angles C4'-P-C4' energy: -57.207 flat angles P-C4'-P energy: -38.316 tors. eta vs tors. theta energy: -26.724 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: 1 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -353.663358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.663358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.663358 (E_RNA) where: Base-Base interactions energy: -129.130 where: short stacking energy: -93.333 Base-Backbone interact. energy: 1.343 local terms energy: -225.876170 where: bonds (distance) C4'-P energy: -53.214 bonds (distance) P-C4' energy: -72.174 flat angles C4'-P-C4' energy: -72.448 flat angles P-C4'-P energy: -27.683 tors. eta vs tors. theta energy: -0.358 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: 57 Temperature: 1.300000 Total energy: -341.526231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.526231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.526231 (E_RNA) where: Base-Base interactions energy: -117.887 where: short stacking energy: -88.868 Base-Backbone interact. energy: -2.542 local terms energy: -221.097194 where: bonds (distance) C4'-P energy: -63.503 bonds (distance) P-C4' energy: -71.620 flat angles C4'-P-C4' energy: -60.605 flat angles P-C4'-P energy: -27.972 tors. eta vs tors. theta energy: 2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -325.151686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.151686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.151686 (E_RNA) where: Base-Base interactions energy: -126.692 where: short stacking energy: -92.799 Base-Backbone interact. energy: -1.175 local terms energy: -197.284426 where: bonds (distance) C4'-P energy: -54.737 bonds (distance) P-C4' energy: -79.370 flat angles C4'-P-C4' energy: -40.369 flat angles P-C4'-P energy: -33.770 tors. eta vs tors. theta energy: 10.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1281.409793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.409793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.409793 (E_RNA) where: Base-Base interactions energy: -862.063 where: short stacking energy: -356.720 Base-Backbone interact. energy: -3.056 local terms energy: -416.291339 where: bonds (distance) C4'-P energy: -86.185 bonds (distance) P-C4' energy: -82.163 flat angles C4'-P-C4' energy: -87.239 flat angles P-C4'-P energy: -51.719 tors. eta vs tors. theta energy: -108.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1241.723670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.723670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.723670 (E_RNA) where: Base-Base interactions energy: -828.539 where: short stacking energy: -381.214 Base-Backbone interact. energy: 0.085 local terms energy: -413.269903 where: bonds (distance) C4'-P energy: -72.924 bonds (distance) P-C4' energy: -82.596 flat angles C4'-P-C4' energy: -87.404 flat angles P-C4'-P energy: -57.015 tors. eta vs tors. theta energy: -113.331 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: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1031.952864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.952864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.952864 (E_RNA) where: Base-Base interactions energy: -670.129 where: short stacking energy: -282.255 Base-Backbone interact. energy: -1.835 local terms energy: -359.988066 where: bonds (distance) C4'-P energy: -70.482 bonds (distance) P-C4' energy: -79.000 flat angles C4'-P-C4' energy: -75.222 flat angles P-C4'-P energy: -56.865 tors. eta vs tors. theta energy: -78.419 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: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1014.754033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.754033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.754033 (E_RNA) where: Base-Base interactions energy: -661.394 where: short stacking energy: -329.155 Base-Backbone interact. energy: 0.111 local terms energy: -353.471027 where: bonds (distance) C4'-P energy: -71.852 bonds (distance) P-C4' energy: -61.121 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -39.835 tors. eta vs tors. theta energy: -103.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -957.199586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.199586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.199586 (E_RNA) where: Base-Base interactions energy: -598.982 where: short stacking energy: -286.516 Base-Backbone interact. energy: -1.201 local terms energy: -357.015873 where: bonds (distance) C4'-P energy: -69.786 bonds (distance) P-C4' energy: -68.223 flat angles C4'-P-C4' energy: -83.983 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -78.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -822.424965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.424965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.424965 (E_RNA) where: Base-Base interactions energy: -498.403 where: short stacking energy: -225.700 Base-Backbone interact. energy: -1.683 local terms energy: -322.339055 where: bonds (distance) C4'-P energy: -69.679 bonds (distance) P-C4' energy: -71.758 flat angles C4'-P-C4' energy: -73.169 flat angles P-C4'-P energy: -45.717 tors. eta vs tors. theta energy: -62.016 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: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -601.264581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.264581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.264581 (E_RNA) where: Base-Base interactions energy: -330.762 where: short stacking energy: -179.650 Base-Backbone interact. energy: -4.407 local terms energy: -266.095005 where: bonds (distance) C4'-P energy: -68.201 bonds (distance) P-C4' energy: -73.270 flat angles C4'-P-C4' energy: -59.987 flat angles P-C4'-P energy: -34.924 tors. eta vs tors. theta energy: -29.713 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: 58 Temperature: 1.250000 Total energy: -379.953682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.953682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.953682 (E_RNA) where: Base-Base interactions energy: -121.142 where: short stacking energy: -104.919 Base-Backbone interact. energy: -2.642 local terms energy: -256.169943 where: bonds (distance) C4'-P energy: -75.297 bonds (distance) P-C4' energy: -78.625 flat angles C4'-P-C4' energy: -66.366 flat angles P-C4'-P energy: -45.316 tors. eta vs tors. theta energy: 9.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -336.818137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.818137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.818137 (E_RNA) where: Base-Base interactions energy: -121.236 where: short stacking energy: -102.770 Base-Backbone interact. energy: -2.415 local terms energy: -213.166811 where: bonds (distance) C4'-P energy: -68.363 bonds (distance) P-C4' energy: -64.909 flat angles C4'-P-C4' energy: -46.435 flat angles P-C4'-P energy: -36.442 tors. eta vs tors. theta energy: 2.982 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: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -288.062690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.062690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.062690 (E_RNA) where: Base-Base interactions energy: -103.918 where: short stacking energy: -80.187 Base-Backbone interact. energy: 0.357 local terms energy: -184.501012 where: bonds (distance) C4'-P energy: -54.405 bonds (distance) P-C4' energy: -59.020 flat angles C4'-P-C4' energy: -51.853 flat angles P-C4'-P energy: -36.796 tors. eta vs tors. theta energy: 17.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1254.101420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.101420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.101420 (E_RNA) where: Base-Base interactions energy: -848.857 where: short stacking energy: -359.326 Base-Backbone interact. energy: -1.489 local terms energy: -403.755607 where: bonds (distance) C4'-P energy: -84.315 bonds (distance) P-C4' energy: -76.287 flat angles C4'-P-C4' energy: -81.106 flat angles P-C4'-P energy: -55.382 tors. eta vs tors. theta energy: -106.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1250.875717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.875717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.875717 (E_RNA) where: Base-Base interactions energy: -845.249 where: short stacking energy: -367.104 Base-Backbone interact. energy: -0.226 local terms energy: -405.401110 where: bonds (distance) C4'-P energy: -74.640 bonds (distance) P-C4' energy: -63.338 flat angles C4'-P-C4' energy: -92.615 flat angles P-C4'-P energy: -60.518 tors. eta vs tors. theta energy: -114.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1029.419360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.419360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.419360 (E_RNA) where: Base-Base interactions energy: -660.536 where: short stacking energy: -281.316 Base-Backbone interact. energy: -1.668 local terms energy: -367.215709 where: bonds (distance) C4'-P energy: -69.405 bonds (distance) P-C4' energy: -80.707 flat angles C4'-P-C4' energy: -88.180 flat angles P-C4'-P energy: -59.195 tors. eta vs tors. theta energy: -69.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1008.802807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.802807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.802807 (E_RNA) where: Base-Base interactions energy: -630.144 where: short stacking energy: -305.575 Base-Backbone interact. energy: -1.711 local terms energy: -376.947483 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -70.177 flat angles C4'-P-C4' energy: -75.375 flat angles P-C4'-P energy: -55.227 tors. eta vs tors. theta energy: -94.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -954.599832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.599832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.599832 (E_RNA) where: Base-Base interactions energy: -616.588 where: short stacking energy: -243.906 Base-Backbone interact. energy: -2.414 local terms energy: -335.598290 where: bonds (distance) C4'-P energy: -73.176 bonds (distance) P-C4' energy: -77.877 flat angles C4'-P-C4' energy: -78.117 flat angles P-C4'-P energy: -41.943 tors. eta vs tors. theta energy: -64.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -862.494237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.494237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.494237 (E_RNA) where: Base-Base interactions energy: -543.664 where: short stacking energy: -239.073 Base-Backbone interact. energy: -0.483 local terms energy: -318.347594 where: bonds (distance) C4'-P energy: -66.662 bonds (distance) P-C4' energy: -84.347 flat angles C4'-P-C4' energy: -68.268 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -55.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -657.906062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.906062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.906062 (E_RNA) where: Base-Base interactions energy: -364.100 where: short stacking energy: -192.035 Base-Backbone interact. energy: -1.103 local terms energy: -292.703029 where: bonds (distance) C4'-P energy: -63.231 bonds (distance) P-C4' energy: -76.694 flat angles C4'-P-C4' energy: -79.164 flat angles P-C4'-P energy: -32.386 tors. eta vs tors. theta energy: -41.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -365.365355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.365355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.365355 (E_RNA) where: Base-Base interactions energy: -144.065 where: short stacking energy: -91.765 Base-Backbone interact. energy: -3.898 local terms energy: -217.402356 where: bonds (distance) C4'-P energy: -63.466 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -63.713 flat angles P-C4'-P energy: -32.985 tors. eta vs tors. theta energy: 9.396 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: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -328.307902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.307902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.307902 (E_RNA) where: Base-Base interactions energy: -94.900 where: short stacking energy: -68.755 Base-Backbone interact. energy: -2.544 local terms energy: -230.864010 where: bonds (distance) C4'-P energy: -65.244 bonds (distance) P-C4' energy: -66.141 flat angles C4'-P-C4' energy: -74.910 flat angles P-C4'-P energy: -35.914 tors. eta vs tors. theta energy: 11.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -305.216332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.216332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.216332 (E_RNA) where: Base-Base interactions energy: -114.600 where: short stacking energy: -92.593 Base-Backbone interact. energy: 0.893 local terms energy: -191.509198 where: bonds (distance) C4'-P energy: -72.311 bonds (distance) P-C4' energy: -64.264 flat angles C4'-P-C4' energy: -52.935 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: 7.654 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: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1285.581367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.581367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.581367 (E_RNA) where: Base-Base interactions energy: -873.530 where: short stacking energy: -346.047 Base-Backbone interact. energy: -3.058 local terms energy: -408.992855 where: bonds (distance) C4'-P energy: -84.269 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -84.551 flat angles P-C4'-P energy: -58.723 tors. eta vs tors. theta energy: -100.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1225.100103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.100103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.100103 (E_RNA) where: Base-Base interactions energy: -849.629 where: short stacking energy: -334.381 Base-Backbone interact. energy: 3.155 local terms energy: -378.625955 where: bonds (distance) C4'-P energy: -71.360 bonds (distance) P-C4' energy: -68.551 flat angles C4'-P-C4' energy: -89.908 flat angles P-C4'-P energy: -54.580 tors. eta vs tors. theta energy: -94.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1028.304112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.304112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.304112 (E_RNA) where: Base-Base interactions energy: -649.889 where: short stacking energy: -297.002 Base-Backbone interact. energy: -1.935 local terms energy: -376.479518 where: bonds (distance) C4'-P energy: -74.324 bonds (distance) P-C4' energy: -67.159 flat angles C4'-P-C4' energy: -89.288 flat angles P-C4'-P energy: -65.767 tors. eta vs tors. theta energy: -79.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -992.290714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.290714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.290714 (E_RNA) where: Base-Base interactions energy: -645.722 where: short stacking energy: -285.844 Base-Backbone interact. energy: -0.879 local terms energy: -345.690260 where: bonds (distance) C4'-P energy: -65.171 bonds (distance) P-C4' energy: -72.963 flat angles C4'-P-C4' energy: -72.373 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -83.070 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: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -956.134161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.134161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.134161 (E_RNA) where: Base-Base interactions energy: -625.097 where: short stacking energy: -266.243 Base-Backbone interact. energy: 1.295 local terms energy: -332.332433 where: bonds (distance) C4'-P energy: -70.453 bonds (distance) P-C4' energy: -72.957 flat angles C4'-P-C4' energy: -77.735 flat angles P-C4'-P energy: -39.003 tors. eta vs tors. theta energy: -72.185 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: 60 Temperature: 1.150000 Total energy: -801.089107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.089107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.089107 (E_RNA) where: Base-Base interactions energy: -507.736 where: short stacking energy: -243.937 Base-Backbone interact. energy: 1.294 local terms energy: -294.647893 where: bonds (distance) C4'-P energy: -69.993 bonds (distance) P-C4' energy: -61.749 flat angles C4'-P-C4' energy: -53.028 flat angles P-C4'-P energy: -50.699 tors. eta vs tors. theta energy: -59.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -616.795811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.795811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.795811 (E_RNA) where: Base-Base interactions energy: -331.113 where: short stacking energy: -170.137 Base-Backbone interact. energy: -3.292 local terms energy: -282.390942 where: bonds (distance) C4'-P energy: -56.775 bonds (distance) P-C4' energy: -74.802 flat angles C4'-P-C4' energy: -77.602 flat angles P-C4'-P energy: -41.019 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: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -376.569362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.569362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.569362 (E_RNA) where: Base-Base interactions energy: -137.373 where: short stacking energy: -110.758 Base-Backbone interact. energy: 1.342 local terms energy: -240.537704 where: bonds (distance) C4'-P energy: -75.854 bonds (distance) P-C4' energy: -69.949 flat angles C4'-P-C4' energy: -69.706 flat angles P-C4'-P energy: -33.641 tors. eta vs tors. theta energy: 8.612 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: 60 Temperature: 1.300000 Total energy: -376.833128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.833128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.833128 (E_RNA) where: Base-Base interactions energy: -158.067 where: short stacking energy: -100.155 Base-Backbone interact. energy: -1.421 local terms energy: -217.344594 where: bonds (distance) C4'-P energy: -64.124 bonds (distance) P-C4' energy: -76.692 flat angles C4'-P-C4' energy: -54.270 flat angles P-C4'-P energy: -27.551 tors. eta vs tors. theta energy: 5.292 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: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -300.551419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.551419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.551419 (E_RNA) where: Base-Base interactions energy: -95.507 where: short stacking energy: -70.771 Base-Backbone interact. energy: 2.532 local terms energy: -207.576115 where: bonds (distance) C4'-P energy: -64.771 bonds (distance) P-C4' energy: -81.689 flat angles C4'-P-C4' energy: -55.753 flat angles P-C4'-P energy: -29.420 tors. eta vs tors. theta energy: 24.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1300.654810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.654810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.654810 (E_RNA) where: Base-Base interactions energy: -881.449 where: short stacking energy: -371.217 Base-Backbone interact. energy: -3.543 local terms energy: -415.662938 where: bonds (distance) C4'-P energy: -80.788 bonds (distance) P-C4' energy: -81.767 flat angles C4'-P-C4' energy: -88.605 flat angles P-C4'-P energy: -52.755 tors. eta vs tors. theta energy: -111.748 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: 61 Temperature: 0.950000 Total energy: -1214.644676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.644676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.644676 (E_RNA) where: Base-Base interactions energy: -814.300 where: short stacking energy: -325.549 Base-Backbone interact. energy: 3.087 local terms energy: -403.431648 where: bonds (distance) C4'-P energy: -80.518 bonds (distance) P-C4' energy: -89.366 flat angles C4'-P-C4' energy: -83.881 flat angles P-C4'-P energy: -51.996 tors. eta vs tors. theta energy: -97.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1050.328077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.328077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.328077 (E_RNA) where: Base-Base interactions energy: -672.509 where: short stacking energy: -323.692 Base-Backbone interact. energy: -2.446 local terms energy: -375.372927 where: bonds (distance) C4'-P energy: -73.009 bonds (distance) P-C4' energy: -78.305 flat angles C4'-P-C4' energy: -73.667 flat angles P-C4'-P energy: -54.535 tors. eta vs tors. theta energy: -95.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1025.736759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.736759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.736759 (E_RNA) where: Base-Base interactions energy: -664.839 where: short stacking energy: -273.573 Base-Backbone interact. energy: -1.487 local terms energy: -359.410141 where: bonds (distance) C4'-P energy: -69.623 bonds (distance) P-C4' energy: -77.796 flat angles C4'-P-C4' energy: -76.217 flat angles P-C4'-P energy: -59.627 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: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -942.522823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.522823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.522823 (E_RNA) where: Base-Base interactions energy: -589.947 where: short stacking energy: -260.724 Base-Backbone interact. energy: -1.918 local terms energy: -350.658200 where: bonds (distance) C4'-P energy: -72.420 bonds (distance) P-C4' energy: -76.336 flat angles C4'-P-C4' energy: -82.925 flat angles P-C4'-P energy: -51.562 tors. eta vs tors. theta energy: -67.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -757.540344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.540344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.540344 (E_RNA) where: Base-Base interactions energy: -451.109 where: short stacking energy: -213.244 Base-Backbone interact. energy: -1.193 local terms energy: -305.237896 where: bonds (distance) C4'-P energy: -68.752 bonds (distance) P-C4' energy: -68.919 flat angles C4'-P-C4' energy: -79.345 flat angles P-C4'-P energy: -33.107 tors. eta vs tors. theta energy: -55.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -541.457764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.457764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.457764 (E_RNA) where: Base-Base interactions energy: -292.596 where: short stacking energy: -134.217 Base-Backbone interact. energy: -0.756 local terms energy: -248.105898 where: bonds (distance) C4'-P energy: -59.978 bonds (distance) P-C4' energy: -61.695 flat angles C4'-P-C4' energy: -71.601 flat angles P-C4'-P energy: -49.306 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -434.945757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.945757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.945757 (E_RNA) where: Base-Base interactions energy: -182.764 where: short stacking energy: -123.694 Base-Backbone interact. energy: 1.051 local terms energy: -253.231901 where: bonds (distance) C4'-P energy: -59.508 bonds (distance) P-C4' energy: -80.728 flat angles C4'-P-C4' energy: -56.971 flat angles P-C4'-P energy: -41.900 tors. eta vs tors. theta energy: -14.125 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: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -337.130934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.130934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.130934 (E_RNA) where: Base-Base interactions energy: -116.111 where: short stacking energy: -104.052 Base-Backbone interact. energy: -1.810 local terms energy: -219.210172 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -51.757 flat angles P-C4'-P energy: -33.712 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -329.114346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.114346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.114346 (E_RNA) where: Base-Base interactions energy: -102.403 where: short stacking energy: -95.894 Base-Backbone interact. energy: 0.530 local terms energy: -227.240909 where: bonds (distance) C4'-P energy: -76.639 bonds (distance) P-C4' energy: -61.100 flat angles C4'-P-C4' energy: -54.499 flat angles P-C4'-P energy: -42.402 tors. eta vs tors. theta energy: 7.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1300.029956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.029956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.029956 (E_RNA) where: Base-Base interactions energy: -884.732 where: short stacking energy: -382.467 Base-Backbone interact. energy: -1.820 local terms energy: -413.477925 where: bonds (distance) C4'-P energy: -72.493 bonds (distance) P-C4' energy: -88.059 flat angles C4'-P-C4' energy: -84.022 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -111.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1211.951882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.951882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.951882 (E_RNA) where: Base-Base interactions energy: -812.411 where: short stacking energy: -319.171 Base-Backbone interact. energy: -3.041 local terms energy: -396.499813 where: bonds (distance) C4'-P energy: -80.503 bonds (distance) P-C4' energy: -82.580 flat angles C4'-P-C4' energy: -85.511 flat angles P-C4'-P energy: -49.106 tors. eta vs tors. theta energy: -98.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1070.867522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.867522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.867522 (E_RNA) where: Base-Base interactions energy: -682.742 where: short stacking energy: -329.313 Base-Backbone interact. energy: 0.320 local terms energy: -388.445298 where: bonds (distance) C4'-P energy: -80.645 bonds (distance) P-C4' energy: -77.723 flat angles C4'-P-C4' energy: -84.405 flat angles P-C4'-P energy: -51.987 tors. eta vs tors. theta energy: -93.686 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: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -988.213903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.213903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.213903 (E_RNA) where: Base-Base interactions energy: -633.848 where: short stacking energy: -290.899 Base-Backbone interact. energy: -1.449 local terms energy: -352.916990 where: bonds (distance) C4'-P energy: -59.011 bonds (distance) P-C4' energy: -83.215 flat angles C4'-P-C4' energy: -83.729 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -76.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -874.081113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.081113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.081113 (E_RNA) where: Base-Base interactions energy: -557.874 where: short stacking energy: -241.341 Base-Backbone interact. energy: -2.775 local terms energy: -313.431809 where: bonds (distance) C4'-P energy: -65.555 bonds (distance) P-C4' energy: -82.532 flat angles C4'-P-C4' energy: -72.003 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: -52.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -765.363813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.363813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.363813 (E_RNA) where: Base-Base interactions energy: -454.545 where: short stacking energy: -195.699 Base-Backbone interact. energy: 3.977 local terms energy: -314.796040 where: bonds (distance) C4'-P energy: -64.138 bonds (distance) P-C4' energy: -68.778 flat angles C4'-P-C4' energy: -74.478 flat angles P-C4'-P energy: -56.801 tors. eta vs tors. theta energy: -50.602 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: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -554.765233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.765233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.765233 (E_RNA) where: Base-Base interactions energy: -299.485 where: short stacking energy: -167.592 Base-Backbone interact. energy: -2.147 local terms energy: -253.132605 where: bonds (distance) C4'-P energy: -70.857 bonds (distance) P-C4' energy: -72.191 flat angles C4'-P-C4' energy: -66.725 flat angles P-C4'-P energy: -20.991 tors. eta vs tors. theta energy: -22.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -438.889289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.889289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.889289 (E_RNA) where: Base-Base interactions energy: -211.346 where: short stacking energy: -119.663 Base-Backbone interact. energy: 1.578 local terms energy: -229.121880 where: bonds (distance) C4'-P energy: -69.656 bonds (distance) P-C4' energy: -51.649 flat angles C4'-P-C4' energy: -54.080 flat angles P-C4'-P energy: -42.902 tors. eta vs tors. theta energy: -10.835 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: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -331.912002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.912002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.912002 (E_RNA) where: Base-Base interactions energy: -116.384 where: short stacking energy: -103.580 Base-Backbone interact. energy: -1.181 local terms energy: -214.346334 where: bonds (distance) C4'-P energy: -59.771 bonds (distance) P-C4' energy: -70.194 flat angles C4'-P-C4' energy: -58.324 flat angles P-C4'-P energy: -29.180 tors. eta vs tors. theta energy: 3.123 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: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -331.630060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.630060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.630060 (E_RNA) where: Base-Base interactions energy: -127.618 where: short stacking energy: -92.046 Base-Backbone interact. energy: -0.527 local terms energy: -203.485273 where: bonds (distance) C4'-P energy: -55.957 bonds (distance) P-C4' energy: -65.678 flat angles C4'-P-C4' energy: -66.876 flat angles P-C4'-P energy: -25.761 tors. eta vs tors. theta energy: 10.786 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: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1290.068142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.068142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.068142 (E_RNA) where: Base-Base interactions energy: -888.479 where: short stacking energy: -369.567 Base-Backbone interact. energy: 3.816 local terms energy: -405.404689 where: bonds (distance) C4'-P energy: -64.834 bonds (distance) P-C4' energy: -85.507 flat angles C4'-P-C4' energy: -94.713 flat angles P-C4'-P energy: -52.855 tors. eta vs tors. theta energy: -107.496 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: 63 Temperature: 0.950000 Total energy: -1216.527632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.527632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.527632 (E_RNA) where: Base-Base interactions energy: -842.692 where: short stacking energy: -352.355 Base-Backbone interact. energy: -2.395 local terms energy: -371.440806 where: bonds (distance) C4'-P energy: -75.819 bonds (distance) P-C4' energy: -70.740 flat angles C4'-P-C4' energy: -74.661 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: -104.931 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: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1114.404598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.404598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.404598 (E_RNA) where: Base-Base interactions energy: -718.498 where: short stacking energy: -345.128 Base-Backbone interact. energy: 1.500 local terms energy: -397.405988 where: bonds (distance) C4'-P energy: -74.671 bonds (distance) P-C4' energy: -82.810 flat angles C4'-P-C4' energy: -80.050 flat angles P-C4'-P energy: -52.109 tors. eta vs tors. theta energy: -107.766 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: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1001.647093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.647093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.647093 (E_RNA) where: Base-Base interactions energy: -656.461 where: short stacking energy: -282.561 Base-Backbone interact. energy: 1.008 local terms energy: -346.194424 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -85.971 flat angles C4'-P-C4' energy: -78.183 flat angles P-C4'-P energy: -44.999 tors. eta vs tors. theta energy: -70.095 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: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -901.195248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.195248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.195248 (E_RNA) where: Base-Base interactions energy: -569.944 where: short stacking energy: -262.735 Base-Backbone interact. energy: -1.444 local terms energy: -329.807093 where: bonds (distance) C4'-P energy: -72.425 bonds (distance) P-C4' energy: -72.465 flat angles C4'-P-C4' energy: -82.810 flat angles P-C4'-P energy: -42.420 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: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -756.692286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.692286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.692286 (E_RNA) where: Base-Base interactions energy: -442.560 where: short stacking energy: -204.989 Base-Backbone interact. energy: -2.229 local terms energy: -311.903276 where: bonds (distance) C4'-P energy: -72.299 bonds (distance) P-C4' energy: -72.851 flat angles C4'-P-C4' energy: -73.726 flat angles P-C4'-P energy: -43.773 tors. eta vs tors. theta energy: -49.254 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: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -530.640595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.640595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.640595 (E_RNA) where: Base-Base interactions energy: -269.237 where: short stacking energy: -167.039 Base-Backbone interact. energy: -2.671 local terms energy: -258.732539 where: bonds (distance) C4'-P energy: -63.812 bonds (distance) P-C4' energy: -68.414 flat angles C4'-P-C4' energy: -68.272 flat angles P-C4'-P energy: -40.110 tors. eta vs tors. theta energy: -18.125 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: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -491.739684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.739684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.739684 (E_RNA) where: Base-Base interactions energy: -239.350 where: short stacking energy: -147.200 Base-Backbone interact. energy: -1.197 local terms energy: -251.192215 where: bonds (distance) C4'-P energy: -71.283 bonds (distance) P-C4' energy: -60.159 flat angles C4'-P-C4' energy: -63.637 flat angles P-C4'-P energy: -44.992 tors. eta vs tors. theta energy: -11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -358.948482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.948482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.948482 (E_RNA) where: Base-Base interactions energy: -144.335 where: short stacking energy: -103.958 Base-Backbone interact. energy: 3.069 local terms energy: -217.681658 where: bonds (distance) C4'-P energy: -54.479 bonds (distance) P-C4' energy: -76.623 flat angles C4'-P-C4' energy: -59.420 flat angles P-C4'-P energy: -38.752 tors. eta vs tors. theta energy: 11.592 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: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -322.818714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.818714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.818714 (E_RNA) where: Base-Base interactions energy: -123.015 where: short stacking energy: -72.617 Base-Backbone interact. energy: 0.210 local terms energy: -200.013840 where: bonds (distance) C4'-P energy: -60.316 bonds (distance) P-C4' energy: -59.564 flat angles C4'-P-C4' energy: -59.112 flat angles P-C4'-P energy: -36.557 tors. eta vs tors. theta energy: 15.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1296.215945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.215945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.215945 (E_RNA) where: Base-Base interactions energy: -883.409 where: short stacking energy: -355.071 Base-Backbone interact. energy: 0.406 local terms energy: -413.212226 where: bonds (distance) C4'-P energy: -82.550 bonds (distance) P-C4' energy: -81.205 flat angles C4'-P-C4' energy: -82.232 flat angles P-C4'-P energy: -54.787 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: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1210.004463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.004463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.004463 (E_RNA) where: Base-Base interactions energy: -804.219 where: short stacking energy: -324.375 Base-Backbone interact. energy: -2.724 local terms energy: -403.060920 where: bonds (distance) C4'-P energy: -84.291 bonds (distance) P-C4' energy: -82.340 flat angles C4'-P-C4' energy: -82.945 flat angles P-C4'-P energy: -52.689 tors. eta vs tors. theta energy: -100.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1084.155662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.155662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.155662 (E_RNA) where: Base-Base interactions energy: -695.357 where: short stacking energy: -307.310 Base-Backbone interact. energy: -2.260 local terms energy: -386.539492 where: bonds (distance) C4'-P energy: -68.974 bonds (distance) P-C4' energy: -72.441 flat angles C4'-P-C4' energy: -80.729 flat angles P-C4'-P energy: -64.403 tors. eta vs tors. theta energy: -99.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -990.470944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.470944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.470944 (E_RNA) where: Base-Base interactions energy: -650.502 where: short stacking energy: -287.602 Base-Backbone interact. energy: -0.431 local terms energy: -339.538174 where: bonds (distance) C4'-P energy: -71.464 bonds (distance) P-C4' energy: -76.697 flat angles C4'-P-C4' energy: -72.080 flat angles P-C4'-P energy: -47.062 tors. eta vs tors. theta energy: -72.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -933.351776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.351776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.351776 (E_RNA) where: Base-Base interactions energy: -580.666 where: short stacking energy: -249.359 Base-Backbone interact. energy: -1.390 local terms energy: -351.296192 where: bonds (distance) C4'-P energy: -76.736 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -74.921 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -67.419 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: 8 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -715.867962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.867962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.867962 (E_RNA) where: Base-Base interactions energy: -432.836 where: short stacking energy: -194.280 Base-Backbone interact. energy: 1.026 local terms energy: -284.057904 where: bonds (distance) C4'-P energy: -55.696 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -66.010 flat angles P-C4'-P energy: -54.153 tors. eta vs tors. theta energy: -34.665 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: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -588.647981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.647981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.647981 (E_RNA) where: Base-Base interactions energy: -327.997 where: short stacking energy: -173.023 Base-Backbone interact. energy: 0.996 local terms energy: -261.646886 where: bonds (distance) C4'-P energy: -69.207 bonds (distance) P-C4' energy: -66.471 flat angles C4'-P-C4' energy: -63.009 flat angles P-C4'-P energy: -42.359 tors. eta vs tors. theta energy: -20.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -447.506469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.506469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.506469 (E_RNA) where: Base-Base interactions energy: -200.659 where: short stacking energy: -134.690 Base-Backbone interact. energy: -1.171 local terms energy: -245.676872 where: bonds (distance) C4'-P energy: -82.294 bonds (distance) P-C4' energy: -65.559 flat angles C4'-P-C4' energy: -65.190 flat angles P-C4'-P energy: -23.266 tors. eta vs tors. theta energy: -9.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -331.984001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.984001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.984001 (E_RNA) where: Base-Base interactions energy: -130.483 where: short stacking energy: -93.614 Base-Backbone interact. energy: 1.353 local terms energy: -202.853640 where: bonds (distance) C4'-P energy: -52.456 bonds (distance) P-C4' energy: -64.230 flat angles C4'-P-C4' energy: -64.942 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: 16.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -336.329707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.329707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.329707 (E_RNA) where: Base-Base interactions energy: -152.178 where: short stacking energy: -93.312 Base-Backbone interact. energy: -1.902 local terms energy: -182.249832 where: bonds (distance) C4'-P energy: -63.548 bonds (distance) P-C4' energy: -61.621 flat angles C4'-P-C4' energy: -44.836 flat angles P-C4'-P energy: -36.247 tors. eta vs tors. theta energy: 24.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1285.746289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.746289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.746289 (E_RNA) where: Base-Base interactions energy: -863.706 where: short stacking energy: -365.787 Base-Backbone interact. energy: 1.335 local terms energy: -423.374724 where: bonds (distance) C4'-P energy: -80.332 bonds (distance) P-C4' energy: -77.524 flat angles C4'-P-C4' energy: -82.978 flat angles P-C4'-P energy: -66.063 tors. eta vs tors. theta energy: -116.478 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: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1239.687166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.687166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.687166 (E_RNA) where: Base-Base interactions energy: -849.907 where: short stacking energy: -341.276 Base-Backbone interact. energy: -1.318 local terms energy: -388.461893 where: bonds (distance) C4'-P energy: -72.878 bonds (distance) P-C4' energy: -75.171 flat angles C4'-P-C4' energy: -86.878 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: -108.161 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: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1111.943112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.943112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.943112 (E_RNA) where: Base-Base interactions energy: -693.443 where: short stacking energy: -328.795 Base-Backbone interact. energy: -0.173 local terms energy: -418.326707 where: bonds (distance) C4'-P energy: -84.922 bonds (distance) P-C4' energy: -89.936 flat angles C4'-P-C4' energy: -83.966 flat angles P-C4'-P energy: -54.183 tors. eta vs tors. theta energy: -105.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -951.837271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.837271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.837271 (E_RNA) where: Base-Base interactions energy: -593.721 where: short stacking energy: -282.376 Base-Backbone interact. energy: -2.634 local terms energy: -355.482419 where: bonds (distance) C4'-P energy: -79.832 bonds (distance) P-C4' energy: -79.565 flat angles C4'-P-C4' energy: -72.379 flat angles P-C4'-P energy: -49.182 tors. eta vs tors. theta energy: -74.523 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: 65 Temperature: 1.100000 Total energy: -964.087456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.087456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.087456 (E_RNA) where: Base-Base interactions energy: -628.545 where: short stacking energy: -276.488 Base-Backbone interact. energy: -0.771 local terms energy: -334.770999 where: bonds (distance) C4'-P energy: -64.558 bonds (distance) P-C4' energy: -76.325 flat angles C4'-P-C4' energy: -72.444 flat angles P-C4'-P energy: -49.883 tors. eta vs tors. theta energy: -71.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -741.672214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.672214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.672214 (E_RNA) where: Base-Base interactions energy: -415.884 where: short stacking energy: -201.392 Base-Backbone interact. energy: -2.065 local terms energy: -323.723090 where: bonds (distance) C4'-P energy: -76.020 bonds (distance) P-C4' energy: -77.825 flat angles C4'-P-C4' energy: -76.098 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: -51.969 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: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -512.799554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.799554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.799554 (E_RNA) where: Base-Base interactions energy: -248.354 where: short stacking energy: -150.059 Base-Backbone interact. energy: 1.794 local terms energy: -266.240186 where: bonds (distance) C4'-P energy: -71.718 bonds (distance) P-C4' energy: -80.281 flat angles C4'-P-C4' energy: -49.437 flat angles P-C4'-P energy: -44.327 tors. eta vs tors. theta energy: -20.478 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: 65 Temperature: 1.250000 Total energy: -431.937788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.937788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.937788 (E_RNA) where: Base-Base interactions energy: -209.275 where: short stacking energy: -116.778 Base-Backbone interact. energy: -1.090 local terms energy: -221.572640 where: bonds (distance) C4'-P energy: -66.933 bonds (distance) P-C4' energy: -68.202 flat angles C4'-P-C4' energy: -56.065 flat angles P-C4'-P energy: -35.006 tors. eta vs tors. theta energy: 4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -360.899134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.899134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.899134 (E_RNA) where: Base-Base interactions energy: -125.526 where: short stacking energy: -106.064 Base-Backbone interact. energy: 1.649 local terms energy: -237.021759 where: bonds (distance) C4'-P energy: -76.970 bonds (distance) P-C4' energy: -62.663 flat angles C4'-P-C4' energy: -68.275 flat angles P-C4'-P energy: -31.054 tors. eta vs tors. theta energy: 1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -331.521277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.521277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.521277 (E_RNA) where: Base-Base interactions energy: -95.881 where: short stacking energy: -64.622 Base-Backbone interact. energy: 0.840 local terms energy: -236.479988 where: bonds (distance) C4'-P energy: -65.598 bonds (distance) P-C4' energy: -74.785 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -38.753 tors. eta vs tors. theta energy: 4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1263.497384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.497384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.497384 (E_RNA) where: Base-Base interactions energy: -864.686 where: short stacking energy: -352.258 Base-Backbone interact. energy: -2.454 local terms energy: -396.356822 where: bonds (distance) C4'-P energy: -81.855 bonds (distance) P-C4' energy: -77.528 flat angles C4'-P-C4' energy: -78.963 flat angles P-C4'-P energy: -52.605 tors. eta vs tors. theta energy: -105.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1234.484400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.484400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.484400 (E_RNA) where: Base-Base interactions energy: -837.290 where: short stacking energy: -334.785 Base-Backbone interact. energy: -4.106 local terms energy: -393.087975 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -68.817 flat angles C4'-P-C4' energy: -80.682 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -101.919 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: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1069.149110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.149110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.149110 (E_RNA) where: Base-Base interactions energy: -696.294 where: short stacking energy: -296.610 Base-Backbone interact. energy: -3.155 local terms energy: -369.700602 where: bonds (distance) C4'-P energy: -81.490 bonds (distance) P-C4' energy: -83.164 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -47.258 tors. eta vs tors. theta energy: -82.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -987.145945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.145945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.145945 (E_RNA) where: Base-Base interactions energy: -631.556 where: short stacking energy: -280.146 Base-Backbone interact. energy: 0.442 local terms energy: -356.031565 where: bonds (distance) C4'-P energy: -66.783 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -80.804 flat angles P-C4'-P energy: -55.312 tors. eta vs tors. theta energy: -81.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -925.890065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.890065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.890065 (E_RNA) where: Base-Base interactions energy: -578.580 where: short stacking energy: -282.580 Base-Backbone interact. energy: -1.581 local terms energy: -345.728909 where: bonds (distance) C4'-P energy: -71.726 bonds (distance) P-C4' energy: -68.494 flat angles C4'-P-C4' energy: -70.593 flat angles P-C4'-P energy: -55.413 tors. eta vs tors. theta energy: -79.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -734.192124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.192124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.192124 (E_RNA) where: Base-Base interactions energy: -453.181 where: short stacking energy: -216.615 Base-Backbone interact. energy: -1.545 local terms energy: -279.466386 where: bonds (distance) C4'-P energy: -52.788 bonds (distance) P-C4' energy: -79.640 flat angles C4'-P-C4' energy: -68.985 flat angles P-C4'-P energy: -42.980 tors. eta vs tors. theta energy: -35.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -526.159140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.159140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.159140 (E_RNA) where: Base-Base interactions energy: -281.939 where: short stacking energy: -165.100 Base-Backbone interact. energy: -1.921 local terms energy: -242.299035 where: bonds (distance) C4'-P energy: -60.645 bonds (distance) P-C4' energy: -83.898 flat angles C4'-P-C4' energy: -55.293 flat angles P-C4'-P energy: -26.800 tors. eta vs tors. theta energy: -15.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -446.831506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.831506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.831506 (E_RNA) where: Base-Base interactions energy: -210.967 where: short stacking energy: -118.760 Base-Backbone interact. energy: 0.450 local terms energy: -236.314938 where: bonds (distance) C4'-P energy: -74.383 bonds (distance) P-C4' energy: -61.043 flat angles C4'-P-C4' energy: -72.710 flat angles P-C4'-P energy: -42.880 tors. eta vs tors. theta energy: 14.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -326.245145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.245145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.245145 (E_RNA) where: Base-Base interactions energy: -128.193 where: short stacking energy: -86.686 Base-Backbone interact. energy: 3.324 local terms energy: -201.376364 where: bonds (distance) C4'-P energy: -61.985 bonds (distance) P-C4' energy: -78.534 flat angles C4'-P-C4' energy: -55.170 flat angles P-C4'-P energy: -28.193 tors. eta vs tors. theta energy: 22.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -329.308938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.308938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.308938 (E_RNA) where: Base-Base interactions energy: -105.510 where: short stacking energy: -81.725 Base-Backbone interact. energy: -0.206 local terms energy: -223.592149 where: bonds (distance) C4'-P energy: -54.128 bonds (distance) P-C4' energy: -68.220 flat angles C4'-P-C4' energy: -72.272 flat angles P-C4'-P energy: -39.908 tors. eta vs tors. theta energy: 10.936 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: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1270.141666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.141666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.141666 (E_RNA) where: Base-Base interactions energy: -881.873 where: short stacking energy: -374.522 Base-Backbone interact. energy: 1.716 local terms energy: -389.984458 where: bonds (distance) C4'-P energy: -81.704 bonds (distance) P-C4' energy: -71.730 flat angles C4'-P-C4' energy: -86.061 flat angles P-C4'-P energy: -53.576 tors. eta vs tors. theta energy: -96.914 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: 2, replica: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1207.682363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.682363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.682363 (E_RNA) where: Base-Base interactions energy: -816.968 where: short stacking energy: -345.005 Base-Backbone interact. energy: -3.420 local terms energy: -387.295140 where: bonds (distance) C4'-P energy: -71.209 bonds (distance) P-C4' energy: -73.423 flat angles C4'-P-C4' energy: -76.762 flat angles P-C4'-P energy: -61.730 tors. eta vs tors. theta energy: -104.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1070.109713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.109713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.109713 (E_RNA) where: Base-Base interactions energy: -701.369 where: short stacking energy: -316.090 Base-Backbone interact. energy: -1.931 local terms energy: -366.809473 where: bonds (distance) C4'-P energy: -75.739 bonds (distance) P-C4' energy: -71.060 flat angles C4'-P-C4' energy: -71.527 flat angles P-C4'-P energy: -49.810 tors. eta vs tors. theta energy: -98.673 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: 2 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -976.551711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.551711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.551711 (E_RNA) where: Base-Base interactions energy: -629.686 where: short stacking energy: -267.317 Base-Backbone interact. energy: 0.032 local terms energy: -346.897843 where: bonds (distance) C4'-P energy: -61.539 bonds (distance) P-C4' energy: -81.429 flat angles C4'-P-C4' energy: -79.163 flat angles P-C4'-P energy: -48.746 tors. eta vs tors. theta energy: -76.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -924.785512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.785512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.785512 (E_RNA) where: Base-Base interactions energy: -585.319 where: short stacking energy: -269.436 Base-Backbone interact. energy: 0.435 local terms energy: -339.901333 where: bonds (distance) C4'-P energy: -82.487 bonds (distance) P-C4' energy: -70.954 flat angles C4'-P-C4' energy: -74.104 flat angles P-C4'-P energy: -34.339 tors. eta vs tors. theta energy: -78.017 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: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -757.195511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.195511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.195511 (E_RNA) where: Base-Base interactions energy: -447.454 where: short stacking energy: -233.242 Base-Backbone interact. energy: -0.881 local terms energy: -308.861298 where: bonds (distance) C4'-P energy: -73.167 bonds (distance) P-C4' energy: -65.482 flat angles C4'-P-C4' energy: -79.288 flat angles P-C4'-P energy: -41.436 tors. eta vs tors. theta energy: -49.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -499.837534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.837534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.837534 (E_RNA) where: Base-Base interactions energy: -230.064 where: short stacking energy: -111.647 Base-Backbone interact. energy: 1.151 local terms energy: -270.923735 where: bonds (distance) C4'-P energy: -68.576 bonds (distance) P-C4' energy: -70.329 flat angles C4'-P-C4' energy: -76.947 flat angles P-C4'-P energy: -42.868 tors. eta vs tors. theta energy: -12.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -436.051151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.051151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.051151 (E_RNA) where: Base-Base interactions energy: -199.742 where: short stacking energy: -122.426 Base-Backbone interact. energy: 0.769 local terms energy: -237.077525 where: bonds (distance) C4'-P energy: -62.835 bonds (distance) P-C4' energy: -72.480 flat angles C4'-P-C4' energy: -64.091 flat angles P-C4'-P energy: -34.299 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -358.795875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.795875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.795875 (E_RNA) where: Base-Base interactions energy: -145.631 where: short stacking energy: -116.889 Base-Backbone interact. energy: -1.864 local terms energy: -211.301304 where: bonds (distance) C4'-P energy: -69.374 bonds (distance) P-C4' energy: -57.993 flat angles C4'-P-C4' energy: -58.169 flat angles P-C4'-P energy: -23.890 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -313.945455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.945455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.945455 (E_RNA) where: Base-Base interactions energy: -103.669 where: short stacking energy: -76.468 Base-Backbone interact. energy: 2.458 local terms energy: -212.734761 where: bonds (distance) C4'-P energy: -67.614 bonds (distance) P-C4' energy: -59.411 flat angles C4'-P-C4' energy: -54.126 flat angles P-C4'-P energy: -42.297 tors. eta vs tors. theta energy: 10.714 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: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1272.342645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.342645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.342645 (E_RNA) where: Base-Base interactions energy: -860.535 where: short stacking energy: -377.297 Base-Backbone interact. energy: -1.715 local terms energy: -410.092731 where: bonds (distance) C4'-P energy: -79.737 bonds (distance) P-C4' energy: -80.362 flat angles C4'-P-C4' energy: -78.953 flat angles P-C4'-P energy: -61.791 tors. eta vs tors. theta energy: -109.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1169.868462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.868462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.868462 (E_RNA) where: Base-Base interactions energy: -776.503 where: short stacking energy: -338.572 Base-Backbone interact. energy: -2.421 local terms energy: -390.944888 where: bonds (distance) C4'-P energy: -72.625 bonds (distance) P-C4' energy: -76.508 flat angles C4'-P-C4' energy: -80.700 flat angles P-C4'-P energy: -61.258 tors. eta vs tors. theta energy: -99.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1052.588250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.588250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.588250 (E_RNA) where: Base-Base interactions energy: -709.709 where: short stacking energy: -301.496 Base-Backbone interact. energy: -2.267 local terms energy: -340.611855 where: bonds (distance) C4'-P energy: -71.416 bonds (distance) P-C4' energy: -63.266 flat angles C4'-P-C4' energy: -83.124 flat angles P-C4'-P energy: -47.128 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: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -975.995027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.995027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.995027 (E_RNA) where: Base-Base interactions energy: -611.048 where: short stacking energy: -306.739 Base-Backbone interact. energy: -3.757 local terms energy: -361.189656 where: bonds (distance) C4'-P energy: -76.028 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -77.849 flat angles P-C4'-P energy: -47.573 tors. eta vs tors. theta energy: -86.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -928.737834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.737834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.737834 (E_RNA) where: Base-Base interactions energy: -585.768 where: short stacking energy: -253.446 Base-Backbone interact. energy: -3.170 local terms energy: -339.799984 where: bonds (distance) C4'-P energy: -66.209 bonds (distance) P-C4' energy: -88.413 flat angles C4'-P-C4' energy: -83.376 flat angles P-C4'-P energy: -43.905 tors. eta vs tors. theta energy: -57.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -793.681258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.681258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.681258 (E_RNA) where: Base-Base interactions energy: -473.512 where: short stacking energy: -234.282 Base-Backbone interact. energy: -0.353 local terms energy: -319.816487 where: bonds (distance) C4'-P energy: -73.323 bonds (distance) P-C4' energy: -75.067 flat angles C4'-P-C4' energy: -61.639 flat angles P-C4'-P energy: -53.341 tors. eta vs tors. theta energy: -56.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -543.797772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.797772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.797772 (E_RNA) where: Base-Base interactions energy: -258.618 where: short stacking energy: -157.427 Base-Backbone interact. energy: -1.025 local terms energy: -284.154445 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -73.497 flat angles C4'-P-C4' energy: -59.299 flat angles P-C4'-P energy: -51.622 tors. eta vs tors. theta energy: -35.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -516.237921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.237921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.237921 (E_RNA) where: Base-Base interactions energy: -269.313 where: short stacking energy: -137.059 Base-Backbone interact. energy: -2.987 local terms energy: -243.938015 where: bonds (distance) C4'-P energy: -77.438 bonds (distance) P-C4' energy: -79.744 flat angles C4'-P-C4' energy: -58.150 flat angles P-C4'-P energy: -33.179 tors. eta vs tors. theta energy: 4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -363.703033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.703033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.703033 (E_RNA) where: Base-Base interactions energy: -148.756 where: short stacking energy: -94.142 Base-Backbone interact. energy: 0.808 local terms energy: -215.755052 where: bonds (distance) C4'-P energy: -60.760 bonds (distance) P-C4' energy: -68.308 flat angles C4'-P-C4' energy: -50.553 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: 9.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -310.387759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.387759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.387759 (E_RNA) where: Base-Base interactions energy: -123.835 where: short stacking energy: -87.419 Base-Backbone interact. energy: -0.468 local terms energy: -186.084718 where: bonds (distance) C4'-P energy: -61.387 bonds (distance) P-C4' energy: -70.482 flat angles C4'-P-C4' energy: -51.464 flat angles P-C4'-P energy: -31.611 tors. eta vs tors. theta energy: 28.860 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: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1282.740401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.740401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.740401 (E_RNA) where: Base-Base interactions energy: -874.820 where: short stacking energy: -366.839 Base-Backbone interact. energy: -0.516 local terms energy: -407.403667 where: bonds (distance) C4'-P energy: -76.609 bonds (distance) P-C4' energy: -75.881 flat angles C4'-P-C4' energy: -88.111 flat angles P-C4'-P energy: -57.314 tors. eta vs tors. theta energy: -109.489 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: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1165.543659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.543659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.543659 (E_RNA) where: Base-Base interactions energy: -763.525 where: short stacking energy: -334.055 Base-Backbone interact. energy: -2.564 local terms energy: -399.454748 where: bonds (distance) C4'-P energy: -77.268 bonds (distance) P-C4' energy: -71.244 flat angles C4'-P-C4' energy: -85.105 flat angles P-C4'-P energy: -61.945 tors. eta vs tors. theta energy: -103.893 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: 3, replica: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1012.067275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.067275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.067275 (E_RNA) where: Base-Base interactions energy: -639.064 where: short stacking energy: -279.351 Base-Backbone interact. energy: -0.968 local terms energy: -372.035157 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -81.049 flat angles C4'-P-C4' energy: -85.115 flat angles P-C4'-P energy: -44.469 tors. eta vs tors. theta energy: -81.920 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: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -975.477287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.477287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.477287 (E_RNA) where: Base-Base interactions energy: -628.096 where: short stacking energy: -247.261 Base-Backbone interact. energy: -0.731 local terms energy: -346.650344 where: bonds (distance) C4'-P energy: -81.917 bonds (distance) P-C4' energy: -68.771 flat angles C4'-P-C4' energy: -80.782 flat angles P-C4'-P energy: -49.779 tors. eta vs tors. theta energy: -65.402 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: 69 Temperature: 1.100000 Total energy: -914.401595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.401595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.401595 (E_RNA) where: Base-Base interactions energy: -578.222 where: short stacking energy: -273.389 Base-Backbone interact. energy: -0.368 local terms energy: -335.811048 where: bonds (distance) C4'-P energy: -75.932 bonds (distance) P-C4' energy: -57.994 flat angles C4'-P-C4' energy: -71.449 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -80.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -766.674615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.674615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.674615 (E_RNA) where: Base-Base interactions energy: -467.637 where: short stacking energy: -221.623 Base-Backbone interact. energy: -2.273 local terms energy: -296.764921 where: bonds (distance) C4'-P energy: -66.644 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -75.159 flat angles P-C4'-P energy: -29.701 tors. eta vs tors. theta energy: -55.017 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: 9 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -489.245635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.245635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.245635 (E_RNA) where: Base-Base interactions energy: -235.511 where: short stacking energy: -133.107 Base-Backbone interact. energy: -3.211 local terms energy: -250.523866 where: bonds (distance) C4'-P energy: -67.993 bonds (distance) P-C4' energy: -78.820 flat angles C4'-P-C4' energy: -68.998 flat angles P-C4'-P energy: -36.064 tors. eta vs tors. theta energy: 1.350 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: 69 Temperature: 1.250000 Total energy: -483.064731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.064731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.064731 (E_RNA) where: Base-Base interactions energy: -246.413 where: short stacking energy: -119.823 Base-Backbone interact. energy: 1.370 local terms energy: -238.022527 where: bonds (distance) C4'-P energy: -67.579 bonds (distance) P-C4' energy: -72.838 flat angles C4'-P-C4' energy: -68.494 flat angles P-C4'-P energy: -30.878 tors. eta vs tors. theta energy: 1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -402.899069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.899069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.899069 (E_RNA) where: Base-Base interactions energy: -174.724 where: short stacking energy: -100.202 Base-Backbone interact. energy: -2.045 local terms energy: -226.129389 where: bonds (distance) C4'-P energy: -58.296 bonds (distance) P-C4' energy: -76.673 flat angles C4'-P-C4' energy: -68.526 flat angles P-C4'-P energy: -26.866 tors. eta vs tors. theta energy: 4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -344.426385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.426385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.426385 (E_RNA) where: Base-Base interactions energy: -131.616 where: short stacking energy: -92.447 Base-Backbone interact. energy: -0.902 local terms energy: -211.908319 where: bonds (distance) C4'-P energy: -72.668 bonds (distance) P-C4' energy: -61.247 flat angles C4'-P-C4' energy: -46.226 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: 11.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1284.966101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.966101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.966101 (E_RNA) where: Base-Base interactions energy: -878.964 where: short stacking energy: -378.409 Base-Backbone interact. energy: -1.643 local terms energy: -404.358966 where: bonds (distance) C4'-P energy: -65.869 bonds (distance) P-C4' energy: -70.833 flat angles C4'-P-C4' energy: -88.948 flat angles P-C4'-P energy: -67.297 tors. eta vs tors. theta energy: -111.412 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: 2, replica: 3 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1178.975341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.975341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.975341 (E_RNA) where: Base-Base interactions energy: -806.691 where: short stacking energy: -336.364 Base-Backbone interact. energy: -3.684 local terms energy: -368.599544 where: bonds (distance) C4'-P energy: -69.652 bonds (distance) P-C4' energy: -70.759 flat angles C4'-P-C4' energy: -78.541 flat angles P-C4'-P energy: -48.481 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: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1007.074531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.074531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.074531 (E_RNA) where: Base-Base interactions energy: -654.886 where: short stacking energy: -272.302 Base-Backbone interact. energy: -1.668 local terms energy: -350.520683 where: bonds (distance) C4'-P energy: -69.464 bonds (distance) P-C4' energy: -86.989 flat angles C4'-P-C4' energy: -78.234 flat angles P-C4'-P energy: -50.285 tors. eta vs tors. theta energy: -65.549 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: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1037.119409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.119409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.119409 (E_RNA) where: Base-Base interactions energy: -675.320 where: short stacking energy: -292.878 Base-Backbone interact. energy: -0.451 local terms energy: -361.348442 where: bonds (distance) C4'-P energy: -69.085 bonds (distance) P-C4' energy: -81.744 flat angles C4'-P-C4' energy: -86.765 flat angles P-C4'-P energy: -47.479 tors. eta vs tors. theta energy: -76.276 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: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -914.349868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.349868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.349868 (E_RNA) where: Base-Base interactions energy: -579.539 where: short stacking energy: -275.043 Base-Backbone interact. energy: -1.414 local terms energy: -333.396457 where: bonds (distance) C4'-P energy: -79.457 bonds (distance) P-C4' energy: -73.796 flat angles C4'-P-C4' energy: -66.488 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -66.805 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: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -790.638282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.638282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.638282 (E_RNA) where: Base-Base interactions energy: -489.787 where: short stacking energy: -236.982 Base-Backbone interact. energy: -0.071 local terms energy: -300.779555 where: bonds (distance) C4'-P energy: -65.716 bonds (distance) P-C4' energy: -69.201 flat angles C4'-P-C4' energy: -66.016 flat angles P-C4'-P energy: -54.337 tors. eta vs tors. theta energy: -45.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -478.753666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.753666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.753666 (E_RNA) where: Base-Base interactions energy: -228.091 where: short stacking energy: -133.440 Base-Backbone interact. energy: -0.566 local terms energy: -250.096428 where: bonds (distance) C4'-P energy: -76.944 bonds (distance) P-C4' energy: -57.954 flat angles C4'-P-C4' energy: -65.405 flat angles P-C4'-P energy: -37.900 tors. eta vs tors. theta energy: -11.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -470.596615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.596615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.596615 (E_RNA) where: Base-Base interactions energy: -246.162 where: short stacking energy: -135.268 Base-Backbone interact. energy: 0.863 local terms energy: -225.297172 where: bonds (distance) C4'-P energy: -53.740 bonds (distance) P-C4' energy: -78.626 flat angles C4'-P-C4' energy: -51.031 flat angles P-C4'-P energy: -36.116 tors. eta vs tors. theta energy: -5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -395.867461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.867461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.867461 (E_RNA) where: Base-Base interactions energy: -161.564 where: short stacking energy: -91.094 Base-Backbone interact. energy: -1.507 local terms energy: -232.796895 where: bonds (distance) C4'-P energy: -63.525 bonds (distance) P-C4' energy: -77.177 flat angles C4'-P-C4' energy: -55.692 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: 9.402 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: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -406.782069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.782069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.782069 (E_RNA) where: Base-Base interactions energy: -179.836 where: short stacking energy: -109.408 Base-Backbone interact. energy: 0.554 local terms energy: -227.500771 where: bonds (distance) C4'-P energy: -67.956 bonds (distance) P-C4' energy: -71.047 flat angles C4'-P-C4' energy: -54.562 flat angles P-C4'-P energy: -35.788 tors. eta vs tors. theta energy: 1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1265.256670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.256670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.256670 (E_RNA) where: Base-Base interactions energy: -851.992 where: short stacking energy: -355.336 Base-Backbone interact. energy: -0.087 local terms energy: -413.177660 where: bonds (distance) C4'-P energy: -77.297 bonds (distance) P-C4' energy: -80.731 flat angles C4'-P-C4' energy: -90.298 flat angles P-C4'-P energy: -65.109 tors. eta vs tors. theta energy: -99.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1140.420431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.420431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.420431 (E_RNA) where: Base-Base interactions energy: -746.593 where: short stacking energy: -319.958 Base-Backbone interact. energy: -0.029 local terms energy: -393.798447 where: bonds (distance) C4'-P energy: -74.251 bonds (distance) P-C4' energy: -79.181 flat angles C4'-P-C4' energy: -83.934 flat angles P-C4'-P energy: -62.900 tors. eta vs tors. theta energy: -93.532 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: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1071.375071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.375071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.375071 (E_RNA) where: Base-Base interactions energy: -703.729 where: short stacking energy: -304.835 Base-Backbone interact. energy: 1.843 local terms energy: -369.489035 where: bonds (distance) C4'-P energy: -80.057 bonds (distance) P-C4' energy: -71.734 flat angles C4'-P-C4' energy: -93.694 flat angles P-C4'-P energy: -52.061 tors. eta vs tors. theta energy: -71.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1013.221848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.221848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.221848 (E_RNA) where: Base-Base interactions energy: -671.966 where: short stacking energy: -284.524 Base-Backbone interact. energy: -1.612 local terms energy: -339.643717 where: bonds (distance) C4'-P energy: -73.928 bonds (distance) P-C4' energy: -67.869 flat angles C4'-P-C4' energy: -76.317 flat angles P-C4'-P energy: -47.030 tors. eta vs tors. theta energy: -74.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -866.401550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.401550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.401550 (E_RNA) where: Base-Base interactions energy: -514.837 where: short stacking energy: -242.314 Base-Backbone interact. energy: -2.035 local terms energy: -349.528999 where: bonds (distance) C4'-P energy: -76.653 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -78.728 flat angles P-C4'-P energy: -52.441 tors. eta vs tors. theta energy: -70.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -746.334970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.334970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.334970 (E_RNA) where: Base-Base interactions energy: -440.505 where: short stacking energy: -215.234 Base-Backbone interact. energy: -1.153 local terms energy: -304.677705 where: bonds (distance) C4'-P energy: -67.159 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -76.035 flat angles P-C4'-P energy: -34.466 tors. eta vs tors. theta energy: -52.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -481.900140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.900140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.900140 (E_RNA) where: Base-Base interactions energy: -239.333 where: short stacking energy: -156.813 Base-Backbone interact. energy: -1.123 local terms energy: -241.443688 where: bonds (distance) C4'-P energy: -50.165 bonds (distance) P-C4' energy: -66.679 flat angles C4'-P-C4' energy: -70.807 flat angles P-C4'-P energy: -27.747 tors. eta vs tors. theta energy: -26.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -494.113325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.113325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.113325 (E_RNA) where: Base-Base interactions energy: -260.997 where: short stacking energy: -155.760 Base-Backbone interact. energy: 0.499 local terms energy: -233.615308 where: bonds (distance) C4'-P energy: -69.098 bonds (distance) P-C4' energy: -66.274 flat angles C4'-P-C4' energy: -61.652 flat angles P-C4'-P energy: -17.516 tors. eta vs tors. theta energy: -19.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -392.183533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.183533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.183533 (E_RNA) where: Base-Base interactions energy: -171.406 where: short stacking energy: -114.899 Base-Backbone interact. energy: -1.136 local terms energy: -219.641787 where: bonds (distance) C4'-P energy: -57.673 bonds (distance) P-C4' energy: -64.785 flat angles C4'-P-C4' energy: -55.619 flat angles P-C4'-P energy: -39.696 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -383.667599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.667599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.667599 (E_RNA) where: Base-Base interactions energy: -192.513 where: short stacking energy: -96.611 Base-Backbone interact. energy: -2.118 local terms energy: -189.037326 where: bonds (distance) C4'-P energy: -63.195 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -50.057 flat angles P-C4'-P energy: -22.714 tors. eta vs tors. theta energy: 15.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1283.772578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.772578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.772578 (E_RNA) where: Base-Base interactions energy: -869.261 where: short stacking energy: -365.724 Base-Backbone interact. energy: -1.128 local terms energy: -413.383706 where: bonds (distance) C4'-P energy: -75.135 bonds (distance) P-C4' energy: -75.079 flat angles C4'-P-C4' energy: -98.719 flat angles P-C4'-P energy: -58.932 tors. eta vs tors. theta energy: -105.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1172.945681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.945681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.945681 (E_RNA) where: Base-Base interactions energy: -787.356 where: short stacking energy: -331.372 Base-Backbone interact. energy: -2.554 local terms energy: -383.035348 where: bonds (distance) C4'-P energy: -71.895 bonds (distance) P-C4' energy: -77.621 flat angles C4'-P-C4' energy: -82.644 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -93.171 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: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1089.041861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.041861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.041861 (E_RNA) where: Base-Base interactions energy: -723.944 where: short stacking energy: -293.395 Base-Backbone interact. energy: -2.335 local terms energy: -362.763031 where: bonds (distance) C4'-P energy: -81.506 bonds (distance) P-C4' energy: -79.134 flat angles C4'-P-C4' energy: -71.389 flat angles P-C4'-P energy: -48.375 tors. eta vs tors. theta energy: -82.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -998.769607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.769607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.769607 (E_RNA) where: Base-Base interactions energy: -652.384 where: short stacking energy: -297.675 Base-Backbone interact. energy: -1.700 local terms energy: -344.685357 where: bonds (distance) C4'-P energy: -74.416 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -78.340 flat angles P-C4'-P energy: -52.867 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: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -923.104919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.104919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.104919 (E_RNA) where: Base-Base interactions energy: -612.679 where: short stacking energy: -277.805 Base-Backbone interact. energy: -2.031 local terms energy: -308.395060 where: bonds (distance) C4'-P energy: -44.572 bonds (distance) P-C4' energy: -68.719 flat angles C4'-P-C4' energy: -80.234 flat angles P-C4'-P energy: -40.584 tors. eta vs tors. theta energy: -74.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -757.603512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.603512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.603512 (E_RNA) where: Base-Base interactions energy: -451.586 where: short stacking energy: -236.177 Base-Backbone interact. energy: -4.442 local terms energy: -301.575946 where: bonds (distance) C4'-P energy: -60.253 bonds (distance) P-C4' energy: -69.393 flat angles C4'-P-C4' energy: -83.355 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -40.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -575.366377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.366377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.366377 (E_RNA) where: Base-Base interactions energy: -279.393 where: short stacking energy: -143.866 Base-Backbone interact. energy: 1.867 local terms energy: -297.840304 where: bonds (distance) C4'-P energy: -68.445 bonds (distance) P-C4' energy: -76.162 flat angles C4'-P-C4' energy: -75.575 flat angles P-C4'-P energy: -49.472 tors. eta vs tors. theta energy: -28.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -468.663823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.663823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.663823 (E_RNA) where: Base-Base interactions energy: -217.489 where: short stacking energy: -133.547 Base-Backbone interact. energy: 3.609 local terms energy: -254.783743 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -67.883 flat angles C4'-P-C4' energy: -66.255 flat angles P-C4'-P energy: -41.179 tors. eta vs tors. theta energy: -14.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -426.392349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.392349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.392349 (E_RNA) where: Base-Base interactions energy: -195.883 where: short stacking energy: -120.153 Base-Backbone interact. energy: 3.910 local terms energy: -234.418933 where: bonds (distance) C4'-P energy: -72.377 bonds (distance) P-C4' energy: -72.695 flat angles C4'-P-C4' energy: -55.361 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: 12.953 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: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -368.544192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.544192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.544192 (E_RNA) where: Base-Base interactions energy: -133.230 where: short stacking energy: -87.693 Base-Backbone interact. energy: -0.806 local terms energy: -234.508323 where: bonds (distance) C4'-P energy: -67.154 bonds (distance) P-C4' energy: -68.135 flat angles C4'-P-C4' energy: -68.926 flat angles P-C4'-P energy: -37.853 tors. eta vs tors. theta energy: 7.560 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: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1248.001374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.001374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.001374 (E_RNA) where: Base-Base interactions energy: -816.564 where: short stacking energy: -332.010 Base-Backbone interact. energy: -0.698 local terms energy: -430.739131 where: bonds (distance) C4'-P energy: -83.020 bonds (distance) P-C4' energy: -95.572 flat angles C4'-P-C4' energy: -85.803 flat angles P-C4'-P energy: -53.241 tors. eta vs tors. theta energy: -113.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1182.959060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.959060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.959060 (E_RNA) where: Base-Base interactions energy: -798.176 where: short stacking energy: -336.285 Base-Backbone interact. energy: -3.840 local terms energy: -380.943102 where: bonds (distance) C4'-P energy: -70.569 bonds (distance) P-C4' energy: -73.158 flat angles C4'-P-C4' energy: -85.841 flat angles P-C4'-P energy: -52.491 tors. eta vs tors. theta energy: -98.884 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: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1080.546873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.546873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.546873 (E_RNA) where: Base-Base interactions energy: -712.419 where: short stacking energy: -309.405 Base-Backbone interact. energy: -2.274 local terms energy: -365.853611 where: bonds (distance) C4'-P energy: -68.169 bonds (distance) P-C4' energy: -71.576 flat angles C4'-P-C4' energy: -84.009 flat angles P-C4'-P energy: -56.936 tors. eta vs tors. theta energy: -85.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1054.376465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.376465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.376465 (E_RNA) where: Base-Base interactions energy: -702.507 where: short stacking energy: -299.457 Base-Backbone interact. energy: -1.359 local terms energy: -350.510237 where: bonds (distance) C4'-P energy: -68.731 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -83.037 flat angles P-C4'-P energy: -37.547 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: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -920.704670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.704670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.704670 (E_RNA) where: Base-Base interactions energy: -576.626 where: short stacking energy: -278.868 Base-Backbone interact. energy: -1.550 local terms energy: -342.529042 where: bonds (distance) C4'-P energy: -59.357 bonds (distance) P-C4' energy: -87.539 flat angles C4'-P-C4' energy: -68.573 flat angles P-C4'-P energy: -48.726 tors. eta vs tors. theta energy: -78.334 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: 6, replica: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -804.452519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.452519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.452519 (E_RNA) where: Base-Base interactions energy: -493.334 where: short stacking energy: -233.402 Base-Backbone interact. energy: -2.147 local terms energy: -308.971909 where: bonds (distance) C4'-P energy: -75.952 bonds (distance) P-C4' energy: -59.077 flat angles C4'-P-C4' energy: -67.714 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -59.646 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: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -637.969951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.969951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.969951 (E_RNA) where: Base-Base interactions energy: -358.841 where: short stacking energy: -200.037 Base-Backbone interact. energy: 0.345 local terms energy: -279.474293 where: bonds (distance) C4'-P energy: -65.207 bonds (distance) P-C4' energy: -65.728 flat angles C4'-P-C4' energy: -68.810 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: -27.359 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: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -461.594037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.594037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.594037 (E_RNA) where: Base-Base interactions energy: -215.140 where: short stacking energy: -111.825 Base-Backbone interact. energy: -1.846 local terms energy: -244.608123 where: bonds (distance) C4'-P energy: -72.255 bonds (distance) P-C4' energy: -68.258 flat angles C4'-P-C4' energy: -60.734 flat angles P-C4'-P energy: -43.104 tors. eta vs tors. theta energy: -0.257 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: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -464.045150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.045150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.045150 (E_RNA) where: Base-Base interactions energy: -213.560 where: short stacking energy: -144.419 Base-Backbone interact. energy: 0.939 local terms energy: -251.423675 where: bonds (distance) C4'-P energy: -61.523 bonds (distance) P-C4' energy: -67.203 flat angles C4'-P-C4' energy: -70.114 flat angles P-C4'-P energy: -46.363 tors. eta vs tors. theta energy: -6.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -350.791815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.791815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.791815 (E_RNA) where: Base-Base interactions energy: -156.665 where: short stacking energy: -104.826 Base-Backbone interact. energy: -0.184 local terms energy: -193.943384 where: bonds (distance) C4'-P energy: -62.638 bonds (distance) P-C4' energy: -69.171 flat angles C4'-P-C4' energy: -33.550 flat angles P-C4'-P energy: -39.215 tors. eta vs tors. theta energy: 10.630 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: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1237.211928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.211928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.211928 (E_RNA) where: Base-Base interactions energy: -829.997 where: short stacking energy: -361.281 Base-Backbone interact. energy: -2.534 local terms energy: -404.681452 where: bonds (distance) C4'-P energy: -74.923 bonds (distance) P-C4' energy: -77.132 flat angles C4'-P-C4' energy: -92.634 flat angles P-C4'-P energy: -58.544 tors. eta vs tors. theta energy: -101.448 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: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1188.158739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.158739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.158739 (E_RNA) where: Base-Base interactions energy: -794.243 where: short stacking energy: -344.700 Base-Backbone interact. energy: -0.603 local terms energy: -393.312790 where: bonds (distance) C4'-P energy: -73.474 bonds (distance) P-C4' energy: -81.660 flat angles C4'-P-C4' energy: -89.846 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -90.607 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: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1052.860583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.860583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.860583 (E_RNA) where: Base-Base interactions energy: -684.795 where: short stacking energy: -292.760 Base-Backbone interact. energy: -0.865 local terms energy: -367.199854 where: bonds (distance) C4'-P energy: -78.180 bonds (distance) P-C4' energy: -81.940 flat angles C4'-P-C4' energy: -78.700 flat angles P-C4'-P energy: -56.477 tors. eta vs tors. theta energy: -71.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1021.366335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.366335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.366335 (E_RNA) where: Base-Base interactions energy: -671.385 where: short stacking energy: -301.402 Base-Backbone interact. energy: 0.510 local terms energy: -350.491022 where: bonds (distance) C4'-P energy: -70.245 bonds (distance) P-C4' energy: -78.117 flat angles C4'-P-C4' energy: -79.674 flat angles P-C4'-P energy: -50.293 tors. eta vs tors. theta energy: -72.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -871.542275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.542275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.542275 (E_RNA) where: Base-Base interactions energy: -536.603 where: short stacking energy: -268.608 Base-Backbone interact. energy: -0.928 local terms energy: -334.010509 where: bonds (distance) C4'-P energy: -83.805 bonds (distance) P-C4' energy: -71.813 flat angles C4'-P-C4' energy: -69.675 flat angles P-C4'-P energy: -44.824 tors. eta vs tors. theta energy: -63.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -836.598965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.598965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.598965 (E_RNA) where: Base-Base interactions energy: -520.360 where: short stacking energy: -220.647 Base-Backbone interact. energy: -0.407 local terms energy: -315.831118 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -76.276 flat angles C4'-P-C4' energy: -75.192 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: -49.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -587.678037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.678037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.678037 (E_RNA) where: Base-Base interactions energy: -338.235 where: short stacking energy: -156.837 Base-Backbone interact. energy: -1.969 local terms energy: -247.473607 where: bonds (distance) C4'-P energy: -56.027 bonds (distance) P-C4' energy: -65.914 flat angles C4'-P-C4' energy: -67.784 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -18.393 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: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -446.223977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.223977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.223977 (E_RNA) where: Base-Base interactions energy: -213.256 where: short stacking energy: -129.054 Base-Backbone interact. energy: 5.317 local terms energy: -238.285178 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -68.890 flat angles C4'-P-C4' energy: -63.040 flat angles P-C4'-P energy: -39.129 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -426.739121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.739121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.739121 (E_RNA) where: Base-Base interactions energy: -194.632 where: short stacking energy: -116.360 Base-Backbone interact. energy: -0.880 local terms energy: -231.226950 where: bonds (distance) C4'-P energy: -70.748 bonds (distance) P-C4' energy: -72.604 flat angles C4'-P-C4' energy: -61.748 flat angles P-C4'-P energy: -28.847 tors. eta vs tors. theta energy: 2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -322.996479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.996479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.996479 (E_RNA) where: Base-Base interactions energy: -116.334 where: short stacking energy: -98.815 Base-Backbone interact. energy: -0.117 local terms energy: -206.545882 where: bonds (distance) C4'-P energy: -61.557 bonds (distance) P-C4' energy: -63.315 flat angles C4'-P-C4' energy: -55.307 flat angles P-C4'-P energy: -19.719 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1240.051302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.051302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.051302 (E_RNA) where: Base-Base interactions energy: -830.500 where: short stacking energy: -348.011 Base-Backbone interact. energy: -0.189 local terms energy: -409.362894 where: bonds (distance) C4'-P energy: -87.668 bonds (distance) P-C4' energy: -79.140 flat angles C4'-P-C4' energy: -90.526 flat angles P-C4'-P energy: -57.228 tors. eta vs tors. theta energy: -94.800 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: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1239.066008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.066008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.066008 (E_RNA) where: Base-Base interactions energy: -830.798 where: short stacking energy: -340.347 Base-Backbone interact. energy: -0.645 local terms energy: -407.622495 where: bonds (distance) C4'-P energy: -70.042 bonds (distance) P-C4' energy: -92.477 flat angles C4'-P-C4' energy: -85.613 flat angles P-C4'-P energy: -60.659 tors. eta vs tors. theta energy: -98.832 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: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1051.952648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.952648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.952648 (E_RNA) where: Base-Base interactions energy: -697.423 where: short stacking energy: -301.218 Base-Backbone interact. energy: -0.739 local terms energy: -353.790899 where: bonds (distance) C4'-P energy: -77.132 bonds (distance) P-C4' energy: -68.358 flat angles C4'-P-C4' energy: -74.995 flat angles P-C4'-P energy: -44.269 tors. eta vs tors. theta energy: -89.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1067.502073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.502073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.502073 (E_RNA) where: Base-Base interactions energy: -692.429 where: short stacking energy: -294.912 Base-Backbone interact. energy: -1.954 local terms energy: -373.118966 where: bonds (distance) C4'-P energy: -71.168 bonds (distance) P-C4' energy: -78.885 flat angles C4'-P-C4' energy: -81.782 flat angles P-C4'-P energy: -57.642 tors. eta vs tors. theta energy: -83.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -855.357428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.357428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.357428 (E_RNA) where: Base-Base interactions energy: -529.036 where: short stacking energy: -255.547 Base-Backbone interact. energy: 4.587 local terms energy: -330.908119 where: bonds (distance) C4'-P energy: -60.319 bonds (distance) P-C4' energy: -65.855 flat angles C4'-P-C4' energy: -69.893 flat angles P-C4'-P energy: -54.179 tors. eta vs tors. theta energy: -80.663 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: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -836.819017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.819017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.819017 (E_RNA) where: Base-Base interactions energy: -539.456 where: short stacking energy: -256.815 Base-Backbone interact. energy: -2.385 local terms energy: -294.978618 where: bonds (distance) C4'-P energy: -66.994 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -63.846 flat angles P-C4'-P energy: -48.217 tors. eta vs tors. theta energy: -54.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -522.283647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.283647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.283647 (E_RNA) where: Base-Base interactions energy: -265.435 where: short stacking energy: -144.417 Base-Backbone interact. energy: -3.567 local terms energy: -253.281022 where: bonds (distance) C4'-P energy: -74.109 bonds (distance) P-C4' energy: -76.331 flat angles C4'-P-C4' energy: -42.375 flat angles P-C4'-P energy: -36.848 tors. eta vs tors. theta energy: -23.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -549.715282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.715282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.715282 (E_RNA) where: Base-Base interactions energy: -291.793 where: short stacking energy: -161.152 Base-Backbone interact. energy: 0.280 local terms energy: -258.202792 where: bonds (distance) C4'-P energy: -61.915 bonds (distance) P-C4' energy: -73.244 flat angles C4'-P-C4' energy: -64.380 flat angles P-C4'-P energy: -34.544 tors. eta vs tors. theta energy: -24.120 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: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -424.422371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.422371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.422371 (E_RNA) where: Base-Base interactions energy: -174.942 where: short stacking energy: -120.650 Base-Backbone interact. energy: -0.210 local terms energy: -249.270582 where: bonds (distance) C4'-P energy: -69.210 bonds (distance) P-C4' energy: -80.680 flat angles C4'-P-C4' energy: -64.918 flat angles P-C4'-P energy: -32.456 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -323.812896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.812896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.812896 (E_RNA) where: Base-Base interactions energy: -116.515 where: short stacking energy: -98.101 Base-Backbone interact. energy: -1.769 local terms energy: -205.528359 where: bonds (distance) C4'-P energy: -55.449 bonds (distance) P-C4' energy: -63.079 flat angles C4'-P-C4' energy: -53.313 flat angles P-C4'-P energy: -41.971 tors. eta vs tors. theta energy: 8.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1259.517041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.517041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.517041 (E_RNA) where: Base-Base interactions energy: -852.556 where: short stacking energy: -348.233 Base-Backbone interact. energy: -0.349 local terms energy: -406.612044 where: bonds (distance) C4'-P energy: -77.092 bonds (distance) P-C4' energy: -78.391 flat angles C4'-P-C4' energy: -84.278 flat angles P-C4'-P energy: -59.909 tors. eta vs tors. theta energy: -106.941 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: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1205.410438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.410438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.410438 (E_RNA) where: Base-Base interactions energy: -806.725 where: short stacking energy: -313.134 Base-Backbone interact. energy: -2.091 local terms energy: -396.594483 where: bonds (distance) C4'-P energy: -87.013 bonds (distance) P-C4' energy: -83.892 flat angles C4'-P-C4' energy: -80.713 flat angles P-C4'-P energy: -53.190 tors. eta vs tors. theta energy: -91.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1118.744512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.744512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.744512 (E_RNA) where: Base-Base interactions energy: -737.616 where: short stacking energy: -319.155 Base-Backbone interact. energy: -2.423 local terms energy: -378.705366 where: bonds (distance) C4'-P energy: -60.422 bonds (distance) P-C4' energy: -68.339 flat angles C4'-P-C4' energy: -82.470 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -99.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1030.638022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.638022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.638022 (E_RNA) where: Base-Base interactions energy: -657.362 where: short stacking energy: -304.852 Base-Backbone interact. energy: -0.082 local terms energy: -373.193110 where: bonds (distance) C4'-P energy: -63.978 bonds (distance) P-C4' energy: -75.311 flat angles C4'-P-C4' energy: -86.366 flat angles P-C4'-P energy: -54.193 tors. eta vs tors. theta energy: -93.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -872.132164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.132164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.132164 (E_RNA) where: Base-Base interactions energy: -524.601 where: short stacking energy: -268.825 Base-Backbone interact. energy: -1.451 local terms energy: -346.080281 where: bonds (distance) C4'-P energy: -72.102 bonds (distance) P-C4' energy: -69.495 flat angles C4'-P-C4' energy: -82.288 flat angles P-C4'-P energy: -51.698 tors. eta vs tors. theta energy: -70.498 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: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -832.099499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.099499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.099499 (E_RNA) where: Base-Base interactions energy: -513.377 where: short stacking energy: -235.061 Base-Backbone interact. energy: 3.335 local terms energy: -322.057638 where: bonds (distance) C4'-P energy: -63.234 bonds (distance) P-C4' energy: -77.896 flat angles C4'-P-C4' energy: -65.948 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: -56.144 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: 7, replica: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -595.828601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.828601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.828601 (E_RNA) where: Base-Base interactions energy: -326.985 where: short stacking energy: -157.242 Base-Backbone interact. energy: -3.862 local terms energy: -264.981004 where: bonds (distance) C4'-P energy: -64.814 bonds (distance) P-C4' energy: -78.382 flat angles C4'-P-C4' energy: -65.183 flat angles P-C4'-P energy: -40.106 tors. eta vs tors. theta energy: -16.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -441.490563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.490563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.490563 (E_RNA) where: Base-Base interactions energy: -212.398 where: short stacking energy: -119.982 Base-Backbone interact. energy: 0.017 local terms energy: -229.109986 where: bonds (distance) C4'-P energy: -75.993 bonds (distance) P-C4' energy: -64.308 flat angles C4'-P-C4' energy: -45.106 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: 6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -442.552465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.552465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.552465 (E_RNA) where: Base-Base interactions energy: -205.464 where: short stacking energy: -123.502 Base-Backbone interact. energy: 5.090 local terms energy: -242.177879 where: bonds (distance) C4'-P energy: -64.755 bonds (distance) P-C4' energy: -65.628 flat angles C4'-P-C4' energy: -60.602 flat angles P-C4'-P energy: -37.513 tors. eta vs tors. theta energy: -13.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -316.011584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.011584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.011584 (E_RNA) where: Base-Base interactions energy: -102.991 where: short stacking energy: -94.138 Base-Backbone interact. energy: 0.268 local terms energy: -213.289006 where: bonds (distance) C4'-P energy: -76.165 bonds (distance) P-C4' energy: -62.511 flat angles C4'-P-C4' energy: -51.435 flat angles P-C4'-P energy: -30.536 tors. eta vs tors. theta energy: 7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1236.716644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.716644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.716644 (E_RNA) where: Base-Base interactions energy: -838.322 where: short stacking energy: -363.298 Base-Backbone interact. energy: 2.048 local terms energy: -400.442279 where: bonds (distance) C4'-P energy: -87.020 bonds (distance) P-C4' energy: -77.811 flat angles C4'-P-C4' energy: -76.046 flat angles P-C4'-P energy: -62.487 tors. eta vs tors. theta energy: -97.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1196.754341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.754341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.754341 (E_RNA) where: Base-Base interactions energy: -810.234 where: short stacking energy: -339.550 Base-Backbone interact. energy: -3.514 local terms energy: -383.006389 where: bonds (distance) C4'-P energy: -74.161 bonds (distance) P-C4' energy: -72.945 flat angles C4'-P-C4' energy: -86.468 flat angles P-C4'-P energy: -57.862 tors. eta vs tors. theta energy: -91.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1151.976625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.976625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.976625 (E_RNA) where: Base-Base interactions energy: -757.555 where: short stacking energy: -320.628 Base-Backbone interact. energy: -2.392 local terms energy: -392.030159 where: bonds (distance) C4'-P energy: -72.407 bonds (distance) P-C4' energy: -68.904 flat angles C4'-P-C4' energy: -83.682 flat angles P-C4'-P energy: -57.585 tors. eta vs tors. theta energy: -109.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1037.929672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.929672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.929672 (E_RNA) where: Base-Base interactions energy: -675.115 where: short stacking energy: -313.481 Base-Backbone interact. energy: 3.320 local terms energy: -366.134719 where: bonds (distance) C4'-P energy: -59.994 bonds (distance) P-C4' energy: -76.162 flat angles C4'-P-C4' energy: -84.742 flat angles P-C4'-P energy: -48.794 tors. eta vs tors. theta energy: -96.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -891.640822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.640822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.640822 (E_RNA) where: Base-Base interactions energy: -540.087 where: short stacking energy: -277.544 Base-Backbone interact. energy: -0.569 local terms energy: -350.984138 where: bonds (distance) C4'-P energy: -56.747 bonds (distance) P-C4' energy: -84.630 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -52.454 tors. eta vs tors. theta energy: -82.851 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: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -774.874200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.874200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.874200 (E_RNA) where: Base-Base interactions energy: -454.127 where: short stacking energy: -218.350 Base-Backbone interact. energy: -1.322 local terms energy: -319.425272 where: bonds (distance) C4'-P energy: -69.623 bonds (distance) P-C4' energy: -65.446 flat angles C4'-P-C4' energy: -82.210 flat angles P-C4'-P energy: -47.899 tors. eta vs tors. theta energy: -54.247 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: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -604.144953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.144953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.144953 (E_RNA) where: Base-Base interactions energy: -334.091 where: short stacking energy: -171.602 Base-Backbone interact. energy: -2.337 local terms energy: -267.716811 where: bonds (distance) C4'-P energy: -69.287 bonds (distance) P-C4' energy: -75.845 flat angles C4'-P-C4' energy: -63.614 flat angles P-C4'-P energy: -44.676 tors. eta vs tors. theta energy: -14.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -467.296454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.296454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.296454 (E_RNA) where: Base-Base interactions energy: -243.729 where: short stacking energy: -129.359 Base-Backbone interact. energy: 0.753 local terms energy: -224.320554 where: bonds (distance) C4'-P energy: -54.554 bonds (distance) P-C4' energy: -66.630 flat angles C4'-P-C4' energy: -59.694 flat angles P-C4'-P energy: -38.854 tors. eta vs tors. theta energy: -4.589 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: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -410.085022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.085022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.085022 (E_RNA) where: Base-Base interactions energy: -165.286 where: short stacking energy: -97.622 Base-Backbone interact. energy: 2.446 local terms energy: -247.245113 where: bonds (distance) C4'-P energy: -62.935 bonds (distance) P-C4' energy: -74.075 flat angles C4'-P-C4' energy: -64.176 flat angles P-C4'-P energy: -47.271 tors. eta vs tors. theta energy: 1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -318.291448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.291448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.291448 (E_RNA) where: Base-Base interactions energy: -95.981 where: short stacking energy: -84.387 Base-Backbone interact. energy: -0.835 local terms energy: -221.475527 where: bonds (distance) C4'-P energy: -64.103 bonds (distance) P-C4' energy: -71.262 flat angles C4'-P-C4' energy: -62.116 flat angles P-C4'-P energy: -29.971 tors. eta vs tors. theta energy: 5.977 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: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1258.230148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.230148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.230148 (E_RNA) where: Base-Base interactions energy: -845.499 where: short stacking energy: -352.046 Base-Backbone interact. energy: 0.021 local terms energy: -412.752910 where: bonds (distance) C4'-P energy: -80.153 bonds (distance) P-C4' energy: -77.649 flat angles C4'-P-C4' energy: -88.914 flat angles P-C4'-P energy: -60.086 tors. eta vs tors. theta energy: -105.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1204.537987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.537987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.537987 (E_RNA) where: Base-Base interactions energy: -823.078 where: short stacking energy: -350.538 Base-Backbone interact. energy: -2.687 local terms energy: -378.773467 where: bonds (distance) C4'-P energy: -73.588 bonds (distance) P-C4' energy: -56.870 flat angles C4'-P-C4' energy: -89.593 flat angles P-C4'-P energy: -59.148 tors. eta vs tors. theta energy: -99.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1153.328548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.328548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.328548 (E_RNA) where: Base-Base interactions energy: -777.087 where: short stacking energy: -333.451 Base-Backbone interact. energy: -1.469 local terms energy: -374.772368 where: bonds (distance) C4'-P energy: -74.864 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -81.611 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -99.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1023.021161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.021161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.021161 (E_RNA) where: Base-Base interactions energy: -663.104 where: short stacking energy: -306.562 Base-Backbone interact. energy: -1.620 local terms energy: -358.296689 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -75.358 flat angles C4'-P-C4' energy: -88.290 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -85.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -852.059782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.059782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.059782 (E_RNA) where: Base-Base interactions energy: -504.901 where: short stacking energy: -258.434 Base-Backbone interact. energy: -0.394 local terms energy: -346.764269 where: bonds (distance) C4'-P energy: -78.643 bonds (distance) P-C4' energy: -78.586 flat angles C4'-P-C4' energy: -77.893 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: -66.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -809.032286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.032286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.032286 (E_RNA) where: Base-Base interactions energy: -523.658 where: short stacking energy: -226.024 Base-Backbone interact. energy: -0.392 local terms energy: -284.982181 where: bonds (distance) C4'-P energy: -67.901 bonds (distance) P-C4' energy: -69.158 flat angles C4'-P-C4' energy: -67.353 flat angles P-C4'-P energy: -42.980 tors. eta vs tors. theta energy: -37.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -548.808058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.808058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.808058 (E_RNA) where: Base-Base interactions energy: -283.090 where: short stacking energy: -148.768 Base-Backbone interact. energy: -2.296 local terms energy: -263.421871 where: bonds (distance) C4'-P energy: -69.915 bonds (distance) P-C4' energy: -73.693 flat angles C4'-P-C4' energy: -72.647 flat angles P-C4'-P energy: -34.900 tors. eta vs tors. theta energy: -12.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -463.663194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.663194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.663194 (E_RNA) where: Base-Base interactions energy: -223.643 where: short stacking energy: -141.145 Base-Backbone interact. energy: 0.623 local terms energy: -240.643619 where: bonds (distance) C4'-P energy: -61.273 bonds (distance) P-C4' energy: -67.443 flat angles C4'-P-C4' energy: -55.730 flat angles P-C4'-P energy: -33.390 tors. eta vs tors. theta energy: -22.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -407.003078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.003078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.003078 (E_RNA) where: Base-Base interactions energy: -171.913 where: short stacking energy: -103.531 Base-Backbone interact. energy: -0.152 local terms energy: -234.938483 where: bonds (distance) C4'-P energy: -61.517 bonds (distance) P-C4' energy: -77.781 flat angles C4'-P-C4' energy: -55.270 flat angles P-C4'-P energy: -37.649 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -297.322867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.322867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.322867 (E_RNA) where: Base-Base interactions energy: -88.695 where: short stacking energy: -63.171 Base-Backbone interact. energy: -2.139 local terms energy: -206.489268 where: bonds (distance) C4'-P energy: -69.996 bonds (distance) P-C4' energy: -80.704 flat angles C4'-P-C4' energy: -44.079 flat angles P-C4'-P energy: -28.228 tors. eta vs tors. theta energy: 16.518 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: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1291.643574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.643574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.643574 (E_RNA) where: Base-Base interactions energy: -894.063 where: short stacking energy: -378.183 Base-Backbone interact. energy: 0.805 local terms energy: -398.385585 where: bonds (distance) C4'-P energy: -79.379 bonds (distance) P-C4' energy: -76.182 flat angles C4'-P-C4' energy: -82.557 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -112.923 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: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1200.340908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.340908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.340908 (E_RNA) where: Base-Base interactions energy: -823.983 where: short stacking energy: -344.809 Base-Backbone interact. energy: 1.188 local terms energy: -377.546003 where: bonds (distance) C4'-P energy: -79.016 bonds (distance) P-C4' energy: -75.332 flat angles C4'-P-C4' energy: -76.191 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: -94.306 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: 3, replica: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1168.478481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.478481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.478481 (E_RNA) where: Base-Base interactions energy: -760.898 where: short stacking energy: -345.367 Base-Backbone interact. energy: -1.609 local terms energy: -405.971451 where: bonds (distance) C4'-P energy: -70.601 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -80.787 flat angles P-C4'-P energy: -61.801 tors. eta vs tors. theta energy: -116.071 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: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1037.647132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.647132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.647132 (E_RNA) where: Base-Base interactions energy: -670.580 where: short stacking energy: -277.756 Base-Backbone interact. energy: -1.650 local terms energy: -365.416887 where: bonds (distance) C4'-P energy: -71.935 bonds (distance) P-C4' energy: -76.212 flat angles C4'-P-C4' energy: -72.348 flat angles P-C4'-P energy: -60.108 tors. eta vs tors. theta energy: -84.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -867.076120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.076120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.076120 (E_RNA) where: Base-Base interactions energy: -541.678 where: short stacking energy: -255.074 Base-Backbone interact. energy: 3.151 local terms energy: -328.549751 where: bonds (distance) C4'-P energy: -74.105 bonds (distance) P-C4' energy: -62.448 flat angles C4'-P-C4' energy: -70.109 flat angles P-C4'-P energy: -60.549 tors. eta vs tors. theta energy: -61.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -833.996971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.996971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.996971 (E_RNA) where: Base-Base interactions energy: -504.085 where: short stacking energy: -210.573 Base-Backbone interact. energy: 0.571 local terms energy: -330.483115 where: bonds (distance) C4'-P energy: -79.683 bonds (distance) P-C4' energy: -80.497 flat angles C4'-P-C4' energy: -71.436 flat angles P-C4'-P energy: -57.214 tors. eta vs tors. theta energy: -41.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -577.370626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.370626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.370626 (E_RNA) where: Base-Base interactions energy: -285.114 where: short stacking energy: -170.880 Base-Backbone interact. energy: -1.141 local terms energy: -291.116236 where: bonds (distance) C4'-P energy: -80.416 bonds (distance) P-C4' energy: -65.970 flat angles C4'-P-C4' energy: -69.084 flat angles P-C4'-P energy: -42.054 tors. eta vs tors. theta energy: -33.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -447.542713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.542713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.542713 (E_RNA) where: Base-Base interactions energy: -212.998 where: short stacking energy: -130.683 Base-Backbone interact. energy: -0.767 local terms energy: -233.777360 where: bonds (distance) C4'-P energy: -70.713 bonds (distance) P-C4' energy: -73.648 flat angles C4'-P-C4' energy: -58.336 flat angles P-C4'-P energy: -34.185 tors. eta vs tors. theta energy: 3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -412.960550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.960550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.960550 (E_RNA) where: Base-Base interactions energy: -191.970 where: short stacking energy: -119.564 Base-Backbone interact. energy: -1.083 local terms energy: -219.907352 where: bonds (distance) C4'-P energy: -69.793 bonds (distance) P-C4' energy: -62.568 flat angles C4'-P-C4' energy: -55.340 flat angles P-C4'-P energy: -28.367 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -316.712235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.712235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.712235 (E_RNA) where: Base-Base interactions energy: -120.708 where: short stacking energy: -93.166 Base-Backbone interact. energy: 2.720 local terms energy: -198.723958 where: bonds (distance) C4'-P energy: -53.020 bonds (distance) P-C4' energy: -73.835 flat angles C4'-P-C4' energy: -45.030 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: 8.176 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: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1273.963172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.963172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.963172 (E_RNA) where: Base-Base interactions energy: -850.913 where: short stacking energy: -398.633 Base-Backbone interact. energy: -1.467 local terms energy: -421.583894 where: bonds (distance) C4'-P energy: -77.101 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -91.274 flat angles P-C4'-P energy: -53.666 tors. eta vs tors. theta energy: -113.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1222.303892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.303892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.303892 (E_RNA) where: Base-Base interactions energy: -844.620 where: short stacking energy: -337.658 Base-Backbone interact. energy: -3.785 local terms energy: -373.899423 where: bonds (distance) C4'-P energy: -75.727 bonds (distance) P-C4' energy: -83.496 flat angles C4'-P-C4' energy: -78.587 flat angles P-C4'-P energy: -47.106 tors. eta vs tors. theta energy: -88.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1181.826019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.826019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.826019 (E_RNA) where: Base-Base interactions energy: -776.917 where: short stacking energy: -377.361 Base-Backbone interact. energy: -2.321 local terms energy: -402.587342 where: bonds (distance) C4'-P energy: -82.682 bonds (distance) P-C4' energy: -70.996 flat angles C4'-P-C4' energy: -79.683 flat angles P-C4'-P energy: -56.286 tors. eta vs tors. theta energy: -112.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1007.961600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.961600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.961600 (E_RNA) where: Base-Base interactions energy: -653.576 where: short stacking energy: -287.699 Base-Backbone interact. energy: -0.016 local terms energy: -354.369489 where: bonds (distance) C4'-P energy: -74.264 bonds (distance) P-C4' energy: -78.152 flat angles C4'-P-C4' energy: -73.307 flat angles P-C4'-P energy: -57.853 tors. eta vs tors. theta energy: -70.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -840.267910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.267910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.267910 (E_RNA) where: Base-Base interactions energy: -524.543 where: short stacking energy: -266.704 Base-Backbone interact. energy: 0.005 local terms energy: -315.729349 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -71.531 flat angles C4'-P-C4' energy: -71.197 flat angles P-C4'-P energy: -50.677 tors. eta vs tors. theta energy: -64.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -820.568490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.568490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.568490 (E_RNA) where: Base-Base interactions energy: -480.827 where: short stacking energy: -222.767 Base-Backbone interact. energy: -0.248 local terms energy: -339.494103 where: bonds (distance) C4'-P energy: -73.801 bonds (distance) P-C4' energy: -71.811 flat angles C4'-P-C4' energy: -82.828 flat angles P-C4'-P energy: -55.701 tors. eta vs tors. theta energy: -55.353 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: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -653.854216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.854216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.854216 (E_RNA) where: Base-Base interactions energy: -372.389 where: short stacking energy: -171.544 Base-Backbone interact. energy: -1.238 local terms energy: -280.227016 where: bonds (distance) C4'-P energy: -74.231 bonds (distance) P-C4' energy: -59.851 flat angles C4'-P-C4' energy: -72.762 flat angles P-C4'-P energy: -44.868 tors. eta vs tors. theta energy: -28.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -432.565014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.565014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.565014 (E_RNA) where: Base-Base interactions energy: -211.684 where: short stacking energy: -114.903 Base-Backbone interact. energy: -0.328 local terms energy: -220.552729 where: bonds (distance) C4'-P energy: -63.090 bonds (distance) P-C4' energy: -70.422 flat angles C4'-P-C4' energy: -59.825 flat angles P-C4'-P energy: -37.786 tors. eta vs tors. theta energy: 10.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -414.674977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.674977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.674977 (E_RNA) where: Base-Base interactions energy: -206.309 where: short stacking energy: -136.590 Base-Backbone interact. energy: 1.379 local terms energy: -209.744714 where: bonds (distance) C4'-P energy: -62.584 bonds (distance) P-C4' energy: -61.556 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -16.653 tors. eta vs tors. theta energy: -9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -344.982605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.982605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.982605 (E_RNA) where: Base-Base interactions energy: -130.734 where: short stacking energy: -102.662 Base-Backbone interact. energy: 0.382 local terms energy: -214.630665 where: bonds (distance) C4'-P energy: -73.873 bonds (distance) P-C4' energy: -77.212 flat angles C4'-P-C4' energy: -59.718 flat angles P-C4'-P energy: -26.326 tors. eta vs tors. theta energy: 22.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1281.145029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.145029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.145029 (E_RNA) where: Base-Base interactions energy: -871.343 where: short stacking energy: -401.515 Base-Backbone interact. energy: 1.264 local terms energy: -411.066053 where: bonds (distance) C4'-P energy: -75.398 bonds (distance) P-C4' energy: -86.647 flat angles C4'-P-C4' energy: -87.515 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -113.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1203.508812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.508812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.508812 (E_RNA) where: Base-Base interactions energy: -791.956 where: short stacking energy: -325.836 Base-Backbone interact. energy: -2.922 local terms energy: -408.630902 where: bonds (distance) C4'-P energy: -82.016 bonds (distance) P-C4' energy: -89.031 flat angles C4'-P-C4' energy: -86.971 flat angles P-C4'-P energy: -61.339 tors. eta vs tors. theta energy: -89.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1157.724228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.724228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.724228 (E_RNA) where: Base-Base interactions energy: -755.750 where: short stacking energy: -352.211 Base-Backbone interact. energy: -3.126 local terms energy: -398.848634 where: bonds (distance) C4'-P energy: -77.753 bonds (distance) P-C4' energy: -80.586 flat angles C4'-P-C4' energy: -82.282 flat angles P-C4'-P energy: -51.242 tors. eta vs tors. theta energy: -106.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -983.685468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.685468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.685468 (E_RNA) where: Base-Base interactions energy: -629.931 where: short stacking energy: -288.092 Base-Backbone interact. energy: -0.118 local terms energy: -353.636176 where: bonds (distance) C4'-P energy: -72.273 bonds (distance) P-C4' energy: -76.896 flat angles C4'-P-C4' energy: -80.144 flat angles P-C4'-P energy: -48.048 tors. eta vs tors. theta energy: -76.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -862.185793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.185793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.185793 (E_RNA) where: Base-Base interactions energy: -524.193 where: short stacking energy: -241.317 Base-Backbone interact. energy: 0.079 local terms energy: -338.071147 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -76.056 flat angles C4'-P-C4' energy: -72.134 flat angles P-C4'-P energy: -49.787 tors. eta vs tors. theta energy: -66.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -839.914388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.914388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.914388 (E_RNA) where: Base-Base interactions energy: -513.947 where: short stacking energy: -231.665 Base-Backbone interact. energy: -1.189 local terms energy: -324.778588 where: bonds (distance) C4'-P energy: -68.064 bonds (distance) P-C4' energy: -80.552 flat angles C4'-P-C4' energy: -80.841 flat angles P-C4'-P energy: -34.316 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: 7, replica: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -634.058258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.058258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.058258 (E_RNA) where: Base-Base interactions energy: -326.112 where: short stacking energy: -167.563 Base-Backbone interact. energy: -1.781 local terms energy: -306.165796 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -73.137 flat angles C4'-P-C4' energy: -77.325 flat angles P-C4'-P energy: -43.130 tors. eta vs tors. theta energy: -35.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -474.248761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.248761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.248761 (E_RNA) where: Base-Base interactions energy: -218.309 where: short stacking energy: -125.064 Base-Backbone interact. energy: -2.024 local terms energy: -253.915482 where: bonds (distance) C4'-P energy: -60.276 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -73.675 flat angles P-C4'-P energy: -38.015 tors. eta vs tors. theta energy: -10.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -399.379853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.379853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.379853 (E_RNA) where: Base-Base interactions energy: -192.458 where: short stacking energy: -114.963 Base-Backbone interact. energy: -0.197 local terms energy: -206.724354 where: bonds (distance) C4'-P energy: -69.694 bonds (distance) P-C4' energy: -80.506 flat angles C4'-P-C4' energy: -37.407 flat angles P-C4'-P energy: -16.220 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -355.528933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.528933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.528933 (E_RNA) where: Base-Base interactions energy: -123.665 where: short stacking energy: -87.190 Base-Backbone interact. energy: -1.117 local terms energy: -230.747433 where: bonds (distance) C4'-P energy: -68.171 bonds (distance) P-C4' energy: -68.250 flat angles C4'-P-C4' energy: -61.126 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: 11.073 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: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1274.096378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.096378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.096378 (E_RNA) where: Base-Base interactions energy: -861.108 where: short stacking energy: -384.051 Base-Backbone interact. energy: 0.444 local terms energy: -413.432663 where: bonds (distance) C4'-P energy: -77.614 bonds (distance) P-C4' energy: -76.300 flat angles C4'-P-C4' energy: -89.077 flat angles P-C4'-P energy: -63.381 tors. eta vs tors. theta energy: -107.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1193.933137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.933137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.933137 (E_RNA) where: Base-Base interactions energy: -814.357 where: short stacking energy: -336.589 Base-Backbone interact. energy: -3.084 local terms energy: -376.492710 where: bonds (distance) C4'-P energy: -75.659 bonds (distance) P-C4' energy: -82.416 flat angles C4'-P-C4' energy: -86.288 flat angles P-C4'-P energy: -42.419 tors. eta vs tors. theta energy: -89.711 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: 3, replica: 5 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1147.895807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.895807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.895807 (E_RNA) where: Base-Base interactions energy: -737.883 where: short stacking energy: -333.928 Base-Backbone interact. energy: -2.599 local terms energy: -407.413452 where: bonds (distance) C4'-P energy: -76.894 bonds (distance) P-C4' energy: -76.699 flat angles C4'-P-C4' energy: -86.162 flat angles P-C4'-P energy: -58.381 tors. eta vs tors. theta energy: -109.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -968.176808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.176808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.176808 (E_RNA) where: Base-Base interactions energy: -638.126 where: short stacking energy: -273.217 Base-Backbone interact. energy: -2.832 local terms energy: -327.219537 where: bonds (distance) C4'-P energy: -56.473 bonds (distance) P-C4' energy: -80.615 flat angles C4'-P-C4' energy: -71.172 flat angles P-C4'-P energy: -43.731 tors. eta vs tors. theta energy: -75.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -842.964997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.964997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.964997 (E_RNA) where: Base-Base interactions energy: -509.541 where: short stacking energy: -231.096 Base-Backbone interact. energy: -0.584 local terms energy: -332.839581 where: bonds (distance) C4'-P energy: -74.908 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -75.237 flat angles P-C4'-P energy: -35.912 tors. eta vs tors. theta energy: -71.389 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: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -784.105127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.105127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.105127 (E_RNA) where: Base-Base interactions energy: -477.288 where: short stacking energy: -225.869 Base-Backbone interact. energy: -2.055 local terms energy: -304.761821 where: bonds (distance) C4'-P energy: -69.027 bonds (distance) P-C4' energy: -62.038 flat angles C4'-P-C4' energy: -78.673 flat angles P-C4'-P energy: -44.005 tors. eta vs tors. theta energy: -51.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -626.858447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.858447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.858447 (E_RNA) where: Base-Base interactions energy: -338.937 where: short stacking energy: -175.247 Base-Backbone interact. energy: 1.766 local terms energy: -289.687688 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -80.820 flat angles C4'-P-C4' energy: -77.127 flat angles P-C4'-P energy: -42.493 tors. eta vs tors. theta energy: -21.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -431.708112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.708112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.708112 (E_RNA) where: Base-Base interactions energy: -223.342 where: short stacking energy: -125.912 Base-Backbone interact. energy: -1.181 local terms energy: -207.185158 where: bonds (distance) C4'-P energy: -60.440 bonds (distance) P-C4' energy: -71.279 flat angles C4'-P-C4' energy: -41.872 flat angles P-C4'-P energy: -37.039 tors. eta vs tors. theta energy: 3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -421.919184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.919184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.919184 (E_RNA) where: Base-Base interactions energy: -188.717 where: short stacking energy: -119.813 Base-Backbone interact. energy: 0.385 local terms energy: -233.587050 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -73.885 flat angles C4'-P-C4' energy: -58.578 flat angles P-C4'-P energy: -37.920 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -330.107345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.107345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.107345 (E_RNA) where: Base-Base interactions energy: -92.229 where: short stacking energy: -81.171 Base-Backbone interact. energy: 0.367 local terms energy: -238.245450 where: bonds (distance) C4'-P energy: -85.411 bonds (distance) P-C4' energy: -74.848 flat angles C4'-P-C4' energy: -68.574 flat angles P-C4'-P energy: -28.862 tors. eta vs tors. theta energy: 19.449 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: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1297.645770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.645770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.645770 (E_RNA) where: Base-Base interactions energy: -882.615 where: short stacking energy: -388.881 Base-Backbone interact. energy: -1.691 local terms energy: -413.339782 where: bonds (distance) C4'-P energy: -65.720 bonds (distance) P-C4' energy: -90.344 flat angles C4'-P-C4' energy: -81.209 flat angles P-C4'-P energy: -63.650 tors. eta vs tors. theta energy: -112.416 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: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1199.921848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.921848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.921848 (E_RNA) where: Base-Base interactions energy: -797.306 where: short stacking energy: -356.074 Base-Backbone interact. energy: -1.190 local terms energy: -401.425930 where: bonds (distance) C4'-P energy: -79.676 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -80.125 flat angles P-C4'-P energy: -59.560 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: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1134.649620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.649620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.649620 (E_RNA) where: Base-Base interactions energy: -787.782 where: short stacking energy: -310.688 Base-Backbone interact. energy: -2.304 local terms energy: -344.563238 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -64.862 flat angles C4'-P-C4' energy: -81.595 flat angles P-C4'-P energy: -51.510 tors. eta vs tors. theta energy: -73.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -993.069974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.069974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.069974 (E_RNA) where: Base-Base interactions energy: -633.709 where: short stacking energy: -294.311 Base-Backbone interact. energy: -1.924 local terms energy: -357.437002 where: bonds (distance) C4'-P energy: -74.496 bonds (distance) P-C4' energy: -70.616 flat angles C4'-P-C4' energy: -87.066 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: -75.644 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: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -868.090422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.090422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.090422 (E_RNA) where: Base-Base interactions energy: -562.774 where: short stacking energy: -240.046 Base-Backbone interact. energy: -1.339 local terms energy: -303.976680 where: bonds (distance) C4'-P energy: -71.197 bonds (distance) P-C4' energy: -76.942 flat angles C4'-P-C4' energy: -54.386 flat angles P-C4'-P energy: -45.322 tors. eta vs tors. theta energy: -56.130 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: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -828.471621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.471621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.471621 (E_RNA) where: Base-Base interactions energy: -537.551 where: short stacking energy: -235.236 Base-Backbone interact. energy: 4.591 local terms energy: -295.511720 where: bonds (distance) C4'-P energy: -62.568 bonds (distance) P-C4' energy: -53.109 flat angles C4'-P-C4' energy: -66.440 flat angles P-C4'-P energy: -60.878 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: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -690.476014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.476014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.476014 (E_RNA) where: Base-Base interactions energy: -410.990 where: short stacking energy: -203.711 Base-Backbone interact. energy: 1.500 local terms energy: -280.985951 where: bonds (distance) C4'-P energy: -58.768 bonds (distance) P-C4' energy: -72.610 flat angles C4'-P-C4' energy: -74.032 flat angles P-C4'-P energy: -37.817 tors. eta vs tors. theta energy: -37.759 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: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -500.119586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.119586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.119586 (E_RNA) where: Base-Base interactions energy: -229.012 where: short stacking energy: -119.181 Base-Backbone interact. energy: 0.132 local terms energy: -271.239837 where: bonds (distance) C4'-P energy: -69.596 bonds (distance) P-C4' energy: -71.112 flat angles C4'-P-C4' energy: -71.755 flat angles P-C4'-P energy: -49.878 tors. eta vs tors. theta energy: -8.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -462.276348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.276348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.276348 (E_RNA) where: Base-Base interactions energy: -230.337 where: short stacking energy: -129.069 Base-Backbone interact. energy: -1.174 local terms energy: -230.765137 where: bonds (distance) C4'-P energy: -59.894 bonds (distance) P-C4' energy: -66.318 flat angles C4'-P-C4' energy: -49.905 flat angles P-C4'-P energy: -42.317 tors. eta vs tors. theta energy: -12.331 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: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -311.009624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.009624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.009624 (E_RNA) where: Base-Base interactions energy: -104.185 where: short stacking energy: -77.519 Base-Backbone interact. energy: 2.978 local terms energy: -209.802284 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -62.535 flat angles C4'-P-C4' energy: -51.932 flat angles P-C4'-P energy: -43.098 tors. eta vs tors. theta energy: 11.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1268.458937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.458937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.458937 (E_RNA) where: Base-Base interactions energy: -857.344 where: short stacking energy: -380.440 Base-Backbone interact. energy: -0.190 local terms energy: -410.924557 where: bonds (distance) C4'-P energy: -75.307 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -89.034 flat angles P-C4'-P energy: -59.049 tors. eta vs tors. theta energy: -112.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1210.661908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.661908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.661908 (E_RNA) where: Base-Base interactions energy: -812.947 where: short stacking energy: -359.158 Base-Backbone interact. energy: -0.747 local terms energy: -396.967622 where: bonds (distance) C4'-P energy: -73.494 bonds (distance) P-C4' energy: -80.919 flat angles C4'-P-C4' energy: -93.189 flat angles P-C4'-P energy: -43.337 tors. eta vs tors. theta energy: -106.028 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: 3, replica: 3 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1158.874032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.874032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.874032 (E_RNA) where: Base-Base interactions energy: -813.856 where: short stacking energy: -310.394 Base-Backbone interact. energy: -4.592 local terms energy: -340.426356 where: bonds (distance) C4'-P energy: -73.582 bonds (distance) P-C4' energy: -74.507 flat angles C4'-P-C4' energy: -76.606 flat angles P-C4'-P energy: -43.337 tors. eta vs tors. theta energy: -72.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1001.672309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.672309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.672309 (E_RNA) where: Base-Base interactions energy: -639.267 where: short stacking energy: -300.031 Base-Backbone interact. energy: -2.685 local terms energy: -359.719487 where: bonds (distance) C4'-P energy: -70.716 bonds (distance) P-C4' energy: -72.491 flat angles C4'-P-C4' energy: -80.855 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -92.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -880.540924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.540924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.540924 (E_RNA) where: Base-Base interactions energy: -537.591 where: short stacking energy: -244.614 Base-Backbone interact. energy: -1.427 local terms energy: -341.522441 where: bonds (distance) C4'-P energy: -75.374 bonds (distance) P-C4' energy: -70.442 flat angles C4'-P-C4' energy: -71.077 flat angles P-C4'-P energy: -59.808 tors. eta vs tors. theta energy: -64.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -848.833396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.833396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.833396 (E_RNA) where: Base-Base interactions energy: -568.068 where: short stacking energy: -235.654 Base-Backbone interact. energy: -1.067 local terms energy: -279.698860 where: bonds (distance) C4'-P energy: -58.503 bonds (distance) P-C4' energy: -61.364 flat angles C4'-P-C4' energy: -69.994 flat angles P-C4'-P energy: -52.888 tors. eta vs tors. theta energy: -36.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -642.515430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.515430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.515430 (E_RNA) where: Base-Base interactions energy: -365.704 where: short stacking energy: -178.948 Base-Backbone interact. energy: -0.616 local terms energy: -276.194821 where: bonds (distance) C4'-P energy: -50.155 bonds (distance) P-C4' energy: -80.384 flat angles C4'-P-C4' energy: -71.402 flat angles P-C4'-P energy: -50.501 tors. eta vs tors. theta energy: -23.754 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: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -438.435911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.435911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.435911 (E_RNA) where: Base-Base interactions energy: -222.222 where: short stacking energy: -136.413 Base-Backbone interact. energy: -1.448 local terms energy: -214.766254 where: bonds (distance) C4'-P energy: -62.485 bonds (distance) P-C4' energy: -68.229 flat angles C4'-P-C4' energy: -52.418 flat angles P-C4'-P energy: -32.996 tors. eta vs tors. theta energy: 1.361 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: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -477.670873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.670873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.670873 (E_RNA) where: Base-Base interactions energy: -235.064 where: short stacking energy: -108.022 Base-Backbone interact. energy: -0.928 local terms energy: -241.679287 where: bonds (distance) C4'-P energy: -59.647 bonds (distance) P-C4' energy: -56.895 flat angles C4'-P-C4' energy: -63.649 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -308.139480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.139480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.139480 (E_RNA) where: Base-Base interactions energy: -107.603 where: short stacking energy: -84.032 Base-Backbone interact. energy: -2.325 local terms energy: -198.211252 where: bonds (distance) C4'-P energy: -62.508 bonds (distance) P-C4' energy: -57.144 flat angles C4'-P-C4' energy: -51.786 flat angles P-C4'-P energy: -31.638 tors. eta vs tors. theta energy: 4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1258.699548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.699548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.699548 (E_RNA) where: Base-Base interactions energy: -854.386 where: short stacking energy: -367.807 Base-Backbone interact. energy: 2.029 local terms energy: -406.342496 where: bonds (distance) C4'-P energy: -83.079 bonds (distance) P-C4' energy: -73.673 flat angles C4'-P-C4' energy: -83.573 flat angles P-C4'-P energy: -62.758 tors. eta vs tors. theta energy: -103.260 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: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1216.720668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.720668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.720668 (E_RNA) where: Base-Base interactions energy: -822.156 where: short stacking energy: -362.616 Base-Backbone interact. energy: -2.603 local terms energy: -391.961625 where: bonds (distance) C4'-P energy: -73.509 bonds (distance) P-C4' energy: -73.860 flat angles C4'-P-C4' energy: -81.639 flat angles P-C4'-P energy: -56.258 tors. eta vs tors. theta energy: -106.695 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: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1144.337341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.337341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.337341 (E_RNA) where: Base-Base interactions energy: -778.154 where: short stacking energy: -320.784 Base-Backbone interact. energy: -2.609 local terms energy: -363.573821 where: bonds (distance) C4'-P energy: -74.541 bonds (distance) P-C4' energy: -73.457 flat angles C4'-P-C4' energy: -74.260 flat angles P-C4'-P energy: -56.197 tors. eta vs tors. theta energy: -85.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1035.392153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.392153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.392153 (E_RNA) where: Base-Base interactions energy: -662.159 where: short stacking energy: -290.798 Base-Backbone interact. energy: -0.963 local terms energy: -372.269859 where: bonds (distance) C4'-P energy: -77.442 bonds (distance) P-C4' energy: -76.851 flat angles C4'-P-C4' energy: -77.625 flat angles P-C4'-P energy: -53.483 tors. eta vs tors. theta energy: -86.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -852.861303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.861303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.861303 (E_RNA) where: Base-Base interactions energy: -503.617 where: short stacking energy: -245.116 Base-Backbone interact. energy: -2.472 local terms energy: -346.771613 where: bonds (distance) C4'-P energy: -76.860 bonds (distance) P-C4' energy: -69.826 flat angles C4'-P-C4' energy: -75.694 flat angles P-C4'-P energy: -61.276 tors. eta vs tors. theta energy: -63.116 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: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -899.799913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.799913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.799913 (E_RNA) where: Base-Base interactions energy: -600.108 where: short stacking energy: -255.746 Base-Backbone interact. energy: 1.206 local terms energy: -300.898030 where: bonds (distance) C4'-P energy: -67.954 bonds (distance) P-C4' energy: -63.705 flat angles C4'-P-C4' energy: -55.003 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: -67.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -640.798246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.798246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.798246 (E_RNA) where: Base-Base interactions energy: -386.682 where: short stacking energy: -164.317 Base-Backbone interact. energy: -2.398 local terms energy: -251.717926 where: bonds (distance) C4'-P energy: -69.300 bonds (distance) P-C4' energy: -65.518 flat angles C4'-P-C4' energy: -68.212 flat angles P-C4'-P energy: -37.860 tors. eta vs tors. theta energy: -10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -517.506726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.506726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.506726 (E_RNA) where: Base-Base interactions energy: -281.349 where: short stacking energy: -143.009 Base-Backbone interact. energy: -2.886 local terms energy: -233.271220 where: bonds (distance) C4'-P energy: -72.823 bonds (distance) P-C4' energy: -65.196 flat angles C4'-P-C4' energy: -62.758 flat angles P-C4'-P energy: -36.712 tors. eta vs tors. theta energy: 4.217 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: 85 Temperature: 1.300000 Total energy: -406.147740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.147740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.147740 (E_RNA) where: Base-Base interactions energy: -180.739 where: short stacking energy: -101.840 Base-Backbone interact. energy: -1.378 local terms energy: -224.031366 where: bonds (distance) C4'-P energy: -72.738 bonds (distance) P-C4' energy: -72.292 flat angles C4'-P-C4' energy: -49.604 flat angles P-C4'-P energy: -42.412 tors. eta vs tors. theta energy: 13.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -319.705075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.705075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.705075 (E_RNA) where: Base-Base interactions energy: -113.128 where: short stacking energy: -97.749 Base-Backbone interact. energy: -1.039 local terms energy: -205.537794 where: bonds (distance) C4'-P energy: -64.415 bonds (distance) P-C4' energy: -63.537 flat angles C4'-P-C4' energy: -49.046 flat angles P-C4'-P energy: -27.620 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1303.263379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.263379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.263379 (E_RNA) where: Base-Base interactions energy: -883.564 where: short stacking energy: -357.698 Base-Backbone interact. energy: -1.422 local terms energy: -418.277160 where: bonds (distance) C4'-P energy: -74.443 bonds (distance) P-C4' energy: -85.279 flat angles C4'-P-C4' energy: -91.469 flat angles P-C4'-P energy: -59.098 tors. eta vs tors. theta energy: -107.989 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: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1213.810403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.810403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.810403 (E_RNA) where: Base-Base interactions energy: -809.610 where: short stacking energy: -344.841 Base-Backbone interact. energy: -1.370 local terms energy: -402.830559 where: bonds (distance) C4'-P energy: -85.914 bonds (distance) P-C4' energy: -73.512 flat angles C4'-P-C4' energy: -75.809 flat angles P-C4'-P energy: -57.748 tors. eta vs tors. theta energy: -109.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1165.684489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.684489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.684489 (E_RNA) where: Base-Base interactions energy: -789.237 where: short stacking energy: -328.733 Base-Backbone interact. energy: -1.819 local terms energy: -374.629186 where: bonds (distance) C4'-P energy: -78.813 bonds (distance) P-C4' energy: -67.668 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -60.112 tors. eta vs tors. theta energy: -92.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1035.758151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.758151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.758151 (E_RNA) where: Base-Base interactions energy: -681.971 where: short stacking energy: -298.290 Base-Backbone interact. energy: -1.754 local terms energy: -352.033006 where: bonds (distance) C4'-P energy: -76.231 bonds (distance) P-C4' energy: -63.655 flat angles C4'-P-C4' energy: -78.231 flat angles P-C4'-P energy: -48.930 tors. eta vs tors. theta energy: -84.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -951.116338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.116338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.116338 (E_RNA) where: Base-Base interactions energy: -623.207 where: short stacking energy: -259.697 Base-Backbone interact. energy: -1.159 local terms energy: -326.750181 where: bonds (distance) C4'-P energy: -64.910 bonds (distance) P-C4' energy: -81.631 flat angles C4'-P-C4' energy: -62.407 flat angles P-C4'-P energy: -55.554 tors. eta vs tors. theta energy: -62.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -834.156605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.156605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.156605 (E_RNA) where: Base-Base interactions energy: -531.193 where: short stacking energy: -227.119 Base-Backbone interact. energy: -2.552 local terms energy: -300.411706 where: bonds (distance) C4'-P energy: -59.552 bonds (distance) P-C4' energy: -56.439 flat angles C4'-P-C4' energy: -70.350 flat angles P-C4'-P energy: -47.776 tors. eta vs tors. theta energy: -66.295 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: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -676.531773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.531773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.531773 (E_RNA) where: Base-Base interactions energy: -383.462 where: short stacking energy: -180.607 Base-Backbone interact. energy: -0.416 local terms energy: -292.653422 where: bonds (distance) C4'-P energy: -72.701 bonds (distance) P-C4' energy: -66.207 flat angles C4'-P-C4' energy: -75.228 flat angles P-C4'-P energy: -50.840 tors. eta vs tors. theta energy: -27.677 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: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -544.014272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.014272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.014272 (E_RNA) where: Base-Base interactions energy: -302.254 where: short stacking energy: -133.595 Base-Backbone interact. energy: 0.672 local terms energy: -242.432251 where: bonds (distance) C4'-P energy: -64.339 bonds (distance) P-C4' energy: -68.535 flat angles C4'-P-C4' energy: -68.811 flat angles P-C4'-P energy: -38.353 tors. eta vs tors. theta energy: -2.395 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: 86 Temperature: 1.300000 Total energy: -377.590705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.590705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.590705 (E_RNA) where: Base-Base interactions energy: -139.405 where: short stacking energy: -105.745 Base-Backbone interact. energy: -1.230 local terms energy: -236.956224 where: bonds (distance) C4'-P energy: -62.364 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -69.809 flat angles P-C4'-P energy: -39.178 tors. eta vs tors. theta energy: -1.407 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: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -412.295424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.295424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.295424 (E_RNA) where: Base-Base interactions energy: -180.627 where: short stacking energy: -101.273 Base-Backbone interact. energy: -0.365 local terms energy: -231.302784 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -66.040 flat angles C4'-P-C4' energy: -72.823 flat angles P-C4'-P energy: -25.614 tors. eta vs tors. theta energy: -1.488 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: 6 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1273.569096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.569096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.569096 (E_RNA) where: Base-Base interactions energy: -857.725 where: short stacking energy: -346.108 Base-Backbone interact. energy: 0.815 local terms energy: -416.659083 where: bonds (distance) C4'-P energy: -72.715 bonds (distance) P-C4' energy: -78.787 flat angles C4'-P-C4' energy: -93.602 flat angles P-C4'-P energy: -64.532 tors. eta vs tors. theta energy: -107.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1216.435007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.435007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.435007 (E_RNA) where: Base-Base interactions energy: -814.464 where: short stacking energy: -353.263 Base-Backbone interact. energy: -1.623 local terms energy: -400.347191 where: bonds (distance) C4'-P energy: -76.269 bonds (distance) P-C4' energy: -71.839 flat angles C4'-P-C4' energy: -96.506 flat angles P-C4'-P energy: -52.642 tors. eta vs tors. theta energy: -103.091 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: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1170.404659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.404659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.404659 (E_RNA) where: Base-Base interactions energy: -796.019 where: short stacking energy: -340.097 Base-Backbone interact. energy: -0.727 local terms energy: -373.658229 where: bonds (distance) C4'-P energy: -69.587 bonds (distance) P-C4' energy: -72.493 flat angles C4'-P-C4' energy: -81.773 flat angles P-C4'-P energy: -51.917 tors. eta vs tors. theta energy: -97.889 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: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1076.731913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.731913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.731913 (E_RNA) where: Base-Base interactions energy: -714.509 where: short stacking energy: -307.133 Base-Backbone interact. energy: -1.047 local terms energy: -361.175019 where: bonds (distance) C4'-P energy: -71.023 bonds (distance) P-C4' energy: -72.385 flat angles C4'-P-C4' energy: -80.016 flat angles P-C4'-P energy: -51.988 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: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -961.338811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.338811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.338811 (E_RNA) where: Base-Base interactions energy: -619.045 where: short stacking energy: -286.750 Base-Backbone interact. energy: -2.973 local terms energy: -339.320943 where: bonds (distance) C4'-P energy: -68.845 bonds (distance) P-C4' energy: -75.693 flat angles C4'-P-C4' energy: -73.485 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -70.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -788.511295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.511295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.511295 (E_RNA) where: Base-Base interactions energy: -464.171 where: short stacking energy: -236.021 Base-Backbone interact. energy: -2.460 local terms energy: -321.880259 where: bonds (distance) C4'-P energy: -82.665 bonds (distance) P-C4' energy: -73.142 flat angles C4'-P-C4' energy: -72.481 flat angles P-C4'-P energy: -39.850 tors. eta vs tors. theta energy: -53.741 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: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -587.593747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.593747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.593747 (E_RNA) where: Base-Base interactions energy: -331.624 where: short stacking energy: -175.284 Base-Backbone interact. energy: -1.057 local terms energy: -254.912312 where: bonds (distance) C4'-P energy: -74.600 bonds (distance) P-C4' energy: -69.716 flat angles C4'-P-C4' energy: -66.762 flat angles P-C4'-P energy: -32.609 tors. eta vs tors. theta energy: -11.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -527.917385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.917385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.917385 (E_RNA) where: Base-Base interactions energy: -258.634 where: short stacking energy: -152.496 Base-Backbone interact. energy: -0.948 local terms energy: -268.335478 where: bonds (distance) C4'-P energy: -72.629 bonds (distance) P-C4' energy: -76.233 flat angles C4'-P-C4' energy: -58.476 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: -15.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -405.486144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.486144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.486144 (E_RNA) where: Base-Base interactions energy: -190.158 where: short stacking energy: -121.549 Base-Backbone interact. energy: 2.398 local terms energy: -217.725584 where: bonds (distance) C4'-P energy: -43.150 bonds (distance) P-C4' energy: -65.068 flat angles C4'-P-C4' energy: -63.511 flat angles P-C4'-P energy: -35.323 tors. eta vs tors. theta energy: -10.675 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: 87 Temperature: 1.350000 Total energy: -396.538068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.538068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.538068 (E_RNA) where: Base-Base interactions energy: -162.988 where: short stacking energy: -87.566 Base-Backbone interact. energy: -0.521 local terms energy: -233.028728 where: bonds (distance) C4'-P energy: -67.007 bonds (distance) P-C4' energy: -71.458 flat angles C4'-P-C4' energy: -57.990 flat angles P-C4'-P energy: -39.998 tors. eta vs tors. theta energy: 3.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1260.073397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.073397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.073397 (E_RNA) where: Base-Base interactions energy: -833.377 where: short stacking energy: -388.376 Base-Backbone interact. energy: -2.923 local terms energy: -423.773754 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -78.329 flat angles C4'-P-C4' energy: -94.638 flat angles P-C4'-P energy: -60.798 tors. eta vs tors. theta energy: -105.203 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: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1250.298690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.298690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.298690 (E_RNA) where: Base-Base interactions energy: -836.458 where: short stacking energy: -355.492 Base-Backbone interact. energy: -1.242 local terms energy: -412.598366 where: bonds (distance) C4'-P energy: -73.887 bonds (distance) P-C4' energy: -83.797 flat angles C4'-P-C4' energy: -92.161 flat angles P-C4'-P energy: -53.104 tors. eta vs tors. theta energy: -109.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1168.239750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.239750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.239750 (E_RNA) where: Base-Base interactions energy: -780.430 where: short stacking energy: -344.266 Base-Backbone interact. energy: -3.407 local terms energy: -384.402734 where: bonds (distance) C4'-P energy: -74.903 bonds (distance) P-C4' energy: -79.582 flat angles C4'-P-C4' energy: -85.680 flat angles P-C4'-P energy: -47.233 tors. eta vs tors. theta energy: -97.006 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: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1031.559576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.559576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.559576 (E_RNA) where: Base-Base interactions energy: -682.157 where: short stacking energy: -297.210 Base-Backbone interact. energy: 0.887 local terms energy: -350.289502 where: bonds (distance) C4'-P energy: -75.019 bonds (distance) P-C4' energy: -67.738 flat angles C4'-P-C4' energy: -74.587 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -89.661 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: 5, replica: 8 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -965.552321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.552321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.552321 (E_RNA) where: Base-Base interactions energy: -626.031 where: short stacking energy: -279.867 Base-Backbone interact. energy: -1.235 local terms energy: -338.285893 where: bonds (distance) C4'-P energy: -65.788 bonds (distance) P-C4' energy: -64.021 flat angles C4'-P-C4' energy: -79.346 flat angles P-C4'-P energy: -62.229 tors. eta vs tors. theta energy: -66.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -800.793671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.793671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.793671 (E_RNA) where: Base-Base interactions energy: -469.987 where: short stacking energy: -232.636 Base-Backbone interact. energy: 1.104 local terms energy: -331.910666 where: bonds (distance) C4'-P energy: -66.674 bonds (distance) P-C4' energy: -69.638 flat angles C4'-P-C4' energy: -79.476 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: -59.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -585.068253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.068253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.068253 (E_RNA) where: Base-Base interactions energy: -321.958 where: short stacking energy: -157.327 Base-Backbone interact. energy: 0.486 local terms energy: -263.596533 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -79.758 flat angles C4'-P-C4' energy: -69.209 flat angles P-C4'-P energy: -37.859 tors. eta vs tors. theta energy: -11.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -492.536783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.536783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.536783 (E_RNA) where: Base-Base interactions energy: -266.279 where: short stacking energy: -134.463 Base-Backbone interact. energy: -3.346 local terms energy: -222.912280 where: bonds (distance) C4'-P energy: -70.703 bonds (distance) P-C4' energy: -67.277 flat angles C4'-P-C4' energy: -46.267 flat angles P-C4'-P energy: -30.769 tors. eta vs tors. theta energy: -7.896 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: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -430.547561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.547561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.547561 (E_RNA) where: Base-Base interactions energy: -217.639 where: short stacking energy: -140.322 Base-Backbone interact. energy: 2.666 local terms energy: -215.574547 where: bonds (distance) C4'-P energy: -54.333 bonds (distance) P-C4' energy: -64.979 flat angles C4'-P-C4' energy: -64.643 flat angles P-C4'-P energy: -36.353 tors. eta vs tors. theta energy: 4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -391.067936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.067936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.067936 (E_RNA) where: Base-Base interactions energy: -168.997 where: short stacking energy: -105.713 Base-Backbone interact. energy: -1.032 local terms energy: -221.039415 where: bonds (distance) C4'-P energy: -66.117 bonds (distance) P-C4' energy: -72.609 flat angles C4'-P-C4' energy: -52.222 flat angles P-C4'-P energy: -25.031 tors. eta vs tors. theta energy: -5.060 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: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1283.128954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.128954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.128954 (E_RNA) where: Base-Base interactions energy: -855.604 where: short stacking energy: -398.735 Base-Backbone interact. energy: -0.484 local terms energy: -427.041249 where: bonds (distance) C4'-P energy: -73.628 bonds (distance) P-C4' energy: -75.122 flat angles C4'-P-C4' energy: -92.529 flat angles P-C4'-P energy: -62.642 tors. eta vs tors. theta energy: -123.121 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: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1245.377903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.377903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.377903 (E_RNA) where: Base-Base interactions energy: -842.221 where: short stacking energy: -358.136 Base-Backbone interact. energy: -1.296 local terms energy: -401.861029 where: bonds (distance) C4'-P energy: -72.492 bonds (distance) P-C4' energy: -70.168 flat angles C4'-P-C4' energy: -92.664 flat angles P-C4'-P energy: -57.170 tors. eta vs tors. theta energy: -109.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1170.598868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.598868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.598868 (E_RNA) where: Base-Base interactions energy: -772.995 where: short stacking energy: -329.006 Base-Backbone interact. energy: -1.853 local terms energy: -395.751538 where: bonds (distance) C4'-P energy: -84.669 bonds (distance) P-C4' energy: -76.487 flat angles C4'-P-C4' energy: -83.543 flat angles P-C4'-P energy: -53.987 tors. eta vs tors. theta energy: -97.066 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: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1033.492341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.492341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.492341 (E_RNA) where: Base-Base interactions energy: -657.515 where: short stacking energy: -291.701 Base-Backbone interact. energy: -0.188 local terms energy: -375.789241 where: bonds (distance) C4'-P energy: -71.486 bonds (distance) P-C4' energy: -73.619 flat angles C4'-P-C4' energy: -85.760 flat angles P-C4'-P energy: -54.604 tors. eta vs tors. theta energy: -90.320 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: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -929.413047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.413047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.413047 (E_RNA) where: Base-Base interactions energy: -584.433 where: short stacking energy: -254.548 Base-Backbone interact. energy: -2.224 local terms energy: -342.755499 where: bonds (distance) C4'-P energy: -71.814 bonds (distance) P-C4' energy: -86.252 flat angles C4'-P-C4' energy: -73.400 flat angles P-C4'-P energy: -50.882 tors. eta vs tors. theta energy: -60.407 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: 89 Temperature: 1.150000 Total energy: -812.969127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.969127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.969127 (E_RNA) where: Base-Base interactions energy: -489.551 where: short stacking energy: -226.595 Base-Backbone interact. energy: -0.748 local terms energy: -322.669808 where: bonds (distance) C4'-P energy: -68.167 bonds (distance) P-C4' energy: -73.564 flat angles C4'-P-C4' energy: -84.221 flat angles P-C4'-P energy: -36.955 tors. eta vs tors. theta energy: -59.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -551.913722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.913722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.913722 (E_RNA) where: Base-Base interactions energy: -273.876 where: short stacking energy: -150.622 Base-Backbone interact. energy: -3.551 local terms energy: -274.486790 where: bonds (distance) C4'-P energy: -79.315 bonds (distance) P-C4' energy: -74.188 flat angles C4'-P-C4' energy: -58.119 flat angles P-C4'-P energy: -55.395 tors. eta vs tors. theta energy: -7.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -538.511496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.511496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.511496 (E_RNA) where: Base-Base interactions energy: -297.759 where: short stacking energy: -144.149 Base-Backbone interact. energy: -2.387 local terms energy: -238.365216 where: bonds (distance) C4'-P energy: -61.380 bonds (distance) P-C4' energy: -54.941 flat angles C4'-P-C4' energy: -66.870 flat angles P-C4'-P energy: -33.380 tors. eta vs tors. theta energy: -21.794 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: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -425.262563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.262563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.262563 (E_RNA) where: Base-Base interactions energy: -172.179 where: short stacking energy: -77.452 Base-Backbone interact. energy: 1.906 local terms energy: -254.989477 where: bonds (distance) C4'-P energy: -76.984 bonds (distance) P-C4' energy: -73.263 flat angles C4'-P-C4' energy: -49.306 flat angles P-C4'-P energy: -49.439 tors. eta vs tors. theta energy: -5.998 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: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -409.749173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.749173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.749173 (E_RNA) where: Base-Base interactions energy: -184.340 where: short stacking energy: -107.100 Base-Backbone interact. energy: -2.015 local terms energy: -223.395062 where: bonds (distance) C4'-P energy: -69.378 bonds (distance) P-C4' energy: -68.135 flat angles C4'-P-C4' energy: -60.407 flat angles P-C4'-P energy: -33.772 tors. eta vs tors. theta energy: 8.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1265.977519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.977519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.977519 (E_RNA) where: Base-Base interactions energy: -834.507 where: short stacking energy: -399.223 Base-Backbone interact. energy: 5.677 local terms energy: -437.147174 where: bonds (distance) C4'-P energy: -84.182 bonds (distance) P-C4' energy: -82.254 flat angles C4'-P-C4' energy: -90.011 flat angles P-C4'-P energy: -59.184 tors. eta vs tors. theta energy: -121.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1249.414785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.414785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.414785 (E_RNA) where: Base-Base interactions energy: -852.153 where: short stacking energy: -346.325 Base-Backbone interact. energy: -3.072 local terms energy: -394.189530 where: bonds (distance) C4'-P energy: -82.465 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -85.612 flat angles P-C4'-P energy: -60.402 tors. eta vs tors. theta energy: -103.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1173.296738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.296738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.296738 (E_RNA) where: Base-Base interactions energy: -777.496 where: short stacking energy: -324.296 Base-Backbone interact. energy: -2.742 local terms energy: -393.059152 where: bonds (distance) C4'-P energy: -81.550 bonds (distance) P-C4' energy: -73.450 flat angles C4'-P-C4' energy: -90.531 flat angles P-C4'-P energy: -54.182 tors. eta vs tors. theta energy: -93.347 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: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1040.957431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.957431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.957431 (E_RNA) where: Base-Base interactions energy: -674.440 where: short stacking energy: -283.948 Base-Backbone interact. energy: -0.496 local terms energy: -366.021944 where: bonds (distance) C4'-P energy: -74.620 bonds (distance) P-C4' energy: -80.529 flat angles C4'-P-C4' energy: -74.298 flat angles P-C4'-P energy: -57.537 tors. eta vs tors. theta energy: -79.038 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: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -983.059084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.059084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.059084 (E_RNA) where: Base-Base interactions energy: -621.438 where: short stacking energy: -280.956 Base-Backbone interact. energy: -2.180 local terms energy: -359.441421 where: bonds (distance) C4'-P energy: -76.505 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -74.903 flat angles P-C4'-P energy: -48.770 tors. eta vs tors. theta energy: -75.954 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: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -809.408782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.408782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.408782 (E_RNA) where: Base-Base interactions energy: -510.958 where: short stacking energy: -224.841 Base-Backbone interact. energy: -1.723 local terms energy: -296.727309 where: bonds (distance) C4'-P energy: -51.963 bonds (distance) P-C4' energy: -72.711 flat angles C4'-P-C4' energy: -88.163 flat angles P-C4'-P energy: -26.890 tors. eta vs tors. theta energy: -57.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -574.526135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.526135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.526135 (E_RNA) where: Base-Base interactions energy: -295.257 where: short stacking energy: -163.474 Base-Backbone interact. energy: -1.753 local terms energy: -277.515828 where: bonds (distance) C4'-P energy: -62.416 bonds (distance) P-C4' energy: -72.996 flat angles C4'-P-C4' energy: -63.516 flat angles P-C4'-P energy: -46.745 tors. eta vs tors. theta energy: -31.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -553.652122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.652122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.652122 (E_RNA) where: Base-Base interactions energy: -308.542 where: short stacking energy: -174.317 Base-Backbone interact. energy: 0.638 local terms energy: -245.748046 where: bonds (distance) C4'-P energy: -49.977 bonds (distance) P-C4' energy: -72.825 flat angles C4'-P-C4' energy: -64.732 flat angles P-C4'-P energy: -34.863 tors. eta vs tors. theta energy: -23.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -425.773506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.773506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.773506 (E_RNA) where: Base-Base interactions energy: -197.139 where: short stacking energy: -113.113 Base-Backbone interact. energy: -3.974 local terms energy: -224.660630 where: bonds (distance) C4'-P energy: -68.820 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -48.873 flat angles P-C4'-P energy: -44.517 tors. eta vs tors. theta energy: 5.938 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: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -300.137729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.137729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.137729 (E_RNA) where: Base-Base interactions energy: -103.242 where: short stacking energy: -61.799 Base-Backbone interact. energy: -0.908 local terms energy: -195.987190 where: bonds (distance) C4'-P energy: -66.890 bonds (distance) P-C4' energy: -56.366 flat angles C4'-P-C4' energy: -64.353 flat angles P-C4'-P energy: -32.682 tors. eta vs tors. theta energy: 24.304 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: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1278.137777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.137777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.137777 (E_RNA) where: Base-Base interactions energy: -845.450 where: short stacking energy: -391.525 Base-Backbone interact. energy: -4.035 local terms energy: -428.652688 where: bonds (distance) C4'-P energy: -85.381 bonds (distance) P-C4' energy: -82.210 flat angles C4'-P-C4' energy: -84.540 flat angles P-C4'-P energy: -62.283 tors. eta vs tors. theta energy: -114.238 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: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1280.545487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.545487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.545487 (E_RNA) where: Base-Base interactions energy: -880.457 where: short stacking energy: -380.759 Base-Backbone interact. energy: 1.625 local terms energy: -401.713128 where: bonds (distance) C4'-P energy: -72.099 bonds (distance) P-C4' energy: -78.854 flat angles C4'-P-C4' energy: -83.624 flat angles P-C4'-P energy: -58.358 tors. eta vs tors. theta energy: -108.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1167.765057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.765057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.765057 (E_RNA) where: Base-Base interactions energy: -787.138 where: short stacking energy: -339.875 Base-Backbone interact. energy: 1.245 local terms energy: -381.872586 where: bonds (distance) C4'-P energy: -80.677 bonds (distance) P-C4' energy: -85.052 flat angles C4'-P-C4' energy: -75.571 flat angles P-C4'-P energy: -44.690 tors. eta vs tors. theta energy: -95.881 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: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1063.105967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.105967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.105967 (E_RNA) where: Base-Base interactions energy: -679.755 where: short stacking energy: -313.826 Base-Backbone interact. energy: -1.741 local terms energy: -381.610279 where: bonds (distance) C4'-P energy: -83.083 bonds (distance) P-C4' energy: -75.865 flat angles C4'-P-C4' energy: -84.875 flat angles P-C4'-P energy: -46.800 tors. eta vs tors. theta energy: -90.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -968.548023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.548023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.548023 (E_RNA) where: Base-Base interactions energy: -642.394 where: short stacking energy: -272.626 Base-Backbone interact. energy: -0.631 local terms energy: -325.522122 where: bonds (distance) C4'-P energy: -69.170 bonds (distance) P-C4' energy: -65.523 flat angles C4'-P-C4' energy: -77.695 flat angles P-C4'-P energy: -46.468 tors. eta vs tors. theta energy: -66.666 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: 6, replica: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -778.112208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.112208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.112208 (E_RNA) where: Base-Base interactions energy: -485.188 where: short stacking energy: -228.899 Base-Backbone interact. energy: -0.358 local terms energy: -292.566151 where: bonds (distance) C4'-P energy: -68.243 bonds (distance) P-C4' energy: -74.553 flat angles C4'-P-C4' energy: -64.060 flat angles P-C4'-P energy: -27.113 tors. eta vs tors. theta energy: -58.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -517.098194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.098194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.098194 (E_RNA) where: Base-Base interactions energy: -266.537 where: short stacking energy: -145.761 Base-Backbone interact. energy: 2.739 local terms energy: -253.300063 where: bonds (distance) C4'-P energy: -62.224 bonds (distance) P-C4' energy: -78.086 flat angles C4'-P-C4' energy: -61.404 flat angles P-C4'-P energy: -40.688 tors. eta vs tors. theta energy: -10.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -511.068249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.068249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.068249 (E_RNA) where: Base-Base interactions energy: -276.553 where: short stacking energy: -146.705 Base-Backbone interact. energy: 7.172 local terms energy: -241.687173 where: bonds (distance) C4'-P energy: -69.062 bonds (distance) P-C4' energy: -67.189 flat angles C4'-P-C4' energy: -57.201 flat angles P-C4'-P energy: -30.047 tors. eta vs tors. theta energy: -18.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -425.414436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.414436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.414436 (E_RNA) where: Base-Base interactions energy: -177.870 where: short stacking energy: -115.602 Base-Backbone interact. energy: -0.731 local terms energy: -246.812916 where: bonds (distance) C4'-P energy: -65.094 bonds (distance) P-C4' energy: -74.663 flat angles C4'-P-C4' energy: -63.152 flat angles P-C4'-P energy: -41.827 tors. eta vs tors. theta energy: -2.078 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: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -333.941497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.941497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.941497 (E_RNA) where: Base-Base interactions energy: -121.726 where: short stacking energy: -102.017 Base-Backbone interact. energy: 1.680 local terms energy: -213.895759 where: bonds (distance) C4'-P energy: -70.316 bonds (distance) P-C4' energy: -66.326 flat angles C4'-P-C4' energy: -48.204 flat angles P-C4'-P energy: -35.573 tors. eta vs tors. theta energy: 6.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1266.855648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.855648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.855648 (E_RNA) where: Base-Base interactions energy: -849.905 where: short stacking energy: -391.575 Base-Backbone interact. energy: -3.506 local terms energy: -413.445232 where: bonds (distance) C4'-P energy: -71.833 bonds (distance) P-C4' energy: -77.100 flat angles C4'-P-C4' energy: -92.833 flat angles P-C4'-P energy: -55.731 tors. eta vs tors. theta energy: -115.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1254.578670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.578670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.578670 (E_RNA) where: Base-Base interactions energy: -840.340 where: short stacking energy: -352.019 Base-Backbone interact. energy: -1.686 local terms energy: -412.552692 where: bonds (distance) C4'-P energy: -68.764 bonds (distance) P-C4' energy: -78.875 flat angles C4'-P-C4' energy: -90.489 flat angles P-C4'-P energy: -70.214 tors. eta vs tors. theta energy: -104.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1183.213368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.213368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.213368 (E_RNA) where: Base-Base interactions energy: -789.269 where: short stacking energy: -344.997 Base-Backbone interact. energy: -2.339 local terms energy: -391.605530 where: bonds (distance) C4'-P energy: -84.407 bonds (distance) P-C4' energy: -73.332 flat angles C4'-P-C4' energy: -81.037 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -105.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1007.123240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.123240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.123240 (E_RNA) where: Base-Base interactions energy: -644.863 where: short stacking energy: -318.773 Base-Backbone interact. energy: -1.356 local terms energy: -360.904068 where: bonds (distance) C4'-P energy: -82.545 bonds (distance) P-C4' energy: -72.388 flat angles C4'-P-C4' energy: -72.065 flat angles P-C4'-P energy: -40.939 tors. eta vs tors. theta energy: -92.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -955.660806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.660806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.660806 (E_RNA) where: Base-Base interactions energy: -600.840 where: short stacking energy: -271.058 Base-Backbone interact. energy: -1.444 local terms energy: -353.377410 where: bonds (distance) C4'-P energy: -78.101 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -82.217 flat angles P-C4'-P energy: -48.479 tors. eta vs tors. theta energy: -77.027 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: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -827.042057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.042057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.042057 (E_RNA) where: Base-Base interactions energy: -534.403 where: short stacking energy: -258.859 Base-Backbone interact. energy: 1.831 local terms energy: -294.470363 where: bonds (distance) C4'-P energy: -60.921 bonds (distance) P-C4' energy: -57.768 flat angles C4'-P-C4' energy: -67.576 flat angles P-C4'-P energy: -47.370 tors. eta vs tors. theta energy: -60.835 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: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -538.957973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.957973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.957973 (E_RNA) where: Base-Base interactions energy: -288.157 where: short stacking energy: -175.155 Base-Backbone interact. energy: -0.650 local terms energy: -250.150687 where: bonds (distance) C4'-P energy: -62.306 bonds (distance) P-C4' energy: -65.109 flat angles C4'-P-C4' energy: -65.695 flat angles P-C4'-P energy: -33.972 tors. eta vs tors. theta energy: -23.069 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: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -523.354053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.354053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.354053 (E_RNA) where: Base-Base interactions energy: -273.482 where: short stacking energy: -148.371 Base-Backbone interact. energy: 0.424 local terms energy: -250.296270 where: bonds (distance) C4'-P energy: -69.189 bonds (distance) P-C4' energy: -71.480 flat angles C4'-P-C4' energy: -66.144 flat angles P-C4'-P energy: -37.626 tors. eta vs tors. theta energy: -5.857 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: 92 Temperature: 1.300000 Total energy: -394.157387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.157387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.157387 (E_RNA) where: Base-Base interactions energy: -167.985 where: short stacking energy: -98.488 Base-Backbone interact. energy: -0.093 local terms energy: -226.078884 where: bonds (distance) C4'-P energy: -64.820 bonds (distance) P-C4' energy: -59.108 flat angles C4'-P-C4' energy: -59.486 flat angles P-C4'-P energy: -43.499 tors. eta vs tors. theta energy: 0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -313.302594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.302594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.302594 (E_RNA) where: Base-Base interactions energy: -126.637 where: short stacking energy: -112.181 Base-Backbone interact. energy: 1.537 local terms energy: -188.203012 where: bonds (distance) C4'-P energy: -68.294 bonds (distance) P-C4' energy: -65.921 flat angles C4'-P-C4' energy: -50.340 flat angles P-C4'-P energy: -17.543 tors. eta vs tors. theta energy: 13.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1254.219074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.219074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.219074 (E_RNA) where: Base-Base interactions energy: -837.587 where: short stacking energy: -387.149 Base-Backbone interact. energy: -1.616 local terms energy: -415.016498 where: bonds (distance) C4'-P energy: -77.463 bonds (distance) P-C4' energy: -82.181 flat angles C4'-P-C4' energy: -82.837 flat angles P-C4'-P energy: -57.786 tors. eta vs tors. theta energy: -114.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1294.208799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.208799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.208799 (E_RNA) where: Base-Base interactions energy: -876.752 where: short stacking energy: -362.990 Base-Backbone interact. energy: -2.352 local terms energy: -415.104985 where: bonds (distance) C4'-P energy: -87.677 bonds (distance) P-C4' energy: -74.116 flat angles C4'-P-C4' energy: -83.569 flat angles P-C4'-P energy: -64.707 tors. eta vs tors. theta energy: -105.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1124.166732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.166732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.166732 (E_RNA) where: Base-Base interactions energy: -735.585 where: short stacking energy: -302.011 Base-Backbone interact. energy: 2.038 local terms energy: -390.619898 where: bonds (distance) C4'-P energy: -85.239 bonds (distance) P-C4' energy: -77.625 flat angles C4'-P-C4' energy: -82.099 flat angles P-C4'-P energy: -53.553 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: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1051.440117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.440117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.440117 (E_RNA) where: Base-Base interactions energy: -684.642 where: short stacking energy: -278.042 Base-Backbone interact. energy: -1.411 local terms energy: -365.387362 where: bonds (distance) C4'-P energy: -74.971 bonds (distance) P-C4' energy: -70.729 flat angles C4'-P-C4' energy: -76.077 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: -88.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -948.208168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.208168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.208168 (E_RNA) where: Base-Base interactions energy: -604.181 where: short stacking energy: -278.996 Base-Backbone interact. energy: -1.150 local terms energy: -342.876224 where: bonds (distance) C4'-P energy: -73.371 bonds (distance) P-C4' energy: -67.408 flat angles C4'-P-C4' energy: -82.641 flat angles P-C4'-P energy: -51.604 tors. eta vs tors. theta energy: -67.852 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: 93 Temperature: 1.150000 Total energy: -834.330759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.330759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.330759 (E_RNA) where: Base-Base interactions energy: -511.833 where: short stacking energy: -227.429 Base-Backbone interact. energy: -0.350 local terms energy: -322.147874 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -74.899 flat angles C4'-P-C4' energy: -78.569 flat angles P-C4'-P energy: -48.467 tors. eta vs tors. theta energy: -50.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -583.403810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.403810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.403810 (E_RNA) where: Base-Base interactions energy: -342.534 where: short stacking energy: -200.872 Base-Backbone interact. energy: -0.084 local terms energy: -240.785486 where: bonds (distance) C4'-P energy: -54.874 bonds (distance) P-C4' energy: -53.535 flat angles C4'-P-C4' energy: -68.605 flat angles P-C4'-P energy: -36.114 tors. eta vs tors. theta energy: -27.657 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: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -502.632188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.632188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.632188 (E_RNA) where: Base-Base interactions energy: -257.539 where: short stacking energy: -141.306 Base-Backbone interact. energy: 0.567 local terms energy: -245.660770 where: bonds (distance) C4'-P energy: -58.876 bonds (distance) P-C4' energy: -75.113 flat angles C4'-P-C4' energy: -64.419 flat angles P-C4'-P energy: -44.337 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -371.342059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.342059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.342059 (E_RNA) where: Base-Base interactions energy: -145.236 where: short stacking energy: -108.895 Base-Backbone interact. energy: -1.720 local terms energy: -224.385933 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -69.108 flat angles C4'-P-C4' energy: -60.650 flat angles P-C4'-P energy: -27.524 tors. eta vs tors. theta energy: -4.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -299.784868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.784868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.784868 (E_RNA) where: Base-Base interactions energy: -87.208 where: short stacking energy: -67.591 Base-Backbone interact. energy: -1.493 local terms energy: -211.083499 where: bonds (distance) C4'-P energy: -70.152 bonds (distance) P-C4' energy: -67.101 flat angles C4'-P-C4' energy: -54.666 flat angles P-C4'-P energy: -34.340 tors. eta vs tors. theta energy: 15.175 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: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1333.504483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.504483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.504483 (E_RNA) where: Base-Base interactions energy: -917.683 where: short stacking energy: -374.596 Base-Backbone interact. energy: -0.160 local terms energy: -415.661631 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -77.617 flat angles C4'-P-C4' energy: -89.226 flat angles P-C4'-P energy: -57.422 tors. eta vs tors. theta energy: -111.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1215.882655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.882655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.882655 (E_RNA) where: Base-Base interactions energy: -802.698 where: short stacking energy: -347.437 Base-Backbone interact. energy: -1.395 local terms energy: -411.789253 where: bonds (distance) C4'-P energy: -80.735 bonds (distance) P-C4' energy: -83.504 flat angles C4'-P-C4' energy: -85.283 flat angles P-C4'-P energy: -54.453 tors. eta vs tors. theta energy: -107.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1163.087353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.087353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.087353 (E_RNA) where: Base-Base interactions energy: -781.516 where: short stacking energy: -330.361 Base-Backbone interact. energy: -1.981 local terms energy: -379.590716 where: bonds (distance) C4'-P energy: -79.835 bonds (distance) P-C4' energy: -77.844 flat angles C4'-P-C4' energy: -86.787 flat angles P-C4'-P energy: -50.547 tors. eta vs tors. theta energy: -84.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1014.179718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.179718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.179718 (E_RNA) where: Base-Base interactions energy: -666.365 where: short stacking energy: -266.217 Base-Backbone interact. energy: -2.232 local terms energy: -345.582321 where: bonds (distance) C4'-P energy: -76.845 bonds (distance) P-C4' energy: -73.337 flat angles C4'-P-C4' energy: -80.803 flat angles P-C4'-P energy: -47.769 tors. eta vs tors. theta energy: -66.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -964.295315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.295315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.295315 (E_RNA) where: Base-Base interactions energy: -602.664 where: short stacking energy: -266.517 Base-Backbone interact. energy: -1.726 local terms energy: -359.905207 where: bonds (distance) C4'-P energy: -78.164 bonds (distance) P-C4' energy: -78.181 flat angles C4'-P-C4' energy: -82.712 flat angles P-C4'-P energy: -48.941 tors. eta vs tors. theta energy: -71.908 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: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -873.291526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.291526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.291526 (E_RNA) where: Base-Base interactions energy: -532.466 where: short stacking energy: -237.920 Base-Backbone interact. energy: 0.292 local terms energy: -341.117234 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -79.874 flat angles C4'-P-C4' energy: -80.628 flat angles P-C4'-P energy: -44.572 tors. eta vs tors. theta energy: -59.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -544.358079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.358079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.358079 (E_RNA) where: Base-Base interactions energy: -293.752 where: short stacking energy: -155.383 Base-Backbone interact. energy: -2.395 local terms energy: -248.211248 where: bonds (distance) C4'-P energy: -67.035 bonds (distance) P-C4' energy: -62.758 flat angles C4'-P-C4' energy: -62.952 flat angles P-C4'-P energy: -31.690 tors. eta vs tors. theta energy: -23.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -484.736026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.736026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.736026 (E_RNA) where: Base-Base interactions energy: -239.924 where: short stacking energy: -157.786 Base-Backbone interact. energy: -1.529 local terms energy: -243.283451 where: bonds (distance) C4'-P energy: -46.938 bonds (distance) P-C4' energy: -66.656 flat angles C4'-P-C4' energy: -66.697 flat angles P-C4'-P energy: -36.393 tors. eta vs tors. theta energy: -26.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -373.346893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.346893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.346893 (E_RNA) where: Base-Base interactions energy: -148.852 where: short stacking energy: -109.108 Base-Backbone interact. energy: 1.877 local terms energy: -226.372542 where: bonds (distance) C4'-P energy: -71.319 bonds (distance) P-C4' energy: -70.406 flat angles C4'-P-C4' energy: -47.687 flat angles P-C4'-P energy: -38.790 tors. eta vs tors. theta energy: 1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -322.376186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.376186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.376186 (E_RNA) where: Base-Base interactions energy: -109.753 where: short stacking energy: -78.867 Base-Backbone interact. energy: -0.584 local terms energy: -212.039331 where: bonds (distance) C4'-P energy: -65.672 bonds (distance) P-C4' energy: -72.374 flat angles C4'-P-C4' energy: -57.311 flat angles P-C4'-P energy: -23.102 tors. eta vs tors. theta energy: 6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1343.328742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.328742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.328742 (E_RNA) where: Base-Base interactions energy: -915.833 where: short stacking energy: -379.258 Base-Backbone interact. energy: 0.817 local terms energy: -428.312234 where: bonds (distance) C4'-P energy: -82.836 bonds (distance) P-C4' energy: -78.620 flat angles C4'-P-C4' energy: -95.161 flat angles P-C4'-P energy: -55.538 tors. eta vs tors. theta energy: -116.157 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: 2, replica: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1220.192007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.192007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.192007 (E_RNA) where: Base-Base interactions energy: -791.729 where: short stacking energy: -364.954 Base-Backbone interact. energy: -2.146 local terms energy: -426.317090 where: bonds (distance) C4'-P energy: -78.524 bonds (distance) P-C4' energy: -80.116 flat angles C4'-P-C4' energy: -90.263 flat angles P-C4'-P energy: -65.308 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: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1166.487923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.487923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.487923 (E_RNA) where: Base-Base interactions energy: -775.778 where: short stacking energy: -324.645 Base-Backbone interact. energy: 0.615 local terms energy: -391.325446 where: bonds (distance) C4'-P energy: -81.465 bonds (distance) P-C4' energy: -86.105 flat angles C4'-P-C4' energy: -88.691 flat angles P-C4'-P energy: -50.006 tors. eta vs tors. theta energy: -85.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -983.173118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.173118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.173118 (E_RNA) where: Base-Base interactions energy: -637.385 where: short stacking energy: -276.705 Base-Backbone interact. energy: -0.203 local terms energy: -345.585579 where: bonds (distance) C4'-P energy: -70.472 bonds (distance) P-C4' energy: -67.723 flat angles C4'-P-C4' energy: -66.816 flat angles P-C4'-P energy: -54.608 tors. eta vs tors. theta energy: -85.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -944.603077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.603077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.603077 (E_RNA) where: Base-Base interactions energy: -592.625 where: short stacking energy: -271.139 Base-Backbone interact. energy: -2.169 local terms energy: -349.808181 where: bonds (distance) C4'-P energy: -73.857 bonds (distance) P-C4' energy: -84.495 flat angles C4'-P-C4' energy: -76.370 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -71.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -831.388010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.388010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.388010 (E_RNA) where: Base-Base interactions energy: -506.176 where: short stacking energy: -258.553 Base-Backbone interact. energy: -1.092 local terms energy: -324.120631 where: bonds (distance) C4'-P energy: -54.504 bonds (distance) P-C4' energy: -70.378 flat angles C4'-P-C4' energy: -76.163 flat angles P-C4'-P energy: -54.468 tors. eta vs tors. theta energy: -68.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -531.368089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.368089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.368089 (E_RNA) where: Base-Base interactions energy: -282.903 where: short stacking energy: -169.487 Base-Backbone interact. energy: -1.234 local terms energy: -247.230819 where: bonds (distance) C4'-P energy: -75.811 bonds (distance) P-C4' energy: -73.654 flat angles C4'-P-C4' energy: -55.974 flat angles P-C4'-P energy: -35.335 tors. eta vs tors. theta energy: -6.457 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: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -516.494411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.494411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.494411 (E_RNA) where: Base-Base interactions energy: -279.585 where: short stacking energy: -129.977 Base-Backbone interact. energy: -1.129 local terms energy: -235.780732 where: bonds (distance) C4'-P energy: -60.472 bonds (distance) P-C4' energy: -76.090 flat angles C4'-P-C4' energy: -65.562 flat angles P-C4'-P energy: -22.939 tors. eta vs tors. theta energy: -10.718 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: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -345.145247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.145247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.145247 (E_RNA) where: Base-Base interactions energy: -143.026 where: short stacking energy: -89.109 Base-Backbone interact. energy: -0.004 local terms energy: -202.114767 where: bonds (distance) C4'-P energy: -56.838 bonds (distance) P-C4' energy: -77.043 flat angles C4'-P-C4' energy: -51.463 flat angles P-C4'-P energy: -14.139 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -316.764968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.764968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.764968 (E_RNA) where: Base-Base interactions energy: -115.078 where: short stacking energy: -91.814 Base-Backbone interact. energy: -2.417 local terms energy: -199.269478 where: bonds (distance) C4'-P energy: -57.761 bonds (distance) P-C4' energy: -58.421 flat angles C4'-P-C4' energy: -75.915 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: 3.044 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: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1328.216604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.216604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.216604 (E_RNA) where: Base-Base interactions energy: -911.947 where: short stacking energy: -391.123 Base-Backbone interact. energy: 0.290 local terms energy: -416.560034 where: bonds (distance) C4'-P energy: -74.439 bonds (distance) P-C4' energy: -75.424 flat angles C4'-P-C4' energy: -92.108 flat angles P-C4'-P energy: -60.011 tors. eta vs tors. theta energy: -114.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1224.198767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.198767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.198767 (E_RNA) where: Base-Base interactions energy: -821.512 where: short stacking energy: -367.376 Base-Backbone interact. energy: -2.052 local terms energy: -400.634850 where: bonds (distance) C4'-P energy: -59.353 bonds (distance) P-C4' energy: -82.881 flat angles C4'-P-C4' energy: -80.311 flat angles P-C4'-P energy: -68.977 tors. eta vs tors. theta energy: -109.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1178.476095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.476095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.476095 (E_RNA) where: Base-Base interactions energy: -798.030 where: short stacking energy: -329.718 Base-Backbone interact. energy: -3.174 local terms energy: -377.272483 where: bonds (distance) C4'-P energy: -75.017 bonds (distance) P-C4' energy: -79.451 flat angles C4'-P-C4' energy: -81.074 flat angles P-C4'-P energy: -51.845 tors. eta vs tors. theta energy: -89.885 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: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -970.468801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.468801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.468801 (E_RNA) where: Base-Base interactions energy: -622.504 where: short stacking energy: -291.322 Base-Backbone interact. energy: -2.893 local terms energy: -345.071874 where: bonds (distance) C4'-P energy: -71.067 bonds (distance) P-C4' energy: -79.894 flat angles C4'-P-C4' energy: -71.431 flat angles P-C4'-P energy: -48.366 tors. eta vs tors. theta energy: -74.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -938.475618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.475618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.475618 (E_RNA) where: Base-Base interactions energy: -607.150 where: short stacking energy: -296.527 Base-Backbone interact. energy: -2.741 local terms energy: -328.584338 where: bonds (distance) C4'-P energy: -49.855 bonds (distance) P-C4' energy: -78.635 flat angles C4'-P-C4' energy: -81.662 flat angles P-C4'-P energy: -41.488 tors. eta vs tors. theta energy: -76.944 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: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -787.070912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.070912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.070912 (E_RNA) where: Base-Base interactions energy: -466.149 where: short stacking energy: -220.409 Base-Backbone interact. energy: -0.128 local terms energy: -320.794319 where: bonds (distance) C4'-P energy: -62.935 bonds (distance) P-C4' energy: -88.010 flat angles C4'-P-C4' energy: -69.213 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: -58.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -568.062270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.062270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.062270 (E_RNA) where: Base-Base interactions energy: -305.813 where: short stacking energy: -171.075 Base-Backbone interact. energy: -1.627 local terms energy: -260.621327 where: bonds (distance) C4'-P energy: -70.483 bonds (distance) P-C4' energy: -62.040 flat angles C4'-P-C4' energy: -59.866 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -19.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -496.279094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.279094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.279094 (E_RNA) where: Base-Base interactions energy: -265.395 where: short stacking energy: -128.699 Base-Backbone interact. energy: -0.875 local terms energy: -230.009321 where: bonds (distance) C4'-P energy: -49.909 bonds (distance) P-C4' energy: -60.583 flat angles C4'-P-C4' energy: -70.384 flat angles P-C4'-P energy: -37.577 tors. eta vs tors. theta energy: -11.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -363.103185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.103185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.103185 (E_RNA) where: Base-Base interactions energy: -128.328 where: short stacking energy: -106.619 Base-Backbone interact. energy: 0.278 local terms energy: -235.052504 where: bonds (distance) C4'-P energy: -62.737 bonds (distance) P-C4' energy: -80.908 flat angles C4'-P-C4' energy: -64.234 flat angles P-C4'-P energy: -36.811 tors. eta vs tors. theta energy: 9.637 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: 96 Temperature: 1.350000 Total energy: -341.541673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.541673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.541673 (E_RNA) where: Base-Base interactions energy: -109.006 where: short stacking energy: -108.910 Base-Backbone interact. energy: -0.677 local terms energy: -231.858276 where: bonds (distance) C4'-P energy: -68.592 bonds (distance) P-C4' energy: -63.168 flat angles C4'-P-C4' energy: -51.089 flat angles P-C4'-P energy: -45.838 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1319.641982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.641982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.641982 (E_RNA) where: Base-Base interactions energy: -895.708 where: short stacking energy: -372.318 Base-Backbone interact. energy: 2.825 local terms energy: -426.758988 where: bonds (distance) C4'-P energy: -77.897 bonds (distance) P-C4' energy: -82.760 flat angles C4'-P-C4' energy: -93.351 flat angles P-C4'-P energy: -58.262 tors. eta vs tors. theta energy: -114.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1220.109613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.109613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.109613 (E_RNA) where: Base-Base interactions energy: -802.591 where: short stacking energy: -355.586 Base-Backbone interact. energy: -2.359 local terms energy: -415.159352 where: bonds (distance) C4'-P energy: -84.143 bonds (distance) P-C4' energy: -79.692 flat angles C4'-P-C4' energy: -87.915 flat angles P-C4'-P energy: -52.299 tors. eta vs tors. theta energy: -111.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1187.599810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.599810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.599810 (E_RNA) where: Base-Base interactions energy: -798.012 where: short stacking energy: -336.495 Base-Backbone interact. energy: 2.514 local terms energy: -392.101656 where: bonds (distance) C4'-P energy: -90.785 bonds (distance) P-C4' energy: -64.209 flat angles C4'-P-C4' energy: -83.068 flat angles P-C4'-P energy: -54.635 tors. eta vs tors. theta energy: -99.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1037.405041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.405041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.405041 (E_RNA) where: Base-Base interactions energy: -658.750 where: short stacking energy: -302.766 Base-Backbone interact. energy: -2.597 local terms energy: -376.058378 where: bonds (distance) C4'-P energy: -77.161 bonds (distance) P-C4' energy: -70.199 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -50.942 tors. eta vs tors. theta energy: -91.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -939.724328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.724328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.724328 (E_RNA) where: Base-Base interactions energy: -597.088 where: short stacking energy: -267.546 Base-Backbone interact. energy: -1.555 local terms energy: -341.080862 where: bonds (distance) C4'-P energy: -63.692 bonds (distance) P-C4' energy: -81.209 flat angles C4'-P-C4' energy: -79.797 flat angles P-C4'-P energy: -54.483 tors. eta vs tors. theta energy: -61.900 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: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -803.971935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.971935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.971935 (E_RNA) where: Base-Base interactions energy: -496.015 where: short stacking energy: -241.334 Base-Backbone interact. energy: 1.687 local terms energy: -309.643729 where: bonds (distance) C4'-P energy: -75.484 bonds (distance) P-C4' energy: -72.771 flat angles C4'-P-C4' energy: -68.887 flat angles P-C4'-P energy: -43.860 tors. eta vs tors. theta energy: -48.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -567.615649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.615649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.615649 (E_RNA) where: Base-Base interactions energy: -312.303 where: short stacking energy: -159.407 Base-Backbone interact. energy: 3.661 local terms energy: -258.973693 where: bonds (distance) C4'-P energy: -66.348 bonds (distance) P-C4' energy: -67.629 flat angles C4'-P-C4' energy: -58.827 flat angles P-C4'-P energy: -43.884 tors. eta vs tors. theta energy: -22.285 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: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -518.394369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.394369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.394369 (E_RNA) where: Base-Base interactions energy: -274.972 where: short stacking energy: -133.145 Base-Backbone interact. energy: -3.597 local terms energy: -239.826163 where: bonds (distance) C4'-P energy: -62.948 bonds (distance) P-C4' energy: -76.209 flat angles C4'-P-C4' energy: -54.836 flat angles P-C4'-P energy: -40.081 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -374.609709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.609709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.609709 (E_RNA) where: Base-Base interactions energy: -180.678 where: short stacking energy: -126.184 Base-Backbone interact. energy: 1.227 local terms energy: -195.159044 where: bonds (distance) C4'-P energy: -54.286 bonds (distance) P-C4' energy: -59.611 flat angles C4'-P-C4' energy: -43.547 flat angles P-C4'-P energy: -41.267 tors. eta vs tors. theta energy: 3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -327.055036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.055036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.055036 (E_RNA) where: Base-Base interactions energy: -105.877 where: short stacking energy: -88.676 Base-Backbone interact. energy: 0.911 local terms energy: -222.089114 where: bonds (distance) C4'-P energy: -48.435 bonds (distance) P-C4' energy: -66.481 flat angles C4'-P-C4' energy: -71.516 flat angles P-C4'-P energy: -34.715 tors. eta vs tors. theta energy: -0.943 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: 1, replica: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1318.716537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.716537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.716537 (E_RNA) where: Base-Base interactions energy: -898.509 where: short stacking energy: -374.709 Base-Backbone interact. energy: 3.679 local terms energy: -423.885955 where: bonds (distance) C4'-P energy: -77.002 bonds (distance) P-C4' energy: -86.286 flat angles C4'-P-C4' energy: -88.234 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: -111.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1190.773567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.773567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.773567 (E_RNA) where: Base-Base interactions energy: -784.237 where: short stacking energy: -356.994 Base-Backbone interact. energy: -2.243 local terms energy: -404.294065 where: bonds (distance) C4'-P energy: -81.113 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -80.323 flat angles P-C4'-P energy: -58.604 tors. eta vs tors. theta energy: -105.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1229.650473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.650473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.650473 (E_RNA) where: Base-Base interactions energy: -814.046 where: short stacking energy: -347.442 Base-Backbone interact. energy: -3.425 local terms energy: -412.178567 where: bonds (distance) C4'-P energy: -82.724 bonds (distance) P-C4' energy: -77.968 flat angles C4'-P-C4' energy: -88.388 flat angles P-C4'-P energy: -55.476 tors. eta vs tors. theta energy: -107.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1038.322297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.322297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.322297 (E_RNA) where: Base-Base interactions energy: -674.618 where: short stacking energy: -307.034 Base-Backbone interact. energy: -1.721 local terms energy: -361.983360 where: bonds (distance) C4'-P energy: -70.317 bonds (distance) P-C4' energy: -71.234 flat angles C4'-P-C4' energy: -77.151 flat angles P-C4'-P energy: -60.399 tors. eta vs tors. theta energy: -82.883 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: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -975.230001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.230001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.230001 (E_RNA) where: Base-Base interactions energy: -623.648 where: short stacking energy: -288.183 Base-Backbone interact. energy: -1.338 local terms energy: -350.243764 where: bonds (distance) C4'-P energy: -73.703 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -73.555 flat angles P-C4'-P energy: -49.762 tors. eta vs tors. theta energy: -82.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -768.354083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.354083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.354083 (E_RNA) where: Base-Base interactions energy: -456.105 where: short stacking energy: -233.765 Base-Backbone interact. energy: -1.572 local terms energy: -310.676604 where: bonds (distance) C4'-P energy: -68.821 bonds (distance) P-C4' energy: -77.531 flat angles C4'-P-C4' energy: -67.863 flat angles P-C4'-P energy: -48.274 tors. eta vs tors. theta energy: -48.188 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: 7, replica: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -575.626247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.626247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.626247 (E_RNA) where: Base-Base interactions energy: -312.782 where: short stacking energy: -185.507 Base-Backbone interact. energy: 2.943 local terms energy: -265.786960 where: bonds (distance) C4'-P energy: -61.348 bonds (distance) P-C4' energy: -77.193 flat angles C4'-P-C4' energy: -65.617 flat angles P-C4'-P energy: -31.405 tors. eta vs tors. theta energy: -30.224 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: 8, replica: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -515.157921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.157921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.157921 (E_RNA) where: Base-Base interactions energy: -253.793 where: short stacking energy: -138.684 Base-Backbone interact. energy: 3.646 local terms energy: -265.010189 where: bonds (distance) C4'-P energy: -72.309 bonds (distance) P-C4' energy: -63.756 flat angles C4'-P-C4' energy: -58.212 flat angles P-C4'-P energy: -54.890 tors. eta vs tors. theta energy: -15.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -338.884869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.884869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.884869 (E_RNA) where: Base-Base interactions energy: -118.500 where: short stacking energy: -103.633 Base-Backbone interact. energy: -1.345 local terms energy: -219.039616 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -66.590 flat angles C4'-P-C4' energy: -53.810 flat angles P-C4'-P energy: -25.318 tors. eta vs tors. theta energy: -4.037 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: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -320.500461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.500461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.500461 (E_RNA) where: Base-Base interactions energy: -95.891 where: short stacking energy: -73.710 Base-Backbone interact. energy: -0.975 local terms energy: -223.634960 where: bonds (distance) C4'-P energy: -60.332 bonds (distance) P-C4' energy: -65.817 flat angles C4'-P-C4' energy: -65.723 flat angles P-C4'-P energy: -40.463 tors. eta vs tors. theta energy: 8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1296.386413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.386413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.386413 (E_RNA) where: Base-Base interactions energy: -873.475 where: short stacking energy: -381.440 Base-Backbone interact. energy: -1.241 local terms energy: -421.670565 where: bonds (distance) C4'-P energy: -82.342 bonds (distance) P-C4' energy: -70.705 flat angles C4'-P-C4' energy: -89.620 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -110.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1248.977530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.977530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.977530 (E_RNA) where: Base-Base interactions energy: -870.834 where: short stacking energy: -367.988 Base-Backbone interact. energy: 2.622 local terms energy: -380.764827 where: bonds (distance) C4'-P energy: -69.491 bonds (distance) P-C4' energy: -74.016 flat angles C4'-P-C4' energy: -83.370 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: -103.279 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: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1181.505527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.505527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.505527 (E_RNA) where: Base-Base interactions energy: -794.822 where: short stacking energy: -365.622 Base-Backbone interact. energy: -1.824 local terms energy: -384.859760 where: bonds (distance) C4'-P energy: -69.333 bonds (distance) P-C4' energy: -68.694 flat angles C4'-P-C4' energy: -85.570 flat angles P-C4'-P energy: -55.815 tors. eta vs tors. theta energy: -105.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1040.604571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.604571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.604571 (E_RNA) where: Base-Base interactions energy: -687.855 where: short stacking energy: -309.621 Base-Backbone interact. energy: 1.078 local terms energy: -353.828131 where: bonds (distance) C4'-P energy: -71.175 bonds (distance) P-C4' energy: -71.670 flat angles C4'-P-C4' energy: -86.877 flat angles P-C4'-P energy: -38.949 tors. eta vs tors. theta energy: -85.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -930.859224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.859224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.859224 (E_RNA) where: Base-Base interactions energy: -604.953 where: short stacking energy: -251.601 Base-Backbone interact. energy: 0.494 local terms energy: -326.400200 where: bonds (distance) C4'-P energy: -81.320 bonds (distance) P-C4' energy: -66.058 flat angles C4'-P-C4' energy: -59.413 flat angles P-C4'-P energy: -51.695 tors. eta vs tors. theta energy: -67.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -779.851345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.851345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.851345 (E_RNA) where: Base-Base interactions energy: -473.543 where: short stacking energy: -227.245 Base-Backbone interact. energy: -1.076 local terms energy: -305.232176 where: bonds (distance) C4'-P energy: -69.685 bonds (distance) P-C4' energy: -72.643 flat angles C4'-P-C4' energy: -77.415 flat angles P-C4'-P energy: -30.526 tors. eta vs tors. theta energy: -54.963 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: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -607.516408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.516408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.516408 (E_RNA) where: Base-Base interactions energy: -356.597 where: short stacking energy: -189.495 Base-Backbone interact. energy: -3.379 local terms energy: -247.540406 where: bonds (distance) C4'-P energy: -66.542 bonds (distance) P-C4' energy: -63.202 flat angles C4'-P-C4' energy: -56.216 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -18.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -463.729865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.729865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.729865 (E_RNA) where: Base-Base interactions energy: -227.920 where: short stacking energy: -101.470 Base-Backbone interact. energy: -1.233 local terms energy: -234.577435 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -71.659 flat angles C4'-P-C4' energy: -60.526 flat angles P-C4'-P energy: -35.585 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -334.568095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.568095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.568095 (E_RNA) where: Base-Base interactions energy: -121.517 where: short stacking energy: -89.952 Base-Backbone interact. energy: -0.724 local terms energy: -212.326964 where: bonds (distance) C4'-P energy: -68.751 bonds (distance) P-C4' energy: -76.530 flat angles C4'-P-C4' energy: -49.213 flat angles P-C4'-P energy: -26.897 tors. eta vs tors. theta energy: 9.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -351.157001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.157001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.157001 (E_RNA) where: Base-Base interactions energy: -143.785 where: short stacking energy: -79.991 Base-Backbone interact. energy: 4.669 local terms energy: -212.040580 where: bonds (distance) C4'-P energy: -57.334 bonds (distance) P-C4' energy: -76.984 flat angles C4'-P-C4' energy: -44.960 flat angles P-C4'-P energy: -35.348 tors. eta vs tors. theta energy: 2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1313.826036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.826036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.826036 (E_RNA) where: Base-Base interactions energy: -897.741 where: short stacking energy: -388.718 Base-Backbone interact. energy: -0.969 local terms energy: -415.116331 where: bonds (distance) C4'-P energy: -59.588 bonds (distance) P-C4' energy: -84.172 flat angles C4'-P-C4' energy: -93.741 flat angles P-C4'-P energy: -57.322 tors. eta vs tors. theta energy: -120.293 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: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1256.253214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.253214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.253214 (E_RNA) where: Base-Base interactions energy: -849.969 where: short stacking energy: -361.023 Base-Backbone interact. energy: -5.600 local terms energy: -400.684298 where: bonds (distance) C4'-P energy: -77.940 bonds (distance) P-C4' energy: -76.038 flat angles C4'-P-C4' energy: -86.662 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -109.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1182.049549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.049549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.049549 (E_RNA) where: Base-Base interactions energy: -810.931 where: short stacking energy: -352.286 Base-Backbone interact. energy: -3.435 local terms energy: -367.683466 where: bonds (distance) C4'-P energy: -60.124 bonds (distance) P-C4' energy: -67.254 flat angles C4'-P-C4' energy: -86.823 flat angles P-C4'-P energy: -49.845 tors. eta vs tors. theta energy: -103.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1071.268084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.268084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.268084 (E_RNA) where: Base-Base interactions energy: -729.799 where: short stacking energy: -308.057 Base-Backbone interact. energy: -0.840 local terms energy: -340.628829 where: bonds (distance) C4'-P energy: -63.139 bonds (distance) P-C4' energy: -69.128 flat angles C4'-P-C4' energy: -80.831 flat angles P-C4'-P energy: -40.007 tors. eta vs tors. theta energy: -87.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -940.889219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.889219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.889219 (E_RNA) where: Base-Base interactions energy: -589.822 where: short stacking energy: -280.666 Base-Backbone interact. energy: -0.856 local terms energy: -350.210719 where: bonds (distance) C4'-P energy: -67.638 bonds (distance) P-C4' energy: -80.425 flat angles C4'-P-C4' energy: -79.911 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -72.591 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: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -736.349474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.349474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.349474 (E_RNA) where: Base-Base interactions energy: -444.383 where: short stacking energy: -198.388 Base-Backbone interact. energy: -1.305 local terms energy: -290.661647 where: bonds (distance) C4'-P energy: -66.665 bonds (distance) P-C4' energy: -80.598 flat angles C4'-P-C4' energy: -51.599 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -46.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -600.972750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.972750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.972750 (E_RNA) where: Base-Base interactions energy: -320.824 where: short stacking energy: -162.719 Base-Backbone interact. energy: 0.320 local terms energy: -280.468999 where: bonds (distance) C4'-P energy: -65.294 bonds (distance) P-C4' energy: -80.199 flat angles C4'-P-C4' energy: -72.323 flat angles P-C4'-P energy: -40.746 tors. eta vs tors. theta energy: -21.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -529.592704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.592704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.592704 (E_RNA) where: Base-Base interactions energy: -276.772 where: short stacking energy: -133.395 Base-Backbone interact. energy: -2.255 local terms energy: -250.565306 where: bonds (distance) C4'-P energy: -70.811 bonds (distance) P-C4' energy: -67.055 flat angles C4'-P-C4' energy: -54.328 flat angles P-C4'-P energy: -42.882 tors. eta vs tors. theta energy: -15.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -325.626822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.626822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.626822 (E_RNA) where: Base-Base interactions energy: -101.764 where: short stacking energy: -83.384 Base-Backbone interact. energy: 2.234 local terms energy: -226.096737 where: bonds (distance) C4'-P energy: -79.335 bonds (distance) P-C4' energy: -74.239 flat angles C4'-P-C4' energy: -49.532 flat angles P-C4'-P energy: -40.476 tors. eta vs tors. theta energy: 17.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -310.079230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.079230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.079230 (E_RNA) where: Base-Base interactions energy: -92.186 where: short stacking energy: -90.423 Base-Backbone interact. energy: 2.242 local terms energy: -220.135371 where: bonds (distance) C4'-P energy: -57.723 bonds (distance) P-C4' energy: -77.413 flat angles C4'-P-C4' energy: -50.793 flat angles P-C4'-P energy: -31.184 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: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1286.013420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.013420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.013420 (E_RNA) where: Base-Base interactions energy: -869.609 where: short stacking energy: -367.973 Base-Backbone interact. energy: 0.302 local terms energy: -416.705736 where: bonds (distance) C4'-P energy: -74.148 bonds (distance) P-C4' energy: -78.366 flat angles C4'-P-C4' energy: -93.582 flat angles P-C4'-P energy: -67.188 tors. eta vs tors. theta energy: -103.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1238.168794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.168794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.168794 (E_RNA) where: Base-Base interactions energy: -819.492 where: short stacking energy: -362.957 Base-Backbone interact. energy: -1.478 local terms energy: -417.199117 where: bonds (distance) C4'-P energy: -75.672 bonds (distance) P-C4' energy: -89.458 flat angles C4'-P-C4' energy: -83.398 flat angles P-C4'-P energy: -58.856 tors. eta vs tors. theta energy: -109.816 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: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1230.625982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.625982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.625982 (E_RNA) where: Base-Base interactions energy: -831.088 where: short stacking energy: -344.171 Base-Backbone interact. energy: -2.805 local terms energy: -396.733590 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -82.795 flat angles C4'-P-C4' energy: -83.005 flat angles P-C4'-P energy: -56.440 tors. eta vs tors. theta energy: -98.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1013.638366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.638366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.638366 (E_RNA) where: Base-Base interactions energy: -664.687 where: short stacking energy: -302.075 Base-Backbone interact. energy: 2.299 local terms energy: -351.249585 where: bonds (distance) C4'-P energy: -64.106 bonds (distance) P-C4' energy: -69.711 flat angles C4'-P-C4' energy: -71.340 flat angles P-C4'-P energy: -59.740 tors. eta vs tors. theta energy: -86.353 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: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -906.730662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.730662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.730662 (E_RNA) where: Base-Base interactions energy: -574.166 where: short stacking energy: -252.479 Base-Backbone interact. energy: -3.830 local terms energy: -328.734148 where: bonds (distance) C4'-P energy: -75.178 bonds (distance) P-C4' energy: -74.746 flat angles C4'-P-C4' energy: -66.211 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: -70.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -655.247384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.247384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.247384 (E_RNA) where: Base-Base interactions energy: -362.266 where: short stacking energy: -194.013 Base-Backbone interact. energy: -1.453 local terms energy: -291.528509 where: bonds (distance) C4'-P energy: -69.260 bonds (distance) P-C4' energy: -77.999 flat angles C4'-P-C4' energy: -69.396 flat angles P-C4'-P energy: -40.299 tors. eta vs tors. theta energy: -34.574 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: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -626.829189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.829189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.829189 (E_RNA) where: Base-Base interactions energy: -339.520 where: short stacking energy: -175.570 Base-Backbone interact. energy: -1.396 local terms energy: -285.912975 where: bonds (distance) C4'-P energy: -68.448 bonds (distance) P-C4' energy: -74.833 flat angles C4'-P-C4' energy: -63.536 flat angles P-C4'-P energy: -39.153 tors. eta vs tors. theta energy: -39.943 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: 8, replica: 7 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -499.237979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.237979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.237979 (E_RNA) where: Base-Base interactions energy: -228.935 where: short stacking energy: -135.430 Base-Backbone interact. energy: -0.924 local terms energy: -269.379257 where: bonds (distance) C4'-P energy: -66.148 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -79.078 flat angles P-C4'-P energy: -43.715 tors. eta vs tors. theta energy: -19.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -341.944385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.944385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.944385 (E_RNA) where: Base-Base interactions energy: -125.522 where: short stacking energy: -77.223 Base-Backbone interact. energy: -0.434 local terms energy: -215.988244 where: bonds (distance) C4'-P energy: -66.448 bonds (distance) P-C4' energy: -70.650 flat angles C4'-P-C4' energy: -51.387 flat angles P-C4'-P energy: -33.288 tors. eta vs tors. theta energy: 5.784 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: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -338.776537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.776537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.776537 (E_RNA) where: Base-Base interactions energy: -121.698 where: short stacking energy: -106.166 Base-Backbone interact. energy: -1.723 local terms energy: -215.355261 where: bonds (distance) C4'-P energy: -72.918 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -65.354 flat angles P-C4'-P energy: -26.553 tors. eta vs tors. theta energy: 11.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1337.179018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.179018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.179018 (E_RNA) where: Base-Base interactions energy: -915.266 where: short stacking energy: -385.996 Base-Backbone interact. energy: -0.184 local terms energy: -421.728426 where: bonds (distance) C4'-P energy: -81.128 bonds (distance) P-C4' energy: -84.306 flat angles C4'-P-C4' energy: -81.165 flat angles P-C4'-P energy: -67.691 tors. eta vs tors. theta energy: -107.438 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: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1214.037766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.037766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.037766 (E_RNA) where: Base-Base interactions energy: -803.707 where: short stacking energy: -347.751 Base-Backbone interact. energy: -1.008 local terms energy: -409.323192 where: bonds (distance) C4'-P energy: -73.505 bonds (distance) P-C4' energy: -73.722 flat angles C4'-P-C4' energy: -98.100 flat angles P-C4'-P energy: -60.338 tors. eta vs tors. theta energy: -103.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1215.794505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.794505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.794505 (E_RNA) where: Base-Base interactions energy: -801.302 where: short stacking energy: -330.160 Base-Backbone interact. energy: -1.528 local terms energy: -412.963796 where: bonds (distance) C4'-P energy: -78.396 bonds (distance) P-C4' energy: -77.605 flat angles C4'-P-C4' energy: -92.401 flat angles P-C4'-P energy: -67.511 tors. eta vs tors. theta energy: -97.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1052.567625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.567625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.567625 (E_RNA) where: Base-Base interactions energy: -705.982 where: short stacking energy: -319.291 Base-Backbone interact. energy: -1.043 local terms energy: -345.542563 where: bonds (distance) C4'-P energy: -63.526 bonds (distance) P-C4' energy: -54.171 flat angles C4'-P-C4' energy: -84.807 flat angles P-C4'-P energy: -56.707 tors. eta vs tors. theta energy: -86.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -905.548157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.548157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.548157 (E_RNA) where: Base-Base interactions energy: -568.352 where: short stacking energy: -252.460 Base-Backbone interact. energy: -0.884 local terms energy: -336.312673 where: bonds (distance) C4'-P energy: -62.907 bonds (distance) P-C4' energy: -76.877 flat angles C4'-P-C4' energy: -83.825 flat angles P-C4'-P energy: -47.422 tors. eta vs tors. theta energy: -65.281 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: 102 Temperature: 1.150000 Total energy: -624.113295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.113295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.113295 (E_RNA) where: Base-Base interactions energy: -328.618 where: short stacking energy: -170.228 Base-Backbone interact. energy: -1.164 local terms energy: -294.331492 where: bonds (distance) C4'-P energy: -72.001 bonds (distance) P-C4' energy: -65.424 flat angles C4'-P-C4' energy: -72.952 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -37.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -614.484926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.484926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.484926 (E_RNA) where: Base-Base interactions energy: -329.600 where: short stacking energy: -186.782 Base-Backbone interact. energy: -0.521 local terms energy: -284.363653 where: bonds (distance) C4'-P energy: -79.574 bonds (distance) P-C4' energy: -56.881 flat angles C4'-P-C4' energy: -77.537 flat angles P-C4'-P energy: -39.500 tors. eta vs tors. theta energy: -30.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -484.896716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.896716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.896716 (E_RNA) where: Base-Base interactions energy: -229.691 where: short stacking energy: -125.455 Base-Backbone interact. energy: -0.323 local terms energy: -254.882557 where: bonds (distance) C4'-P energy: -74.525 bonds (distance) P-C4' energy: -63.918 flat angles C4'-P-C4' energy: -75.793 flat angles P-C4'-P energy: -43.037 tors. eta vs tors. theta energy: 2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -328.780375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.780375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.780375 (E_RNA) where: Base-Base interactions energy: -113.806 where: short stacking energy: -102.581 Base-Backbone interact. energy: 2.518 local terms energy: -217.492331 where: bonds (distance) C4'-P energy: -63.135 bonds (distance) P-C4' energy: -78.962 flat angles C4'-P-C4' energy: -48.187 flat angles P-C4'-P energy: -34.868 tors. eta vs tors. theta energy: 7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -311.755572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.755572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.755572 (E_RNA) where: Base-Base interactions energy: -115.641 where: short stacking energy: -86.895 Base-Backbone interact. energy: 0.445 local terms energy: -196.559171 where: bonds (distance) C4'-P energy: -58.000 bonds (distance) P-C4' energy: -82.478 flat angles C4'-P-C4' energy: -51.390 flat angles P-C4'-P energy: -22.223 tors. eta vs tors. theta energy: 17.532 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: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1313.511432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.511432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.511432 (E_RNA) where: Base-Base interactions energy: -903.809 where: short stacking energy: -391.044 Base-Backbone interact. energy: 0.377 local terms energy: -410.078724 where: bonds (distance) C4'-P energy: -75.651 bonds (distance) P-C4' energy: -74.979 flat angles C4'-P-C4' energy: -86.292 flat angles P-C4'-P energy: -61.349 tors. eta vs tors. theta energy: -111.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1254.255693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.255693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.255693 (E_RNA) where: Base-Base interactions energy: -843.809 where: short stacking energy: -340.626 Base-Backbone interact. energy: -2.178 local terms energy: -408.269555 where: bonds (distance) C4'-P energy: -82.200 bonds (distance) P-C4' energy: -71.003 flat angles C4'-P-C4' energy: -87.269 flat angles P-C4'-P energy: -59.016 tors. eta vs tors. theta energy: -108.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1166.683457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.683457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.683457 (E_RNA) where: Base-Base interactions energy: -779.471 where: short stacking energy: -359.429 Base-Backbone interact. energy: 0.394 local terms energy: -387.605912 where: bonds (distance) C4'-P energy: -71.674 bonds (distance) P-C4' energy: -69.970 flat angles C4'-P-C4' energy: -84.324 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -105.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1058.226939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.226939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.226939 (E_RNA) where: Base-Base interactions energy: -709.145 where: short stacking energy: -306.713 Base-Backbone interact. energy: -2.544 local terms energy: -346.538015 where: bonds (distance) C4'-P energy: -78.462 bonds (distance) P-C4' energy: -68.321 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -48.170 tors. eta vs tors. theta energy: -76.582 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: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -928.736348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.736348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.736348 (E_RNA) where: Base-Base interactions energy: -623.385 where: short stacking energy: -270.300 Base-Backbone interact. energy: -0.669 local terms energy: -304.682140 where: bonds (distance) C4'-P energy: -56.912 bonds (distance) P-C4' energy: -60.067 flat angles C4'-P-C4' energy: -78.764 flat angles P-C4'-P energy: -36.707 tors. eta vs tors. theta energy: -72.233 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: 103 Temperature: 1.150000 Total energy: -673.055618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.055618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.055618 (E_RNA) where: Base-Base interactions energy: -392.563 where: short stacking energy: -206.482 Base-Backbone interact. energy: -0.048 local terms energy: -280.444753 where: bonds (distance) C4'-P energy: -49.897 bonds (distance) P-C4' energy: -73.723 flat angles C4'-P-C4' energy: -75.643 flat angles P-C4'-P energy: -43.190 tors. eta vs tors. theta energy: -37.992 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: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -598.539076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.539076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.539076 (E_RNA) where: Base-Base interactions energy: -323.304 where: short stacking energy: -169.725 Base-Backbone interact. energy: 3.706 local terms energy: -278.940758 where: bonds (distance) C4'-P energy: -72.498 bonds (distance) P-C4' energy: -55.850 flat angles C4'-P-C4' energy: -69.687 flat angles P-C4'-P energy: -40.261 tors. eta vs tors. theta energy: -40.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -466.313070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.313070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.313070 (E_RNA) where: Base-Base interactions energy: -220.841 where: short stacking energy: -126.775 Base-Backbone interact. energy: 4.532 local terms energy: -250.004420 where: bonds (distance) C4'-P energy: -65.304 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -70.149 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: -8.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -381.216086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.216086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.216086 (E_RNA) where: Base-Base interactions energy: -124.193 where: short stacking energy: -99.338 Base-Backbone interact. energy: -0.027 local terms energy: -256.996180 where: bonds (distance) C4'-P energy: -83.786 bonds (distance) P-C4' energy: -70.235 flat angles C4'-P-C4' energy: -68.827 flat angles P-C4'-P energy: -40.048 tors. eta vs tors. theta energy: 5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -299.029769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.029769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.029769 (E_RNA) where: Base-Base interactions energy: -90.334 where: short stacking energy: -73.192 Base-Backbone interact. energy: -0.483 local terms energy: -208.213501 where: bonds (distance) C4'-P energy: -54.275 bonds (distance) P-C4' energy: -72.214 flat angles C4'-P-C4' energy: -70.090 flat angles P-C4'-P energy: -32.043 tors. eta vs tors. theta energy: 20.408 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: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1309.589517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.589517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.589517 (E_RNA) where: Base-Base interactions energy: -897.659 where: short stacking energy: -372.362 Base-Backbone interact. energy: -0.363 local terms energy: -411.567618 where: bonds (distance) C4'-P energy: -71.707 bonds (distance) P-C4' energy: -77.176 flat angles C4'-P-C4' energy: -86.746 flat angles P-C4'-P energy: -62.642 tors. eta vs tors. theta energy: -113.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1300.162415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.162415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.162415 (E_RNA) where: Base-Base interactions energy: -880.491 where: short stacking energy: -370.030 Base-Backbone interact. energy: -2.297 local terms energy: -417.375213 where: bonds (distance) C4'-P energy: -75.900 bonds (distance) P-C4' energy: -83.637 flat angles C4'-P-C4' energy: -83.293 flat angles P-C4'-P energy: -66.781 tors. eta vs tors. theta energy: -107.764 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: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1190.333230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.333230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.333230 (E_RNA) where: Base-Base interactions energy: -788.093 where: short stacking energy: -364.631 Base-Backbone interact. energy: 0.447 local terms energy: -402.687352 where: bonds (distance) C4'-P energy: -68.521 bonds (distance) P-C4' energy: -79.193 flat angles C4'-P-C4' energy: -89.710 flat angles P-C4'-P energy: -51.951 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: 4, replica: 8 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1060.080447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.080447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.080447 (E_RNA) where: Base-Base interactions energy: -700.511 where: short stacking energy: -329.080 Base-Backbone interact. energy: -1.114 local terms energy: -358.456159 where: bonds (distance) C4'-P energy: -53.130 bonds (distance) P-C4' energy: -79.848 flat angles C4'-P-C4' energy: -78.961 flat angles P-C4'-P energy: -56.111 tors. eta vs tors. theta energy: -90.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -936.705103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.705103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.705103 (E_RNA) where: Base-Base interactions energy: -610.652 where: short stacking energy: -271.248 Base-Backbone interact. energy: -1.666 local terms energy: -324.388001 where: bonds (distance) C4'-P energy: -70.458 bonds (distance) P-C4' energy: -60.853 flat angles C4'-P-C4' energy: -72.911 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -75.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -685.567148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.567148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.567148 (E_RNA) where: Base-Base interactions energy: -392.054 where: short stacking energy: -208.707 Base-Backbone interact. energy: 0.840 local terms energy: -294.353041 where: bonds (distance) C4'-P energy: -78.170 bonds (distance) P-C4' energy: -66.614 flat angles C4'-P-C4' energy: -80.546 flat angles P-C4'-P energy: -32.232 tors. eta vs tors. theta energy: -36.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -610.408580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.408580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.408580 (E_RNA) where: Base-Base interactions energy: -335.552 where: short stacking energy: -181.776 Base-Backbone interact. energy: -1.798 local terms energy: -273.057801 where: bonds (distance) C4'-P energy: -57.750 bonds (distance) P-C4' energy: -87.113 flat angles C4'-P-C4' energy: -67.200 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -14.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -507.398480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.398480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.398480 (E_RNA) where: Base-Base interactions energy: -255.659 where: short stacking energy: -135.622 Base-Backbone interact. energy: -1.176 local terms energy: -250.563620 where: bonds (distance) C4'-P energy: -54.981 bonds (distance) P-C4' energy: -81.142 flat angles C4'-P-C4' energy: -65.922 flat angles P-C4'-P energy: -38.348 tors. eta vs tors. theta energy: -10.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -332.669348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.669348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.669348 (E_RNA) where: Base-Base interactions energy: -125.109 where: short stacking energy: -103.085 Base-Backbone interact. energy: -0.500 local terms energy: -207.060888 where: bonds (distance) C4'-P energy: -51.439 bonds (distance) P-C4' energy: -67.659 flat angles C4'-P-C4' energy: -59.412 flat angles P-C4'-P energy: -29.686 tors. eta vs tors. theta energy: 1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -296.604684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.604684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.604684 (E_RNA) where: Base-Base interactions energy: -87.294 where: short stacking energy: -62.690 Base-Backbone interact. energy: 0.184 local terms energy: -209.494825 where: bonds (distance) C4'-P energy: -76.059 bonds (distance) P-C4' energy: -76.138 flat angles C4'-P-C4' energy: -46.383 flat angles P-C4'-P energy: -32.021 tors. eta vs tors. theta energy: 21.107 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: 6 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1307.488864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.488864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.488864 (E_RNA) where: Base-Base interactions energy: -896.553 where: short stacking energy: -363.886 Base-Backbone interact. energy: -1.069 local terms energy: -409.865971 where: bonds (distance) C4'-P energy: -76.753 bonds (distance) P-C4' energy: -86.725 flat angles C4'-P-C4' energy: -85.169 flat angles P-C4'-P energy: -52.271 tors. eta vs tors. theta energy: -108.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1276.468372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.468372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.468372 (E_RNA) where: Base-Base interactions energy: -847.449 where: short stacking energy: -371.965 Base-Backbone interact. energy: -2.760 local terms energy: -426.258831 where: bonds (distance) C4'-P energy: -86.035 bonds (distance) P-C4' energy: -73.694 flat angles C4'-P-C4' energy: -93.804 flat angles P-C4'-P energy: -63.570 tors. eta vs tors. theta energy: -109.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1196.451133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.451133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.451133 (E_RNA) where: Base-Base interactions energy: -783.268 where: short stacking energy: -375.155 Base-Backbone interact. energy: -1.538 local terms energy: -411.644772 where: bonds (distance) C4'-P energy: -75.074 bonds (distance) P-C4' energy: -76.150 flat angles C4'-P-C4' energy: -89.186 flat angles P-C4'-P energy: -61.055 tors. eta vs tors. theta energy: -110.180 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: 8 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1066.656188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.656188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.656188 (E_RNA) where: Base-Base interactions energy: -689.236 where: short stacking energy: -306.393 Base-Backbone interact. energy: -2.544 local terms energy: -374.876880 where: bonds (distance) C4'-P energy: -82.036 bonds (distance) P-C4' energy: -80.908 flat angles C4'-P-C4' energy: -72.971 flat angles P-C4'-P energy: -52.040 tors. eta vs tors. theta energy: -86.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -908.088825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.088825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.088825 (E_RNA) where: Base-Base interactions energy: -573.186 where: short stacking energy: -262.855 Base-Backbone interact. energy: -1.787 local terms energy: -333.115154 where: bonds (distance) C4'-P energy: -69.344 bonds (distance) P-C4' energy: -75.087 flat angles C4'-P-C4' energy: -78.622 flat angles P-C4'-P energy: -35.870 tors. eta vs tors. theta energy: -74.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -675.651178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.651178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.651178 (E_RNA) where: Base-Base interactions energy: -383.733 where: short stacking energy: -187.867 Base-Backbone interact. energy: 1.701 local terms energy: -293.619383 where: bonds (distance) C4'-P energy: -69.496 bonds (distance) P-C4' energy: -83.880 flat angles C4'-P-C4' energy: -61.535 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -38.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -608.181656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.181656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.181656 (E_RNA) where: Base-Base interactions energy: -310.562 where: short stacking energy: -160.815 Base-Backbone interact. energy: -1.487 local terms energy: -296.133055 where: bonds (distance) C4'-P energy: -71.800 bonds (distance) P-C4' energy: -71.177 flat angles C4'-P-C4' energy: -78.473 flat angles P-C4'-P energy: -47.061 tors. eta vs tors. theta energy: -27.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -446.338561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.338561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.338561 (E_RNA) where: Base-Base interactions energy: -207.403 where: short stacking energy: -110.341 Base-Backbone interact. energy: 0.190 local terms energy: -239.125034 where: bonds (distance) C4'-P energy: -69.157 bonds (distance) P-C4' energy: -72.604 flat angles C4'-P-C4' energy: -61.292 flat angles P-C4'-P energy: -42.748 tors. eta vs tors. theta energy: 6.677 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: 105 Temperature: 1.300000 Total energy: -336.878676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.878676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.878676 (E_RNA) where: Base-Base interactions energy: -100.674 where: short stacking energy: -88.412 Base-Backbone interact. energy: -1.790 local terms energy: -234.414897 where: bonds (distance) C4'-P energy: -83.496 bonds (distance) P-C4' energy: -76.233 flat angles C4'-P-C4' energy: -50.169 flat angles P-C4'-P energy: -35.469 tors. eta vs tors. theta energy: 10.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -307.764334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.764334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.764334 (E_RNA) where: Base-Base interactions energy: -99.158 where: short stacking energy: -92.386 Base-Backbone interact. energy: -1.048 local terms energy: -207.558043 where: bonds (distance) C4'-P energy: -61.204 bonds (distance) P-C4' energy: -65.481 flat angles C4'-P-C4' energy: -60.470 flat angles P-C4'-P energy: -32.447 tors. eta vs tors. theta energy: 12.044 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: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1293.679131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.679131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.679131 (E_RNA) where: Base-Base interactions energy: -860.167 where: short stacking energy: -346.542 Base-Backbone interact. energy: -3.439 local terms energy: -430.072608 where: bonds (distance) C4'-P energy: -79.165 bonds (distance) P-C4' energy: -87.690 flat angles C4'-P-C4' energy: -91.229 flat angles P-C4'-P energy: -65.866 tors. eta vs tors. theta energy: -106.123 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: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1264.538689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.538689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.538689 (E_RNA) where: Base-Base interactions energy: -857.531 where: short stacking energy: -361.766 Base-Backbone interact. energy: 2.179 local terms energy: -409.186225 where: bonds (distance) C4'-P energy: -79.626 bonds (distance) P-C4' energy: -80.976 flat angles C4'-P-C4' energy: -86.788 flat angles P-C4'-P energy: -55.910 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1210.938534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.938534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.938534 (E_RNA) where: Base-Base interactions energy: -796.156 where: short stacking energy: -339.463 Base-Backbone interact. energy: -1.184 local terms energy: -413.598785 where: bonds (distance) C4'-P energy: -72.476 bonds (distance) P-C4' energy: -84.620 flat angles C4'-P-C4' energy: -86.798 flat angles P-C4'-P energy: -57.882 tors. eta vs tors. theta energy: -111.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1022.168984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.168984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.168984 (E_RNA) where: Base-Base interactions energy: -673.194 where: short stacking energy: -286.049 Base-Backbone interact. energy: -3.297 local terms energy: -345.678447 where: bonds (distance) C4'-P energy: -76.578 bonds (distance) P-C4' energy: -64.306 flat angles C4'-P-C4' energy: -65.601 flat angles P-C4'-P energy: -52.227 tors. eta vs tors. theta energy: -86.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -902.527748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.527748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.527748 (E_RNA) where: Base-Base interactions energy: -575.096 where: short stacking energy: -264.706 Base-Backbone interact. energy: -1.698 local terms energy: -325.733892 where: bonds (distance) C4'-P energy: -78.309 bonds (distance) P-C4' energy: -53.550 flat angles C4'-P-C4' energy: -76.844 flat angles P-C4'-P energy: -54.271 tors. eta vs tors. theta energy: -62.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -655.742561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.742561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.742561 (E_RNA) where: Base-Base interactions energy: -358.753 where: short stacking energy: -203.523 Base-Backbone interact. energy: -2.791 local terms energy: -294.198461 where: bonds (distance) C4'-P energy: -70.954 bonds (distance) P-C4' energy: -75.197 flat angles C4'-P-C4' energy: -61.000 flat angles P-C4'-P energy: -49.081 tors. eta vs tors. theta energy: -37.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -634.116126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.116126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.116126 (E_RNA) where: Base-Base interactions energy: -365.552 where: short stacking energy: -196.784 Base-Backbone interact. energy: 3.155 local terms energy: -271.719102 where: bonds (distance) C4'-P energy: -62.749 bonds (distance) P-C4' energy: -66.328 flat angles C4'-P-C4' energy: -71.530 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -22.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -406.825070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.825070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.825070 (E_RNA) where: Base-Base interactions energy: -166.629 where: short stacking energy: -116.275 Base-Backbone interact. energy: 0.419 local terms energy: -240.614696 where: bonds (distance) C4'-P energy: -64.764 bonds (distance) P-C4' energy: -66.310 flat angles C4'-P-C4' energy: -60.097 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -6.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -350.646045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.646045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.646045 (E_RNA) where: Base-Base interactions energy: -125.277 where: short stacking energy: -92.301 Base-Backbone interact. energy: -1.423 local terms energy: -223.945961 where: bonds (distance) C4'-P energy: -64.434 bonds (distance) P-C4' energy: -63.962 flat angles C4'-P-C4' energy: -59.831 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: 6.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -297.906400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.906400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.906400 (E_RNA) where: Base-Base interactions energy: -92.409 where: short stacking energy: -83.138 Base-Backbone interact. energy: 0.630 local terms energy: -206.126601 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -73.266 flat angles C4'-P-C4' energy: -43.282 flat angles P-C4'-P energy: -36.619 tors. eta vs tors. theta energy: 16.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1283.271915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.271915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.271915 (E_RNA) where: Base-Base interactions energy: -884.670 where: short stacking energy: -359.559 Base-Backbone interact. energy: 1.738 local terms energy: -400.340171 where: bonds (distance) C4'-P energy: -81.311 bonds (distance) P-C4' energy: -82.105 flat angles C4'-P-C4' energy: -85.051 flat angles P-C4'-P energy: -54.106 tors. eta vs tors. theta energy: -97.768 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: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1223.883420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.883420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.883420 (E_RNA) where: Base-Base interactions energy: -813.171 where: short stacking energy: -371.970 Base-Backbone interact. energy: -1.399 local terms energy: -409.313184 where: bonds (distance) C4'-P energy: -68.579 bonds (distance) P-C4' energy: -84.353 flat angles C4'-P-C4' energy: -89.558 flat angles P-C4'-P energy: -55.928 tors. eta vs tors. theta energy: -110.896 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: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1209.249541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.249541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.249541 (E_RNA) where: Base-Base interactions energy: -804.903 where: short stacking energy: -353.040 Base-Backbone interact. energy: -2.865 local terms energy: -401.481775 where: bonds (distance) C4'-P energy: -78.395 bonds (distance) P-C4' energy: -68.874 flat angles C4'-P-C4' energy: -82.891 flat angles P-C4'-P energy: -61.767 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: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1034.797826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.797826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.797826 (E_RNA) where: Base-Base interactions energy: -680.246 where: short stacking energy: -301.877 Base-Backbone interact. energy: -2.924 local terms energy: -351.628472 where: bonds (distance) C4'-P energy: -72.706 bonds (distance) P-C4' energy: -67.630 flat angles C4'-P-C4' energy: -75.157 flat angles P-C4'-P energy: -47.810 tors. eta vs tors. theta energy: -88.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -880.019945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.019945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.019945 (E_RNA) where: Base-Base interactions energy: -554.920 where: short stacking energy: -251.322 Base-Backbone interact. energy: -1.011 local terms energy: -324.088759 where: bonds (distance) C4'-P energy: -67.851 bonds (distance) P-C4' energy: -83.390 flat angles C4'-P-C4' energy: -68.588 flat angles P-C4'-P energy: -49.001 tors. eta vs tors. theta energy: -55.259 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: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -683.728935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.728935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.728935 (E_RNA) where: Base-Base interactions energy: -407.333 where: short stacking energy: -196.089 Base-Backbone interact. energy: -4.697 local terms energy: -271.698646 where: bonds (distance) C4'-P energy: -59.782 bonds (distance) P-C4' energy: -68.794 flat angles C4'-P-C4' energy: -71.880 flat angles P-C4'-P energy: -37.451 tors. eta vs tors. theta energy: -33.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -662.079398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.079398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.079398 (E_RNA) where: Base-Base interactions energy: -366.202 where: short stacking energy: -179.684 Base-Backbone interact. energy: -1.417 local terms energy: -294.460923 where: bonds (distance) C4'-P energy: -71.144 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -55.264 flat angles P-C4'-P energy: -55.518 tors. eta vs tors. theta energy: -47.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -384.697893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.697893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.697893 (E_RNA) where: Base-Base interactions energy: -137.710 where: short stacking energy: -130.336 Base-Backbone interact. energy: -2.082 local terms energy: -244.905525 where: bonds (distance) C4'-P energy: -65.694 bonds (distance) P-C4' energy: -64.884 flat angles C4'-P-C4' energy: -59.862 flat angles P-C4'-P energy: -30.295 tors. eta vs tors. theta energy: -24.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -340.440392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.440392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.440392 (E_RNA) where: Base-Base interactions energy: -119.790 where: short stacking energy: -96.623 Base-Backbone interact. energy: 2.475 local terms energy: -223.125079 where: bonds (distance) C4'-P energy: -72.769 bonds (distance) P-C4' energy: -73.637 flat angles C4'-P-C4' energy: -51.602 flat angles P-C4'-P energy: -45.324 tors. eta vs tors. theta energy: 20.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -306.565909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.565909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.565909 (E_RNA) where: Base-Base interactions energy: -95.815 where: short stacking energy: -74.125 Base-Backbone interact. energy: -0.865 local terms energy: -209.886674 where: bonds (distance) C4'-P energy: -57.253 bonds (distance) P-C4' energy: -70.129 flat angles C4'-P-C4' energy: -55.045 flat angles P-C4'-P energy: -32.525 tors. eta vs tors. theta energy: 5.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1277.416235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.416235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.416235 (E_RNA) where: Base-Base interactions energy: -860.091 where: short stacking energy: -356.514 Base-Backbone interact. energy: -3.807 local terms energy: -413.518843 where: bonds (distance) C4'-P energy: -78.802 bonds (distance) P-C4' energy: -83.653 flat angles C4'-P-C4' energy: -89.347 flat angles P-C4'-P energy: -58.722 tors. eta vs tors. theta energy: -102.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1215.307928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.307928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.307928 (E_RNA) where: Base-Base interactions energy: -800.029 where: short stacking energy: -360.097 Base-Backbone interact. energy: 0.714 local terms energy: -415.993275 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -86.980 flat angles C4'-P-C4' energy: -91.816 flat angles P-C4'-P energy: -51.582 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: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1165.521994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.521994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.521994 (E_RNA) where: Base-Base interactions energy: -803.485 where: short stacking energy: -353.412 Base-Backbone interact. energy: -1.885 local terms energy: -360.151731 where: bonds (distance) C4'-P energy: -61.367 bonds (distance) P-C4' energy: -74.569 flat angles C4'-P-C4' energy: -74.510 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -103.089 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: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1058.428139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.428139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.428139 (E_RNA) where: Base-Base interactions energy: -700.885 where: short stacking energy: -313.657 Base-Backbone interact. energy: 0.876 local terms energy: -358.419259 where: bonds (distance) C4'-P energy: -80.305 bonds (distance) P-C4' energy: -71.988 flat angles C4'-P-C4' energy: -75.710 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -93.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -890.013289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.013289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.013289 (E_RNA) where: Base-Base interactions energy: -587.206 where: short stacking energy: -275.821 Base-Backbone interact. energy: -1.226 local terms energy: -301.581486 where: bonds (distance) C4'-P energy: -66.813 bonds (distance) P-C4' energy: -73.640 flat angles C4'-P-C4' energy: -51.199 flat angles P-C4'-P energy: -41.724 tors. eta vs tors. theta energy: -68.206 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: 108 Temperature: 1.150000 Total energy: -699.999999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.999999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.999999 (E_RNA) where: Base-Base interactions energy: -436.265 where: short stacking energy: -195.533 Base-Backbone interact. energy: -2.030 local terms energy: -261.705191 where: bonds (distance) C4'-P energy: -66.779 bonds (distance) P-C4' energy: -54.778 flat angles C4'-P-C4' energy: -66.399 flat angles P-C4'-P energy: -45.382 tors. eta vs tors. theta energy: -28.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -748.093744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.093744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.093744 (E_RNA) where: Base-Base interactions energy: -423.855 where: short stacking energy: -220.870 Base-Backbone interact. energy: -0.946 local terms energy: -323.292861 where: bonds (distance) C4'-P energy: -74.054 bonds (distance) P-C4' energy: -82.638 flat angles C4'-P-C4' energy: -70.036 flat angles P-C4'-P energy: -44.502 tors. eta vs tors. theta energy: -52.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -366.660753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.660753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.660753 (E_RNA) where: Base-Base interactions energy: -135.477 where: short stacking energy: -101.761 Base-Backbone interact. energy: 0.293 local terms energy: -231.476877 where: bonds (distance) C4'-P energy: -66.018 bonds (distance) P-C4' energy: -77.830 flat angles C4'-P-C4' energy: -58.645 flat angles P-C4'-P energy: -42.716 tors. eta vs tors. theta energy: 13.732 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: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -388.615343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.615343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.615343 (E_RNA) where: Base-Base interactions energy: -169.949 where: short stacking energy: -114.124 Base-Backbone interact. energy: 3.378 local terms energy: -222.043993 where: bonds (distance) C4'-P energy: -57.908 bonds (distance) P-C4' energy: -73.985 flat angles C4'-P-C4' energy: -44.850 flat angles P-C4'-P energy: -35.058 tors. eta vs tors. theta energy: -10.244 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: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -327.761322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.761322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.761322 (E_RNA) where: Base-Base interactions energy: -116.489 where: short stacking energy: -107.508 Base-Backbone interact. energy: -1.562 local terms energy: -209.710272 where: bonds (distance) C4'-P energy: -56.423 bonds (distance) P-C4' energy: -79.294 flat angles C4'-P-C4' energy: -41.706 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: 2.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1281.431887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.431887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.431887 (E_RNA) where: Base-Base interactions energy: -869.054 where: short stacking energy: -354.145 Base-Backbone interact. energy: -3.525 local terms energy: -408.853473 where: bonds (distance) C4'-P energy: -73.673 bonds (distance) P-C4' energy: -78.595 flat angles C4'-P-C4' energy: -99.138 flat angles P-C4'-P energy: -52.866 tors. eta vs tors. theta energy: -104.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1236.857360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.857360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.857360 (E_RNA) where: Base-Base interactions energy: -820.731 where: short stacking energy: -341.370 Base-Backbone interact. energy: -1.335 local terms energy: -414.790586 where: bonds (distance) C4'-P energy: -74.331 bonds (distance) P-C4' energy: -78.198 flat angles C4'-P-C4' energy: -77.163 flat angles P-C4'-P energy: -71.974 tors. eta vs tors. theta energy: -113.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1193.193533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.193533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.193533 (E_RNA) where: Base-Base interactions energy: -813.677 where: short stacking energy: -324.935 Base-Backbone interact. energy: -1.713 local terms energy: -377.803430 where: bonds (distance) C4'-P energy: -90.192 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -70.897 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: -92.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1114.024856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.024856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.024856 (E_RNA) where: Base-Base interactions energy: -752.540 where: short stacking energy: -321.243 Base-Backbone interact. energy: -0.868 local terms energy: -360.617328 where: bonds (distance) C4'-P energy: -69.993 bonds (distance) P-C4' energy: -66.367 flat angles C4'-P-C4' energy: -80.993 flat angles P-C4'-P energy: -58.033 tors. eta vs tors. theta energy: -85.231 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: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -765.373679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.373679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.373679 (E_RNA) where: Base-Base interactions energy: -462.652 where: short stacking energy: -223.604 Base-Backbone interact. energy: -1.344 local terms energy: -301.377913 where: bonds (distance) C4'-P energy: -58.199 bonds (distance) P-C4' energy: -79.699 flat angles C4'-P-C4' energy: -62.972 flat angles P-C4'-P energy: -45.215 tors. eta vs tors. theta energy: -55.292 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: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -758.914223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.914223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.914223 (E_RNA) where: Base-Base interactions energy: -451.834 where: short stacking energy: -207.785 Base-Backbone interact. energy: -1.966 local terms energy: -305.114639 where: bonds (distance) C4'-P energy: -53.329 bonds (distance) P-C4' energy: -83.428 flat angles C4'-P-C4' energy: -76.819 flat angles P-C4'-P energy: -54.094 tors. eta vs tors. theta energy: -37.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -729.302841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.302841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.302841 (E_RNA) where: Base-Base interactions energy: -428.755 where: short stacking energy: -196.656 Base-Backbone interact. energy: -0.592 local terms energy: -299.955844 where: bonds (distance) C4'-P energy: -76.241 bonds (distance) P-C4' energy: -74.481 flat angles C4'-P-C4' energy: -62.098 flat angles P-C4'-P energy: -33.351 tors. eta vs tors. theta energy: -53.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -374.691822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.691822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.691822 (E_RNA) where: Base-Base interactions energy: -141.430 where: short stacking energy: -100.141 Base-Backbone interact. energy: 4.283 local terms energy: -237.545032 where: bonds (distance) C4'-P energy: -67.442 bonds (distance) P-C4' energy: -76.019 flat angles C4'-P-C4' energy: -64.526 flat angles P-C4'-P energy: -38.660 tors. eta vs tors. theta energy: 9.102 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: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -360.458675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.458675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.458675 (E_RNA) where: Base-Base interactions energy: -122.681 where: short stacking energy: -95.039 Base-Backbone interact. energy: -2.114 local terms energy: -235.664011 where: bonds (distance) C4'-P energy: -64.026 bonds (distance) P-C4' energy: -84.143 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: 20.135 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: 109 Temperature: 1.350000 Total energy: -308.653293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.653293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.653293 (E_RNA) where: Base-Base interactions energy: -97.376 where: short stacking energy: -72.963 Base-Backbone interact. energy: -0.847 local terms energy: -210.430361 where: bonds (distance) C4'-P energy: -70.926 bonds (distance) P-C4' energy: -69.202 flat angles C4'-P-C4' energy: -47.417 flat angles P-C4'-P energy: -37.646 tors. eta vs tors. theta energy: 14.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1274.243767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.243767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.243767 (E_RNA) where: Base-Base interactions energy: -866.381 where: short stacking energy: -372.464 Base-Backbone interact. energy: -0.299 local terms energy: -407.564535 where: bonds (distance) C4'-P energy: -81.015 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -90.488 flat angles P-C4'-P energy: -58.052 tors. eta vs tors. theta energy: -111.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1243.208377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.208377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.208377 (E_RNA) where: Base-Base interactions energy: -830.786 where: short stacking energy: -364.063 Base-Backbone interact. energy: -3.053 local terms energy: -409.369336 where: bonds (distance) C4'-P energy: -74.813 bonds (distance) P-C4' energy: -69.636 flat angles C4'-P-C4' energy: -93.489 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -116.630 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: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1205.250673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.250673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.250673 (E_RNA) where: Base-Base interactions energy: -814.131 where: short stacking energy: -343.119 Base-Backbone interact. energy: -0.856 local terms energy: -390.263943 where: bonds (distance) C4'-P energy: -69.102 bonds (distance) P-C4' energy: -74.055 flat angles C4'-P-C4' energy: -90.639 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -101.388 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: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1083.157880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.157880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.157880 (E_RNA) where: Base-Base interactions energy: -732.708 where: short stacking energy: -290.804 Base-Backbone interact. energy: -0.877 local terms energy: -349.572663 where: bonds (distance) C4'-P energy: -67.577 bonds (distance) P-C4' energy: -81.153 flat angles C4'-P-C4' energy: -67.770 flat angles P-C4'-P energy: -50.692 tors. eta vs tors. theta energy: -82.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -793.847611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.847611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.847611 (E_RNA) where: Base-Base interactions energy: -498.836 where: short stacking energy: -230.153 Base-Backbone interact. energy: -3.025 local terms energy: -291.986574 where: bonds (distance) C4'-P energy: -65.059 bonds (distance) P-C4' energy: -71.872 flat angles C4'-P-C4' energy: -62.575 flat angles P-C4'-P energy: -44.804 tors. eta vs tors. theta energy: -47.676 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: 6, replica: 10 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -812.387673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.387673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.387673 (E_RNA) where: Base-Base interactions energy: -486.647 where: short stacking energy: -244.930 Base-Backbone interact. energy: -4.996 local terms energy: -320.744652 where: bonds (distance) C4'-P energy: -72.539 bonds (distance) P-C4' energy: -68.739 flat angles C4'-P-C4' energy: -78.164 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -58.217 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: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -651.900473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.900473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.900473 (E_RNA) where: Base-Base interactions energy: -375.782 where: short stacking energy: -184.232 Base-Backbone interact. energy: 0.576 local terms energy: -276.694750 where: bonds (distance) C4'-P energy: -68.082 bonds (distance) P-C4' energy: -65.745 flat angles C4'-P-C4' energy: -78.643 flat angles P-C4'-P energy: -33.714 tors. eta vs tors. theta energy: -30.510 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: 110 Temperature: 1.250000 Total energy: -388.360499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.360499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.360499 (E_RNA) where: Base-Base interactions energy: -153.304 where: short stacking energy: -132.975 Base-Backbone interact. energy: -2.372 local terms energy: -232.683951 where: bonds (distance) C4'-P energy: -71.157 bonds (distance) P-C4' energy: -56.651 flat angles C4'-P-C4' energy: -56.861 flat angles P-C4'-P energy: -40.624 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -358.499773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.499773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.499773 (E_RNA) where: Base-Base interactions energy: -133.215 where: short stacking energy: -83.347 Base-Backbone interact. energy: 1.428 local terms energy: -226.712383 where: bonds (distance) C4'-P energy: -83.878 bonds (distance) P-C4' energy: -60.737 flat angles C4'-P-C4' energy: -64.816 flat angles P-C4'-P energy: -30.416 tors. eta vs tors. theta energy: 13.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -311.031598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.031598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.031598 (E_RNA) where: Base-Base interactions energy: -83.972 where: short stacking energy: -78.753 Base-Backbone interact. energy: -0.155 local terms energy: -226.904849 where: bonds (distance) C4'-P energy: -63.627 bonds (distance) P-C4' energy: -80.454 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -28.995 tors. eta vs tors. theta energy: 14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1278.693461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.693461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.693461 (E_RNA) where: Base-Base interactions energy: -850.694 where: short stacking energy: -350.740 Base-Backbone interact. energy: -1.286 local terms energy: -426.713989 where: bonds (distance) C4'-P energy: -71.109 bonds (distance) P-C4' energy: -93.848 flat angles C4'-P-C4' energy: -97.399 flat angles P-C4'-P energy: -54.679 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: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1250.795972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.795972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.795972 (E_RNA) where: Base-Base interactions energy: -834.701 where: short stacking energy: -359.009 Base-Backbone interact. energy: -1.065 local terms energy: -415.030836 where: bonds (distance) C4'-P energy: -82.826 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -95.462 flat angles P-C4'-P energy: -58.895 tors. eta vs tors. theta energy: -99.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1213.902094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.902094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.902094 (E_RNA) where: Base-Base interactions energy: -822.138 where: short stacking energy: -361.175 Base-Backbone interact. energy: -2.144 local terms energy: -389.620668 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -81.250 flat angles C4'-P-C4' energy: -75.203 flat angles P-C4'-P energy: -59.447 tors. eta vs tors. theta energy: -110.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1111.217513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.217513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.217513 (E_RNA) where: Base-Base interactions energy: -760.172 where: short stacking energy: -331.128 Base-Backbone interact. energy: -1.342 local terms energy: -349.703537 where: bonds (distance) C4'-P energy: -72.973 bonds (distance) P-C4' energy: -67.116 flat angles C4'-P-C4' energy: -77.523 flat angles P-C4'-P energy: -37.374 tors. eta vs tors. theta energy: -94.718 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: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -870.969391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.969391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.969391 (E_RNA) where: Base-Base interactions energy: -534.797 where: short stacking energy: -248.279 Base-Backbone interact. energy: -2.104 local terms energy: -334.068136 where: bonds (distance) C4'-P energy: -76.929 bonds (distance) P-C4' energy: -77.148 flat angles C4'-P-C4' energy: -73.958 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -60.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -821.871796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.871796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.871796 (E_RNA) where: Base-Base interactions energy: -495.109 where: short stacking energy: -260.775 Base-Backbone interact. energy: -0.854 local terms energy: -325.907875 where: bonds (distance) C4'-P energy: -77.512 bonds (distance) P-C4' energy: -71.717 flat angles C4'-P-C4' energy: -69.008 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: -63.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -655.013276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.013276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.013276 (E_RNA) where: Base-Base interactions energy: -416.834 where: short stacking energy: -157.994 Base-Backbone interact. energy: -1.102 local terms energy: -237.078062 where: bonds (distance) C4'-P energy: -65.817 bonds (distance) P-C4' energy: -70.331 flat angles C4'-P-C4' energy: -55.794 flat angles P-C4'-P energy: -39.394 tors. eta vs tors. theta energy: -5.743 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: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -388.921717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.921717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.921717 (E_RNA) where: Base-Base interactions energy: -151.252 where: short stacking energy: -99.351 Base-Backbone interact. energy: 0.490 local terms energy: -238.160192 where: bonds (distance) C4'-P energy: -80.386 bonds (distance) P-C4' energy: -62.243 flat angles C4'-P-C4' energy: -71.382 flat angles P-C4'-P energy: -28.776 tors. eta vs tors. theta energy: 4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -354.010119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.010119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.010119 (E_RNA) where: Base-Base interactions energy: -116.345 where: short stacking energy: -104.504 Base-Backbone interact. energy: 2.708 local terms energy: -240.372444 where: bonds (distance) C4'-P energy: -60.948 bonds (distance) P-C4' energy: -74.522 flat angles C4'-P-C4' energy: -57.564 flat angles P-C4'-P energy: -40.816 tors. eta vs tors. theta energy: -6.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -321.709497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.709497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.709497 (E_RNA) where: Base-Base interactions energy: -118.510 where: short stacking energy: -97.962 Base-Backbone interact. energy: -1.182 local terms energy: -202.016952 where: bonds (distance) C4'-P energy: -56.580 bonds (distance) P-C4' energy: -71.306 flat angles C4'-P-C4' energy: -63.137 flat angles P-C4'-P energy: -20.104 tors. eta vs tors. theta energy: 9.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1268.769697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.769697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.769697 (E_RNA) where: Base-Base interactions energy: -872.068 where: short stacking energy: -377.217 Base-Backbone interact. energy: -1.392 local terms energy: -395.309063 where: bonds (distance) C4'-P energy: -72.768 bonds (distance) P-C4' energy: -75.273 flat angles C4'-P-C4' energy: -88.497 flat angles P-C4'-P energy: -61.580 tors. eta vs tors. theta energy: -97.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1255.937590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.937590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.937590 (E_RNA) where: Base-Base interactions energy: -854.251 where: short stacking energy: -348.283 Base-Backbone interact. energy: -1.963 local terms energy: -399.723656 where: bonds (distance) C4'-P energy: -76.148 bonds (distance) P-C4' energy: -77.224 flat angles C4'-P-C4' energy: -87.549 flat angles P-C4'-P energy: -55.026 tors. eta vs tors. theta energy: -103.777 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: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1232.685394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.685394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.685394 (E_RNA) where: Base-Base interactions energy: -822.367 where: short stacking energy: -364.617 Base-Backbone interact. energy: -1.109 local terms energy: -409.210054 where: bonds (distance) C4'-P energy: -76.276 bonds (distance) P-C4' energy: -66.918 flat angles C4'-P-C4' energy: -91.017 flat angles P-C4'-P energy: -62.250 tors. eta vs tors. theta energy: -112.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1113.516059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.516059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.516059 (E_RNA) where: Base-Base interactions energy: -754.137 where: short stacking energy: -306.540 Base-Backbone interact. energy: 1.553 local terms energy: -360.931698 where: bonds (distance) C4'-P energy: -74.544 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -73.399 flat angles P-C4'-P energy: -53.794 tors. eta vs tors. theta energy: -81.608 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: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -875.596817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.596817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.596817 (E_RNA) where: Base-Base interactions energy: -518.132 where: short stacking energy: -276.948 Base-Backbone interact. energy: -1.085 local terms energy: -356.380720 where: bonds (distance) C4'-P energy: -70.882 bonds (distance) P-C4' energy: -71.210 flat angles C4'-P-C4' energy: -80.072 flat angles P-C4'-P energy: -58.965 tors. eta vs tors. theta energy: -75.252 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: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -799.193238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.193238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.193238 (E_RNA) where: Base-Base interactions energy: -486.511 where: short stacking energy: -208.556 Base-Backbone interact. energy: -2.273 local terms energy: -310.409154 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -67.043 flat angles C4'-P-C4' energy: -76.428 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: -57.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -650.054570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.054570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.054570 (E_RNA) where: Base-Base interactions energy: -374.767 where: short stacking energy: -188.262 Base-Backbone interact. energy: -2.183 local terms energy: -273.104824 where: bonds (distance) C4'-P energy: -68.355 bonds (distance) P-C4' energy: -79.639 flat angles C4'-P-C4' energy: -62.283 flat angles P-C4'-P energy: -23.760 tors. eta vs tors. theta energy: -39.069 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: 112 Temperature: 1.250000 Total energy: -394.097452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.097452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.097452 (E_RNA) where: Base-Base interactions energy: -144.253 where: short stacking energy: -101.721 Base-Backbone interact. energy: -3.224 local terms energy: -246.620748 where: bonds (distance) C4'-P energy: -72.534 bonds (distance) P-C4' energy: -74.151 flat angles C4'-P-C4' energy: -78.006 flat angles P-C4'-P energy: -42.063 tors. eta vs tors. theta energy: 20.133 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: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -344.632220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.632220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.632220 (E_RNA) where: Base-Base interactions energy: -128.239 where: short stacking energy: -101.989 Base-Backbone interact. energy: -0.094 local terms energy: -216.298455 where: bonds (distance) C4'-P energy: -66.206 bonds (distance) P-C4' energy: -63.213 flat angles C4'-P-C4' energy: -47.250 flat angles P-C4'-P energy: -38.032 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -341.196175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.196175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.196175 (E_RNA) where: Base-Base interactions energy: -127.086 where: short stacking energy: -68.284 Base-Backbone interact. energy: -1.084 local terms energy: -213.025871 where: bonds (distance) C4'-P energy: -77.963 bonds (distance) P-C4' energy: -60.854 flat angles C4'-P-C4' energy: -59.415 flat angles P-C4'-P energy: -32.932 tors. eta vs tors. theta energy: 18.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1304.220026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.220026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.220026 (E_RNA) where: Base-Base interactions energy: -888.732 where: short stacking energy: -379.087 Base-Backbone interact. energy: 2.245 local terms energy: -417.732942 where: bonds (distance) C4'-P energy: -79.280 bonds (distance) P-C4' energy: -75.340 flat angles C4'-P-C4' energy: -89.578 flat angles P-C4'-P energy: -66.406 tors. eta vs tors. theta energy: -107.129 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: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1249.758513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.758513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.758513 (E_RNA) where: Base-Base interactions energy: -877.115 where: short stacking energy: -356.537 Base-Backbone interact. energy: 10.839 local terms energy: -383.482906 where: bonds (distance) C4'-P energy: -81.051 bonds (distance) P-C4' energy: -70.667 flat angles C4'-P-C4' energy: -82.263 flat angles P-C4'-P energy: -45.675 tors. eta vs tors. theta energy: -103.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1247.949579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.949579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.949579 (E_RNA) where: Base-Base interactions energy: -836.353 where: short stacking energy: -364.613 Base-Backbone interact. energy: -2.704 local terms energy: -408.891826 where: bonds (distance) C4'-P energy: -67.354 bonds (distance) P-C4' energy: -78.535 flat angles C4'-P-C4' energy: -88.667 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -118.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1112.764339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.764339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.764339 (E_RNA) where: Base-Base interactions energy: -757.875 where: short stacking energy: -303.947 Base-Backbone interact. energy: -2.138 local terms energy: -352.750963 where: bonds (distance) C4'-P energy: -66.689 bonds (distance) P-C4' energy: -85.339 flat angles C4'-P-C4' energy: -83.932 flat angles P-C4'-P energy: -49.281 tors. eta vs tors. theta energy: -67.510 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: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -865.382325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.382325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.382325 (E_RNA) where: Base-Base interactions energy: -536.960 where: short stacking energy: -229.956 Base-Backbone interact. energy: -3.364 local terms energy: -325.058725 where: bonds (distance) C4'-P energy: -74.067 bonds (distance) P-C4' energy: -79.554 flat angles C4'-P-C4' energy: -70.230 flat angles P-C4'-P energy: -44.097 tors. eta vs tors. theta energy: -57.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -800.730816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.730816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.730816 (E_RNA) where: Base-Base interactions energy: -475.216 where: short stacking energy: -211.821 Base-Backbone interact. energy: -2.117 local terms energy: -323.398509 where: bonds (distance) C4'-P energy: -76.118 bonds (distance) P-C4' energy: -81.724 flat angles C4'-P-C4' energy: -76.895 flat angles P-C4'-P energy: -45.153 tors. eta vs tors. theta energy: -43.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -644.842522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.842522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.842522 (E_RNA) where: Base-Base interactions energy: -387.577 where: short stacking energy: -180.434 Base-Backbone interact. energy: 1.548 local terms energy: -258.813334 where: bonds (distance) C4'-P energy: -64.352 bonds (distance) P-C4' energy: -64.993 flat angles C4'-P-C4' energy: -55.924 flat angles P-C4'-P energy: -46.039 tors. eta vs tors. theta energy: -27.505 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: 113 Temperature: 1.250000 Total energy: -379.474357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.474357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.474357 (E_RNA) where: Base-Base interactions energy: -169.424 where: short stacking energy: -133.790 Base-Backbone interact. energy: -1.776 local terms energy: -208.273871 where: bonds (distance) C4'-P energy: -64.254 bonds (distance) P-C4' energy: -56.657 flat angles C4'-P-C4' energy: -65.423 flat angles P-C4'-P energy: -30.238 tors. eta vs tors. theta energy: 8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -353.936015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.936015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.936015 (E_RNA) where: Base-Base interactions energy: -133.146 where: short stacking energy: -93.846 Base-Backbone interact. energy: 0.978 local terms energy: -221.767192 where: bonds (distance) C4'-P energy: -67.105 bonds (distance) P-C4' energy: -74.174 flat angles C4'-P-C4' energy: -44.823 flat angles P-C4'-P energy: -43.423 tors. eta vs tors. theta energy: 7.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -334.744985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.744985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.744985 (E_RNA) where: Base-Base interactions energy: -136.477 where: short stacking energy: -101.977 Base-Backbone interact. energy: 2.641 local terms energy: -200.909386 where: bonds (distance) C4'-P energy: -58.557 bonds (distance) P-C4' energy: -66.871 flat angles C4'-P-C4' energy: -52.048 flat angles P-C4'-P energy: -32.808 tors. eta vs tors. theta energy: 9.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1313.840074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.840074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.840074 (E_RNA) where: Base-Base interactions energy: -896.293 where: short stacking energy: -369.483 Base-Backbone interact. energy: -2.134 local terms energy: -415.413478 where: bonds (distance) C4'-P energy: -79.668 bonds (distance) P-C4' energy: -86.530 flat angles C4'-P-C4' energy: -84.492 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -110.397 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: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1236.521757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.521757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.521757 (E_RNA) where: Base-Base interactions energy: -855.650 where: short stacking energy: -351.374 Base-Backbone interact. energy: 7.617 local terms energy: -388.489034 where: bonds (distance) C4'-P energy: -72.496 bonds (distance) P-C4' energy: -80.488 flat angles C4'-P-C4' energy: -81.971 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -101.534 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: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1220.205321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.205321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.205321 (E_RNA) where: Base-Base interactions energy: -816.673 where: short stacking energy: -357.699 Base-Backbone interact. energy: -1.691 local terms energy: -401.840569 where: bonds (distance) C4'-P energy: -73.200 bonds (distance) P-C4' energy: -77.003 flat angles C4'-P-C4' energy: -87.484 flat angles P-C4'-P energy: -51.753 tors. eta vs tors. theta energy: -112.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1104.428874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.428874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.428874 (E_RNA) where: Base-Base interactions energy: -753.430 where: short stacking energy: -300.631 Base-Backbone interact. energy: 0.374 local terms energy: -351.373213 where: bonds (distance) C4'-P energy: -77.917 bonds (distance) P-C4' energy: -77.714 flat angles C4'-P-C4' energy: -69.562 flat angles P-C4'-P energy: -42.987 tors. eta vs tors. theta energy: -83.192 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: 10 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -925.052486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.052486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.052486 (E_RNA) where: Base-Base interactions energy: -593.010 where: short stacking energy: -283.920 Base-Backbone interact. energy: -0.238 local terms energy: -331.804206 where: bonds (distance) C4'-P energy: -71.172 bonds (distance) P-C4' energy: -67.511 flat angles C4'-P-C4' energy: -83.630 flat angles P-C4'-P energy: -47.998 tors. eta vs tors. theta energy: -61.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -772.681919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.681919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.681919 (E_RNA) where: Base-Base interactions energy: -483.501 where: short stacking energy: -217.411 Base-Backbone interact. energy: 1.443 local terms energy: -290.623585 where: bonds (distance) C4'-P energy: -66.302 bonds (distance) P-C4' energy: -64.170 flat angles C4'-P-C4' energy: -66.212 flat angles P-C4'-P energy: -46.364 tors. eta vs tors. theta energy: -47.576 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: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -668.070278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.070278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.070278 (E_RNA) where: Base-Base interactions energy: -403.019 where: short stacking energy: -210.098 Base-Backbone interact. energy: 1.575 local terms energy: -266.625743 where: bonds (distance) C4'-P energy: -70.987 bonds (distance) P-C4' energy: -75.487 flat angles C4'-P-C4' energy: -57.861 flat angles P-C4'-P energy: -29.288 tors. eta vs tors. theta energy: -33.004 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: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -451.646172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.646172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.646172 (E_RNA) where: Base-Base interactions energy: -192.152 where: short stacking energy: -116.203 Base-Backbone interact. energy: -2.592 local terms energy: -256.902432 where: bonds (distance) C4'-P energy: -71.869 bonds (distance) P-C4' energy: -70.576 flat angles C4'-P-C4' energy: -56.995 flat angles P-C4'-P energy: -46.478 tors. eta vs tors. theta energy: -10.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -372.666335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.666335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.666335 (E_RNA) where: Base-Base interactions energy: -184.258 where: short stacking energy: -123.423 Base-Backbone interact. energy: -0.007 local terms energy: -188.401505 where: bonds (distance) C4'-P energy: -47.433 bonds (distance) P-C4' energy: -79.986 flat angles C4'-P-C4' energy: -33.944 flat angles P-C4'-P energy: -27.980 tors. eta vs tors. theta energy: 0.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -294.881365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.881365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.881365 (E_RNA) where: Base-Base interactions energy: -91.324 where: short stacking energy: -68.648 Base-Backbone interact. energy: 3.555 local terms energy: -207.112817 where: bonds (distance) C4'-P energy: -72.565 bonds (distance) P-C4' energy: -74.177 flat angles C4'-P-C4' energy: -43.867 flat angles P-C4'-P energy: -43.034 tors. eta vs tors. theta energy: 26.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1296.389057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.389057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.389057 (E_RNA) where: Base-Base interactions energy: -888.840 where: short stacking energy: -371.418 Base-Backbone interact. energy: 2.814 local terms energy: -410.362729 where: bonds (distance) C4'-P energy: -73.329 bonds (distance) P-C4' energy: -77.119 flat angles C4'-P-C4' energy: -98.895 flat angles P-C4'-P energy: -54.054 tors. eta vs tors. theta energy: -106.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1269.820250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.820250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.820250 (E_RNA) where: Base-Base interactions energy: -867.813 where: short stacking energy: -354.211 Base-Backbone interact. energy: -2.868 local terms energy: -399.139868 where: bonds (distance) C4'-P energy: -66.446 bonds (distance) P-C4' energy: -83.588 flat angles C4'-P-C4' energy: -88.099 flat angles P-C4'-P energy: -56.604 tors. eta vs tors. theta energy: -104.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1198.982573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.982573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.982573 (E_RNA) where: Base-Base interactions energy: -812.635 where: short stacking energy: -364.490 Base-Backbone interact. energy: -2.382 local terms energy: -383.965761 where: bonds (distance) C4'-P energy: -77.034 bonds (distance) P-C4' energy: -72.537 flat angles C4'-P-C4' energy: -86.523 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -101.585 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: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1125.610547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.610547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.610547 (E_RNA) where: Base-Base interactions energy: -776.898 where: short stacking energy: -317.801 Base-Backbone interact. energy: -0.128 local terms energy: -348.584561 where: bonds (distance) C4'-P energy: -74.958 bonds (distance) P-C4' energy: -59.603 flat angles C4'-P-C4' energy: -84.736 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -87.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -917.712817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.712817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.712817 (E_RNA) where: Base-Base interactions energy: -574.387 where: short stacking energy: -264.715 Base-Backbone interact. energy: -0.037 local terms energy: -343.288654 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -79.321 flat angles C4'-P-C4' energy: -73.978 flat angles P-C4'-P energy: -52.450 tors. eta vs tors. theta energy: -74.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -810.369711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.369711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.369711 (E_RNA) where: Base-Base interactions energy: -501.728 where: short stacking energy: -221.131 Base-Backbone interact. energy: 0.844 local terms energy: -309.485274 where: bonds (distance) C4'-P energy: -72.529 bonds (distance) P-C4' energy: -69.409 flat angles C4'-P-C4' energy: -68.240 flat angles P-C4'-P energy: -46.792 tors. eta vs tors. theta energy: -52.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -704.788012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.788012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.788012 (E_RNA) where: Base-Base interactions energy: -415.043 where: short stacking energy: -166.323 Base-Backbone interact. energy: -2.116 local terms energy: -287.629319 where: bonds (distance) C4'-P energy: -74.893 bonds (distance) P-C4' energy: -80.327 flat angles C4'-P-C4' energy: -65.506 flat angles P-C4'-P energy: -49.830 tors. eta vs tors. theta energy: -17.073 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: 8, replica: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -375.882754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.882754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.882754 (E_RNA) where: Base-Base interactions energy: -157.191 where: short stacking energy: -112.297 Base-Backbone interact. energy: -2.801 local terms energy: -215.890146 where: bonds (distance) C4'-P energy: -64.343 bonds (distance) P-C4' energy: -71.591 flat angles C4'-P-C4' energy: -49.272 flat angles P-C4'-P energy: -37.446 tors. eta vs tors. theta energy: 6.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -377.114844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.114844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.114844 (E_RNA) where: Base-Base interactions energy: -152.463 where: short stacking energy: -116.038 Base-Backbone interact. energy: 5.576 local terms energy: -230.228072 where: bonds (distance) C4'-P energy: -61.726 bonds (distance) P-C4' energy: -83.554 flat angles C4'-P-C4' energy: -66.951 flat angles P-C4'-P energy: -20.198 tors. eta vs tors. theta energy: 2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -318.623864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.623864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.623864 (E_RNA) where: Base-Base interactions energy: -117.826 where: short stacking energy: -99.743 Base-Backbone interact. energy: 0.427 local terms energy: -201.225430 where: bonds (distance) C4'-P energy: -58.650 bonds (distance) P-C4' energy: -76.598 flat angles C4'-P-C4' energy: -41.196 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: 11.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1282.531405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.531405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.531405 (E_RNA) where: Base-Base interactions energy: -877.695 where: short stacking energy: -361.885 Base-Backbone interact. energy: 2.743 local terms energy: -407.580142 where: bonds (distance) C4'-P energy: -78.653 bonds (distance) P-C4' energy: -82.893 flat angles C4'-P-C4' energy: -72.625 flat angles P-C4'-P energy: -67.613 tors. eta vs tors. theta energy: -105.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1250.479864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.479864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.479864 (E_RNA) where: Base-Base interactions energy: -853.670 where: short stacking energy: -333.479 Base-Backbone interact. energy: -3.195 local terms energy: -393.614816 where: bonds (distance) C4'-P energy: -68.024 bonds (distance) P-C4' energy: -76.592 flat angles C4'-P-C4' energy: -79.782 flat angles P-C4'-P energy: -62.879 tors. eta vs tors. theta energy: -106.338 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: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1221.082096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.082096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.082096 (E_RNA) where: Base-Base interactions energy: -826.678 where: short stacking energy: -346.695 Base-Backbone interact. energy: -2.011 local terms energy: -392.393676 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -82.542 flat angles C4'-P-C4' energy: -84.441 flat angles P-C4'-P energy: -46.238 tors. eta vs tors. theta energy: -107.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1135.084254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.084254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.084254 (E_RNA) where: Base-Base interactions energy: -769.318 where: short stacking energy: -321.399 Base-Backbone interact. energy: 0.413 local terms energy: -366.180005 where: bonds (distance) C4'-P energy: -67.877 bonds (distance) P-C4' energy: -74.605 flat angles C4'-P-C4' energy: -80.188 flat angles P-C4'-P energy: -52.372 tors. eta vs tors. theta energy: -91.138 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: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -812.148374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.148374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.148374 (E_RNA) where: Base-Base interactions energy: -515.880 where: short stacking energy: -213.661 Base-Backbone interact. energy: -0.299 local terms energy: -295.969299 where: bonds (distance) C4'-P energy: -71.122 bonds (distance) P-C4' energy: -62.311 flat angles C4'-P-C4' energy: -67.365 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: -39.301 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: 116 Temperature: 1.150000 Total energy: -867.311149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.311149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.311149 (E_RNA) where: Base-Base interactions energy: -527.089 where: short stacking energy: -246.365 Base-Backbone interact. energy: -1.874 local terms energy: -338.348010 where: bonds (distance) C4'-P energy: -63.720 bonds (distance) P-C4' energy: -76.307 flat angles C4'-P-C4' energy: -83.106 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: -70.783 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: 116 Temperature: 1.200000 Total energy: -607.844316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.844316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.844316 (E_RNA) where: Base-Base interactions energy: -339.895 where: short stacking energy: -180.346 Base-Backbone interact. energy: 0.701 local terms energy: -268.650136 where: bonds (distance) C4'-P energy: -73.632 bonds (distance) P-C4' energy: -83.733 flat angles C4'-P-C4' energy: -65.098 flat angles P-C4'-P energy: -32.030 tors. eta vs tors. theta energy: -14.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -381.862998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.862998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.862998 (E_RNA) where: Base-Base interactions energy: -162.293 where: short stacking energy: -121.521 Base-Backbone interact. energy: 4.985 local terms energy: -224.554747 where: bonds (distance) C4'-P energy: -58.475 bonds (distance) P-C4' energy: -68.077 flat angles C4'-P-C4' energy: -70.590 flat angles P-C4'-P energy: -34.509 tors. eta vs tors. theta energy: 7.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -376.622843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.622843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.622843 (E_RNA) where: Base-Base interactions energy: -159.712 where: short stacking energy: -120.140 Base-Backbone interact. energy: 0.540 local terms energy: -217.450202 where: bonds (distance) C4'-P energy: -58.586 bonds (distance) P-C4' energy: -69.900 flat angles C4'-P-C4' energy: -55.466 flat angles P-C4'-P energy: -35.174 tors. eta vs tors. theta energy: 1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -298.888963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.888963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.888963 (E_RNA) where: Base-Base interactions energy: -110.237 where: short stacking energy: -78.592 Base-Backbone interact. energy: 1.666 local terms energy: -190.318492 where: bonds (distance) C4'-P energy: -73.759 bonds (distance) P-C4' energy: -67.428 flat angles C4'-P-C4' energy: -39.398 flat angles P-C4'-P energy: -28.546 tors. eta vs tors. theta energy: 18.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1286.765007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.765007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.765007 (E_RNA) where: Base-Base interactions energy: -878.228 where: short stacking energy: -349.155 Base-Backbone interact. energy: 1.824 local terms energy: -410.361168 where: bonds (distance) C4'-P energy: -82.708 bonds (distance) P-C4' energy: -80.680 flat angles C4'-P-C4' energy: -87.967 flat angles P-C4'-P energy: -58.447 tors. eta vs tors. theta energy: -100.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1226.815864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.815864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.815864 (E_RNA) where: Base-Base interactions energy: -823.089 where: short stacking energy: -343.878 Base-Backbone interact. energy: -1.201 local terms energy: -402.525980 where: bonds (distance) C4'-P energy: -76.287 bonds (distance) P-C4' energy: -81.213 flat angles C4'-P-C4' energy: -86.150 flat angles P-C4'-P energy: -55.756 tors. eta vs tors. theta energy: -103.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1245.595103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.595103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.595103 (E_RNA) where: Base-Base interactions energy: -853.794 where: short stacking energy: -347.428 Base-Backbone interact. energy: -3.837 local terms energy: -387.963539 where: bonds (distance) C4'-P energy: -75.744 bonds (distance) P-C4' energy: -73.272 flat angles C4'-P-C4' energy: -82.548 flat angles P-C4'-P energy: -56.743 tors. eta vs tors. theta energy: -99.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1145.900867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.900867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.900867 (E_RNA) where: Base-Base interactions energy: -807.300 where: short stacking energy: -302.507 Base-Backbone interact. energy: -2.036 local terms energy: -336.565768 where: bonds (distance) C4'-P energy: -69.636 bonds (distance) P-C4' energy: -80.580 flat angles C4'-P-C4' energy: -68.478 flat angles P-C4'-P energy: -33.874 tors. eta vs tors. theta energy: -83.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -865.958147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.958147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.958147 (E_RNA) where: Base-Base interactions energy: -548.029 where: short stacking energy: -256.565 Base-Backbone interact. energy: -0.554 local terms energy: -317.375554 where: bonds (distance) C4'-P energy: -69.312 bonds (distance) P-C4' energy: -70.011 flat angles C4'-P-C4' energy: -75.726 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -56.794 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: 10 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -961.944688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.944688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.944688 (E_RNA) where: Base-Base interactions energy: -620.892 where: short stacking energy: -280.441 Base-Backbone interact. energy: -0.589 local terms energy: -340.463658 where: bonds (distance) C4'-P energy: -72.178 bonds (distance) P-C4' energy: -72.298 flat angles C4'-P-C4' energy: -76.847 flat angles P-C4'-P energy: -38.221 tors. eta vs tors. theta energy: -80.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -613.525635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.525635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.525635 (E_RNA) where: Base-Base interactions energy: -325.748 where: short stacking energy: -171.571 Base-Backbone interact. energy: -2.728 local terms energy: -285.049394 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -77.010 flat angles C4'-P-C4' energy: -75.430 flat angles P-C4'-P energy: -34.991 tors. eta vs tors. theta energy: -32.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -397.016794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.016794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.016794 (E_RNA) where: Base-Base interactions energy: -167.399 where: short stacking energy: -112.021 Base-Backbone interact. energy: -3.244 local terms energy: -226.374209 where: bonds (distance) C4'-P energy: -67.820 bonds (distance) P-C4' energy: -79.042 flat angles C4'-P-C4' energy: -57.833 flat angles P-C4'-P energy: -30.835 tors. eta vs tors. theta energy: 9.156 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: 117 Temperature: 1.300000 Total energy: -344.785910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.785910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.785910 (E_RNA) where: Base-Base interactions energy: -129.802 where: short stacking energy: -87.651 Base-Backbone interact. energy: 4.554 local terms energy: -219.537528 where: bonds (distance) C4'-P energy: -52.964 bonds (distance) P-C4' energy: -79.442 flat angles C4'-P-C4' energy: -51.310 flat angles P-C4'-P energy: -47.429 tors. eta vs tors. theta energy: 11.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -304.372956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.372956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.372956 (E_RNA) where: Base-Base interactions energy: -96.482 where: short stacking energy: -78.481 Base-Backbone interact. energy: -0.863 local terms energy: -207.028665 where: bonds (distance) C4'-P energy: -58.264 bonds (distance) P-C4' energy: -69.684 flat angles C4'-P-C4' energy: -55.979 flat angles P-C4'-P energy: -38.382 tors. eta vs tors. theta energy: 15.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1302.464145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.464145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.464145 (E_RNA) where: Base-Base interactions energy: -876.503 where: short stacking energy: -381.978 Base-Backbone interact. energy: -1.064 local terms energy: -424.897834 where: bonds (distance) C4'-P energy: -85.588 bonds (distance) P-C4' energy: -81.051 flat angles C4'-P-C4' energy: -97.043 flat angles P-C4'-P energy: -52.821 tors. eta vs tors. theta energy: -108.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1233.523780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.523780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.523780 (E_RNA) where: Base-Base interactions energy: -840.723 where: short stacking energy: -353.208 Base-Backbone interact. energy: 0.878 local terms energy: -393.678248 where: bonds (distance) C4'-P energy: -71.391 bonds (distance) P-C4' energy: -78.393 flat angles C4'-P-C4' energy: -87.900 flat angles P-C4'-P energy: -53.194 tors. eta vs tors. theta energy: -102.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1232.052308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.052308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.052308 (E_RNA) where: Base-Base interactions energy: -860.870 where: short stacking energy: -341.278 Base-Backbone interact. energy: -2.472 local terms energy: -368.710377 where: bonds (distance) C4'-P energy: -75.015 bonds (distance) P-C4' energy: -79.426 flat angles C4'-P-C4' energy: -78.777 flat angles P-C4'-P energy: -46.741 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: 4, replica: 8 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1105.251853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.251853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.251853 (E_RNA) where: Base-Base interactions energy: -741.684 where: short stacking energy: -295.021 Base-Backbone interact. energy: 0.683 local terms energy: -364.250505 where: bonds (distance) C4'-P energy: -70.438 bonds (distance) P-C4' energy: -69.564 flat angles C4'-P-C4' energy: -82.824 flat angles P-C4'-P energy: -38.062 tors. eta vs tors. theta energy: -103.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -965.709811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.709811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.709811 (E_RNA) where: Base-Base interactions energy: -630.235 where: short stacking energy: -283.245 Base-Backbone interact. energy: 2.330 local terms energy: -337.805529 where: bonds (distance) C4'-P energy: -70.844 bonds (distance) P-C4' energy: -75.299 flat angles C4'-P-C4' energy: -70.788 flat angles P-C4'-P energy: -48.105 tors. eta vs tors. theta energy: -72.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -836.550611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.550611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.550611 (E_RNA) where: Base-Base interactions energy: -523.852 where: short stacking energy: -244.569 Base-Backbone interact. energy: -1.237 local terms energy: -311.461220 where: bonds (distance) C4'-P energy: -73.382 bonds (distance) P-C4' energy: -74.647 flat angles C4'-P-C4' energy: -68.216 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -54.583 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: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -596.416231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.416231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.416231 (E_RNA) where: Base-Base interactions energy: -318.634 where: short stacking energy: -163.553 Base-Backbone interact. energy: -1.875 local terms energy: -275.906822 where: bonds (distance) C4'-P energy: -66.009 bonds (distance) P-C4' energy: -57.179 flat angles C4'-P-C4' energy: -77.950 flat angles P-C4'-P energy: -36.949 tors. eta vs tors. theta energy: -37.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -374.298438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.298438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.298438 (E_RNA) where: Base-Base interactions energy: -154.095 where: short stacking energy: -92.149 Base-Backbone interact. energy: -2.350 local terms energy: -217.853756 where: bonds (distance) C4'-P energy: -63.180 bonds (distance) P-C4' energy: -75.032 flat angles C4'-P-C4' energy: -55.473 flat angles P-C4'-P energy: -32.843 tors. eta vs tors. theta energy: 8.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -365.334826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.334826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.334826 (E_RNA) where: Base-Base interactions energy: -149.023 where: short stacking energy: -103.681 Base-Backbone interact. energy: 0.811 local terms energy: -217.123095 where: bonds (distance) C4'-P energy: -70.129 bonds (distance) P-C4' energy: -68.909 flat angles C4'-P-C4' energy: -68.802 flat angles P-C4'-P energy: -26.297 tors. eta vs tors. theta energy: 17.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -322.743353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.743353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.743353 (E_RNA) where: Base-Base interactions energy: -130.756 where: short stacking energy: -58.012 Base-Backbone interact. energy: -0.895 local terms energy: -191.092595 where: bonds (distance) C4'-P energy: -56.618 bonds (distance) P-C4' energy: -74.942 flat angles C4'-P-C4' energy: -52.197 flat angles P-C4'-P energy: -35.726 tors. eta vs tors. theta energy: 28.390 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: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1302.779701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.779701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.779701 (E_RNA) where: Base-Base interactions energy: -889.020 where: short stacking energy: -374.361 Base-Backbone interact. energy: -0.394 local terms energy: -413.365849 where: bonds (distance) C4'-P energy: -74.265 bonds (distance) P-C4' energy: -87.849 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -64.155 tors. eta vs tors. theta energy: -106.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1267.065078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.065078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.065078 (E_RNA) where: Base-Base interactions energy: -834.833 where: short stacking energy: -371.015 Base-Backbone interact. energy: -0.820 local terms energy: -431.411737 where: bonds (distance) C4'-P energy: -80.638 bonds (distance) P-C4' energy: -83.555 flat angles C4'-P-C4' energy: -92.663 flat angles P-C4'-P energy: -56.984 tors. eta vs tors. theta energy: -117.571 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: 119 Temperature: 1.000000 Total energy: -1198.924963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.924963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.924963 (E_RNA) where: Base-Base interactions energy: -815.977 where: short stacking energy: -331.138 Base-Backbone interact. energy: 0.421 local terms energy: -383.368371 where: bonds (distance) C4'-P energy: -75.120 bonds (distance) P-C4' energy: -65.009 flat angles C4'-P-C4' energy: -92.236 flat angles P-C4'-P energy: -49.455 tors. eta vs tors. theta energy: -101.549 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: 119 Temperature: 1.050000 Total energy: -1085.742767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.742767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.742767 (E_RNA) where: Base-Base interactions energy: -685.986 where: short stacking energy: -306.340 Base-Backbone interact. energy: -2.097 local terms energy: -397.659976 where: bonds (distance) C4'-P energy: -77.581 bonds (distance) P-C4' energy: -81.712 flat angles C4'-P-C4' energy: -90.945 flat angles P-C4'-P energy: -58.321 tors. eta vs tors. theta energy: -89.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -946.425635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.425635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.425635 (E_RNA) where: Base-Base interactions energy: -621.787 where: short stacking energy: -292.904 Base-Backbone interact. energy: -0.916 local terms energy: -323.722658 where: bonds (distance) C4'-P energy: -63.197 bonds (distance) P-C4' energy: -59.649 flat angles C4'-P-C4' energy: -84.283 flat angles P-C4'-P energy: -34.958 tors. eta vs tors. theta energy: -81.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -791.729855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.729855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.729855 (E_RNA) where: Base-Base interactions energy: -466.077 where: short stacking energy: -223.914 Base-Backbone interact. energy: -0.389 local terms energy: -325.263479 where: bonds (distance) C4'-P energy: -76.552 bonds (distance) P-C4' energy: -76.452 flat angles C4'-P-C4' energy: -72.147 flat angles P-C4'-P energy: -48.682 tors. eta vs tors. theta energy: -51.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -591.535223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.535223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.535223 (E_RNA) where: Base-Base interactions energy: -327.508 where: short stacking energy: -175.362 Base-Backbone interact. energy: -0.119 local terms energy: -263.908268 where: bonds (distance) C4'-P energy: -76.974 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -72.923 flat angles P-C4'-P energy: -29.452 tors. eta vs tors. theta energy: -22.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -366.397877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.397877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.397877 (E_RNA) where: Base-Base interactions energy: -125.604 where: short stacking energy: -104.744 Base-Backbone interact. energy: 2.543 local terms energy: -243.336825 where: bonds (distance) C4'-P energy: -70.729 bonds (distance) P-C4' energy: -69.701 flat angles C4'-P-C4' energy: -43.528 flat angles P-C4'-P energy: -59.399 tors. eta vs tors. theta energy: 0.021 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: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -345.196018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.196018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.196018 (E_RNA) where: Base-Base interactions energy: -118.318 where: short stacking energy: -105.949 Base-Backbone interact. energy: 7.654 local terms energy: -234.531461 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -78.019 flat angles C4'-P-C4' energy: -65.568 flat angles P-C4'-P energy: -21.523 tors. eta vs tors. theta energy: 3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -319.972936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.972936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.972936 (E_RNA) where: Base-Base interactions energy: -106.672 where: short stacking energy: -70.111 Base-Backbone interact. energy: -2.210 local terms energy: -211.090541 where: bonds (distance) C4'-P energy: -65.578 bonds (distance) P-C4' energy: -68.673 flat angles C4'-P-C4' energy: -67.297 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: 31.318 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: 1, replica: 6 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1298.313202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.313202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.313202 (E_RNA) where: Base-Base interactions energy: -896.753 where: short stacking energy: -381.365 Base-Backbone interact. energy: -1.021 local terms energy: -400.538487 where: bonds (distance) C4'-P energy: -69.647 bonds (distance) P-C4' energy: -79.674 flat angles C4'-P-C4' energy: -79.253 flat angles P-C4'-P energy: -57.580 tors. eta vs tors. theta energy: -114.384 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: 2, replica: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1251.867141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.867141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.867141 (E_RNA) where: Base-Base interactions energy: -839.908 where: short stacking energy: -363.029 Base-Backbone interact. energy: -2.360 local terms energy: -409.599758 where: bonds (distance) C4'-P energy: -74.369 bonds (distance) P-C4' energy: -83.175 flat angles C4'-P-C4' energy: -80.152 flat angles P-C4'-P energy: -62.848 tors. eta vs tors. theta energy: -109.055 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: 120 Temperature: 1.000000 Total energy: -1249.094662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.094662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.094662 (E_RNA) where: Base-Base interactions energy: -835.266 where: short stacking energy: -359.169 Base-Backbone interact. energy: -3.576 local terms energy: -410.252026 where: bonds (distance) C4'-P energy: -76.863 bonds (distance) P-C4' energy: -79.614 flat angles C4'-P-C4' energy: -90.922 flat angles P-C4'-P energy: -58.067 tors. eta vs tors. theta energy: -104.785 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: 4, replica: 8 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1098.587873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.587873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.587873 (E_RNA) where: Base-Base interactions energy: -749.907 where: short stacking energy: -315.962 Base-Backbone interact. energy: -1.076 local terms energy: -347.605155 where: bonds (distance) C4'-P energy: -59.221 bonds (distance) P-C4' energy: -72.141 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -48.485 tors. eta vs tors. theta energy: -92.929 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: 5, replica: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -928.048836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.048836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.048836 (E_RNA) where: Base-Base interactions energy: -584.681 where: short stacking energy: -262.218 Base-Backbone interact. energy: -1.550 local terms energy: -341.817489 where: bonds (distance) C4'-P energy: -69.665 bonds (distance) P-C4' energy: -74.014 flat angles C4'-P-C4' energy: -75.103 flat angles P-C4'-P energy: -58.209 tors. eta vs tors. theta energy: -64.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -761.858779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.858779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.858779 (E_RNA) where: Base-Base interactions energy: -451.542 where: short stacking energy: -236.144 Base-Backbone interact. energy: -1.982 local terms energy: -308.334051 where: bonds (distance) C4'-P energy: -60.383 bonds (distance) P-C4' energy: -78.043 flat angles C4'-P-C4' energy: -82.539 flat angles P-C4'-P energy: -42.211 tors. eta vs tors. theta energy: -45.159 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: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -565.900536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.900536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.900536 (E_RNA) where: Base-Base interactions energy: -292.053 where: short stacking energy: -178.368 Base-Backbone interact. energy: -0.723 local terms energy: -273.124643 where: bonds (distance) C4'-P energy: -71.607 bonds (distance) P-C4' energy: -59.292 flat angles C4'-P-C4' energy: -72.914 flat angles P-C4'-P energy: -41.794 tors. eta vs tors. theta energy: -27.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -359.152788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.152788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.152788 (E_RNA) where: Base-Base interactions energy: -133.483 where: short stacking energy: -100.302 Base-Backbone interact. energy: -2.705 local terms energy: -222.964585 where: bonds (distance) C4'-P energy: -68.619 bonds (distance) P-C4' energy: -79.802 flat angles C4'-P-C4' energy: -62.315 flat angles P-C4'-P energy: -25.328 tors. eta vs tors. theta energy: 13.100 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: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -363.780262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.780262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.780262 (E_RNA) where: Base-Base interactions energy: -130.216 where: short stacking energy: -79.727 Base-Backbone interact. energy: -1.828 local terms energy: -231.736255 where: bonds (distance) C4'-P energy: -61.525 bonds (distance) P-C4' energy: -77.171 flat angles C4'-P-C4' energy: -56.015 flat angles P-C4'-P energy: -40.951 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: 10, replica: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -324.230219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.230219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.230219 (E_RNA) where: Base-Base interactions energy: -113.347 where: short stacking energy: -85.019 Base-Backbone interact. energy: -1.561 local terms energy: -209.322070 where: bonds (distance) C4'-P energy: -66.450 bonds (distance) P-C4' energy: -69.228 flat angles C4'-P-C4' energy: -57.505 flat angles P-C4'-P energy: -32.627 tors. eta vs tors. theta energy: 16.488 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: 6 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1322.851869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.851869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.851869 (E_RNA) where: Base-Base interactions energy: -905.796 where: short stacking energy: -383.219 Base-Backbone interact. energy: -0.652 local terms energy: -416.404015 where: bonds (distance) C4'-P energy: -76.626 bonds (distance) P-C4' energy: -81.319 flat angles C4'-P-C4' energy: -82.547 flat angles P-C4'-P energy: -62.965 tors. eta vs tors. theta energy: -112.948 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: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1253.941368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.941368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.941368 (E_RNA) where: Base-Base interactions energy: -844.148 where: short stacking energy: -360.827 Base-Backbone interact. energy: -2.703 local terms energy: -407.089756 where: bonds (distance) C4'-P energy: -71.157 bonds (distance) P-C4' energy: -83.348 flat angles C4'-P-C4' energy: -85.580 flat angles P-C4'-P energy: -56.471 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: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1213.473376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.473376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.473376 (E_RNA) where: Base-Base interactions energy: -798.092 where: short stacking energy: -342.533 Base-Backbone interact. energy: -1.096 local terms energy: -414.286195 where: bonds (distance) C4'-P energy: -81.535 bonds (distance) P-C4' energy: -78.181 flat angles C4'-P-C4' energy: -90.198 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: -111.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1123.790660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.790660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.790660 (E_RNA) where: Base-Base interactions energy: -739.861 where: short stacking energy: -294.537 Base-Backbone interact. energy: -0.301 local terms energy: -383.628294 where: bonds (distance) C4'-P energy: -76.626 bonds (distance) P-C4' energy: -84.220 flat angles C4'-P-C4' energy: -79.657 flat angles P-C4'-P energy: -50.101 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: 5, replica: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -912.834532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.834532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.834532 (E_RNA) where: Base-Base interactions energy: -578.566 where: short stacking energy: -262.802 Base-Backbone interact. energy: -0.185 local terms energy: -334.082904 where: bonds (distance) C4'-P energy: -59.535 bonds (distance) P-C4' energy: -80.974 flat angles C4'-P-C4' energy: -67.669 flat angles P-C4'-P energy: -55.191 tors. eta vs tors. theta energy: -70.714 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: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -735.000641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.000641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.000641 (E_RNA) where: Base-Base interactions energy: -431.082 where: short stacking energy: -187.207 Base-Backbone interact. energy: -1.970 local terms energy: -301.948523 where: bonds (distance) C4'-P energy: -72.458 bonds (distance) P-C4' energy: -73.873 flat angles C4'-P-C4' energy: -73.032 flat angles P-C4'-P energy: -38.436 tors. eta vs tors. theta energy: -44.149 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: 121 Temperature: 1.200000 Total energy: -539.340331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.340331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.340331 (E_RNA) where: Base-Base interactions energy: -298.342 where: short stacking energy: -160.059 Base-Backbone interact. energy: 2.005 local terms energy: -243.003446 where: bonds (distance) C4'-P energy: -51.045 bonds (distance) P-C4' energy: -75.212 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -30.199 tors. eta vs tors. theta energy: -22.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -425.717383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.717383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.717383 (E_RNA) where: Base-Base interactions energy: -192.265 where: short stacking energy: -115.666 Base-Backbone interact. energy: 1.151 local terms energy: -234.602436 where: bonds (distance) C4'-P energy: -67.775 bonds (distance) P-C4' energy: -67.882 flat angles C4'-P-C4' energy: -50.112 flat angles P-C4'-P energy: -40.520 tors. eta vs tors. theta energy: -8.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -334.007687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.007687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.007687 (E_RNA) where: Base-Base interactions energy: -124.347 where: short stacking energy: -84.279 Base-Backbone interact. energy: 0.339 local terms energy: -209.999653 where: bonds (distance) C4'-P energy: -58.145 bonds (distance) P-C4' energy: -69.937 flat angles C4'-P-C4' energy: -57.090 flat angles P-C4'-P energy: -23.207 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -335.041973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.041973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.041973 (E_RNA) where: Base-Base interactions energy: -111.911 where: short stacking energy: -91.812 Base-Backbone interact. energy: -1.585 local terms energy: -221.545359 where: bonds (distance) C4'-P energy: -65.937 bonds (distance) P-C4' energy: -66.298 flat angles C4'-P-C4' energy: -62.370 flat angles P-C4'-P energy: -34.064 tors. eta vs tors. theta energy: 7.123 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: 6 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1304.133345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.133345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.133345 (E_RNA) where: Base-Base interactions energy: -873.034 where: short stacking energy: -363.601 Base-Backbone interact. energy: -0.727 local terms energy: -430.371764 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -87.198 flat angles C4'-P-C4' energy: -88.916 flat angles P-C4'-P energy: -57.137 tors. eta vs tors. theta energy: -117.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1257.006898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.006898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.006898 (E_RNA) where: Base-Base interactions energy: -837.439 where: short stacking energy: -371.362 Base-Backbone interact. energy: 0.321 local terms energy: -419.889580 where: bonds (distance) C4'-P energy: -77.685 bonds (distance) P-C4' energy: -84.734 flat angles C4'-P-C4' energy: -83.371 flat angles P-C4'-P energy: -62.844 tors. eta vs tors. theta energy: -111.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1208.940521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.940521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.940521 (E_RNA) where: Base-Base interactions energy: -794.558 where: short stacking energy: -373.464 Base-Backbone interact. energy: -1.217 local terms energy: -413.165415 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -78.385 flat angles C4'-P-C4' energy: -81.750 flat angles P-C4'-P energy: -61.944 tors. eta vs tors. theta energy: -116.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1126.223208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.223208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.223208 (E_RNA) where: Base-Base interactions energy: -767.105 where: short stacking energy: -319.227 Base-Backbone interact. energy: -2.639 local terms energy: -356.479398 where: bonds (distance) C4'-P energy: -74.354 bonds (distance) P-C4' energy: -61.292 flat angles C4'-P-C4' energy: -76.631 flat angles P-C4'-P energy: -53.017 tors. eta vs tors. theta energy: -91.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -930.088245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.088245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.088245 (E_RNA) where: Base-Base interactions energy: -585.983 where: short stacking energy: -286.006 Base-Backbone interact. energy: -1.241 local terms energy: -342.863837 where: bonds (distance) C4'-P energy: -57.959 bonds (distance) P-C4' energy: -86.003 flat angles C4'-P-C4' energy: -68.792 flat angles P-C4'-P energy: -52.476 tors. eta vs tors. theta energy: -77.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -797.438624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.438624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.438624 (E_RNA) where: Base-Base interactions energy: -483.905 where: short stacking energy: -243.481 Base-Backbone interact. energy: -1.213 local terms energy: -312.320539 where: bonds (distance) C4'-P energy: -77.870 bonds (distance) P-C4' energy: -75.974 flat angles C4'-P-C4' energy: -59.742 flat angles P-C4'-P energy: -37.191 tors. eta vs tors. theta energy: -61.544 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: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -578.015861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.015861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.015861 (E_RNA) where: Base-Base interactions energy: -323.285 where: short stacking energy: -152.675 Base-Backbone interact. energy: 2.460 local terms energy: -257.190657 where: bonds (distance) C4'-P energy: -71.717 bonds (distance) P-C4' energy: -79.550 flat angles C4'-P-C4' energy: -54.497 flat angles P-C4'-P energy: -38.694 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -448.155221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.155221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.155221 (E_RNA) where: Base-Base interactions energy: -208.651 where: short stacking energy: -131.615 Base-Backbone interact. energy: -1.876 local terms energy: -237.628626 where: bonds (distance) C4'-P energy: -71.531 bonds (distance) P-C4' energy: -62.796 flat angles C4'-P-C4' energy: -60.921 flat angles P-C4'-P energy: -32.136 tors. eta vs tors. theta energy: -10.244 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: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -349.292848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.292848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.292848 (E_RNA) where: Base-Base interactions energy: -146.930 where: short stacking energy: -102.858 Base-Backbone interact. energy: 6.979 local terms energy: -209.341605 where: bonds (distance) C4'-P energy: -54.877 bonds (distance) P-C4' energy: -77.607 flat angles C4'-P-C4' energy: -54.800 flat angles P-C4'-P energy: -33.878 tors. eta vs tors. theta energy: 11.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -332.933269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.933269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.933269 (E_RNA) where: Base-Base interactions energy: -110.075 where: short stacking energy: -88.936 Base-Backbone interact. energy: 2.904 local terms energy: -225.761691 where: bonds (distance) C4'-P energy: -63.903 bonds (distance) P-C4' energy: -70.814 flat angles C4'-P-C4' energy: -57.059 flat angles P-C4'-P energy: -33.619 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1296.800003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.800003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.800003 (E_RNA) where: Base-Base interactions energy: -871.931 where: short stacking energy: -364.530 Base-Backbone interact. energy: -3.004 local terms energy: -421.864410 where: bonds (distance) C4'-P energy: -79.872 bonds (distance) P-C4' energy: -83.016 flat angles C4'-P-C4' energy: -86.911 flat angles P-C4'-P energy: -59.776 tors. eta vs tors. theta energy: -112.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1266.467113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.467113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.467113 (E_RNA) where: Base-Base interactions energy: -828.518 where: short stacking energy: -356.312 Base-Backbone interact. energy: -2.198 local terms energy: -435.751386 where: bonds (distance) C4'-P energy: -83.150 bonds (distance) P-C4' energy: -88.384 flat angles C4'-P-C4' energy: -81.444 flat angles P-C4'-P energy: -66.894 tors. eta vs tors. theta energy: -115.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1223.884321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.884321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.884321 (E_RNA) where: Base-Base interactions energy: -833.203 where: short stacking energy: -353.233 Base-Backbone interact. energy: -0.436 local terms energy: -390.245469 where: bonds (distance) C4'-P energy: -78.594 bonds (distance) P-C4' energy: -64.578 flat angles C4'-P-C4' energy: -87.455 flat angles P-C4'-P energy: -59.712 tors. eta vs tors. theta energy: -99.906 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: 8 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1032.247330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.247330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.247330 (E_RNA) where: Base-Base interactions energy: -689.763 where: short stacking energy: -283.960 Base-Backbone interact. energy: 0.803 local terms energy: -343.286839 where: bonds (distance) C4'-P energy: -60.128 bonds (distance) P-C4' energy: -84.915 flat angles C4'-P-C4' energy: -76.880 flat angles P-C4'-P energy: -46.733 tors. eta vs tors. theta energy: -74.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -959.797773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.797773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.797773 (E_RNA) where: Base-Base interactions energy: -605.913 where: short stacking energy: -285.731 Base-Backbone interact. energy: -1.213 local terms energy: -352.671330 where: bonds (distance) C4'-P energy: -74.675 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -76.544 flat angles P-C4'-P energy: -49.989 tors. eta vs tors. theta energy: -81.125 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: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -843.969086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.969086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.969086 (E_RNA) where: Base-Base interactions energy: -534.855 where: short stacking energy: -232.563 Base-Backbone interact. energy: -3.931 local terms energy: -305.183135 where: bonds (distance) C4'-P energy: -64.683 bonds (distance) P-C4' energy: -71.407 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -38.983 tors. eta vs tors. theta energy: -64.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -559.536872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.536872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.536872 (E_RNA) where: Base-Base interactions energy: -301.050 where: short stacking energy: -151.933 Base-Backbone interact. energy: 3.538 local terms energy: -262.024602 where: bonds (distance) C4'-P energy: -65.917 bonds (distance) P-C4' energy: -78.607 flat angles C4'-P-C4' energy: -72.823 flat angles P-C4'-P energy: -27.155 tors. eta vs tors. theta energy: -17.523 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: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -395.541710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.541710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.541710 (E_RNA) where: Base-Base interactions energy: -156.421 where: short stacking energy: -113.932 Base-Backbone interact. energy: -1.150 local terms energy: -237.971444 where: bonds (distance) C4'-P energy: -58.548 bonds (distance) P-C4' energy: -72.327 flat angles C4'-P-C4' energy: -44.001 flat angles P-C4'-P energy: -47.589 tors. eta vs tors. theta energy: -15.507 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: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -403.793663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.793663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.793663 (E_RNA) where: Base-Base interactions energy: -197.483 where: short stacking energy: -122.246 Base-Backbone interact. energy: -0.228 local terms energy: -206.082216 where: bonds (distance) C4'-P energy: -65.671 bonds (distance) P-C4' energy: -76.988 flat angles C4'-P-C4' energy: -51.169 flat angles P-C4'-P energy: -26.503 tors. eta vs tors. theta energy: 14.249 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: 1 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -319.057496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.057496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.057496 (E_RNA) where: Base-Base interactions energy: -122.931 where: short stacking energy: -107.034 Base-Backbone interact. energy: -1.893 local terms energy: -194.233897 where: bonds (distance) C4'-P energy: -52.024 bonds (distance) P-C4' energy: -61.439 flat angles C4'-P-C4' energy: -52.319 flat angles P-C4'-P energy: -33.791 tors. eta vs tors. theta energy: 5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1268.875180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.875180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.875180 (E_RNA) where: Base-Base interactions energy: -847.271 where: short stacking energy: -381.512 Base-Backbone interact. energy: 1.810 local terms energy: -423.414977 where: bonds (distance) C4'-P energy: -73.754 bonds (distance) P-C4' energy: -85.675 flat angles C4'-P-C4' energy: -84.785 flat angles P-C4'-P energy: -61.338 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: 2, replica: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1291.917836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.917836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.917836 (E_RNA) where: Base-Base interactions energy: -866.146 where: short stacking energy: -374.625 Base-Backbone interact. energy: -1.693 local terms energy: -424.079727 where: bonds (distance) C4'-P energy: -80.413 bonds (distance) P-C4' energy: -76.981 flat angles C4'-P-C4' energy: -88.752 flat angles P-C4'-P energy: -60.687 tors. eta vs tors. theta energy: -117.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1202.302162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.302162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.302162 (E_RNA) where: Base-Base interactions energy: -810.692 where: short stacking energy: -344.055 Base-Backbone interact. energy: -0.485 local terms energy: -391.125501 where: bonds (distance) C4'-P energy: -79.692 bonds (distance) P-C4' energy: -68.811 flat angles C4'-P-C4' energy: -86.974 flat angles P-C4'-P energy: -55.948 tors. eta vs tors. theta energy: -99.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1051.671747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.671747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.671747 (E_RNA) where: Base-Base interactions energy: -709.404 where: short stacking energy: -292.315 Base-Backbone interact. energy: 1.201 local terms energy: -343.468937 where: bonds (distance) C4'-P energy: -68.426 bonds (distance) P-C4' energy: -73.233 flat angles C4'-P-C4' energy: -82.621 flat angles P-C4'-P energy: -45.503 tors. eta vs tors. theta energy: -73.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -960.683214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.683214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.683214 (E_RNA) where: Base-Base interactions energy: -633.363 where: short stacking energy: -284.453 Base-Backbone interact. energy: -0.126 local terms energy: -327.193576 where: bonds (distance) C4'-P energy: -59.087 bonds (distance) P-C4' energy: -66.150 flat angles C4'-P-C4' energy: -71.316 flat angles P-C4'-P energy: -47.688 tors. eta vs tors. theta energy: -82.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -837.007279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.007279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.007279 (E_RNA) where: Base-Base interactions energy: -530.469 where: short stacking energy: -226.956 Base-Backbone interact. energy: -1.776 local terms energy: -304.762520 where: bonds (distance) C4'-P energy: -57.942 bonds (distance) P-C4' energy: -65.040 flat angles C4'-P-C4' energy: -68.537 flat angles P-C4'-P energy: -45.654 tors. eta vs tors. theta energy: -67.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -529.953082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.953082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.953082 (E_RNA) where: Base-Base interactions energy: -264.350 where: short stacking energy: -145.781 Base-Backbone interact. energy: 0.069 local terms energy: -265.671397 where: bonds (distance) C4'-P energy: -64.670 bonds (distance) P-C4' energy: -80.137 flat angles C4'-P-C4' energy: -76.686 flat angles P-C4'-P energy: -29.566 tors. eta vs tors. theta energy: -14.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -404.310424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.310424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.310424 (E_RNA) where: Base-Base interactions energy: -166.450 where: short stacking energy: -114.411 Base-Backbone interact. energy: -1.342 local terms energy: -236.518399 where: bonds (distance) C4'-P energy: -65.931 bonds (distance) P-C4' energy: -80.640 flat angles C4'-P-C4' energy: -43.693 flat angles P-C4'-P energy: -34.380 tors. eta vs tors. theta energy: -11.875 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: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -387.298230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.298230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.298230 (E_RNA) where: Base-Base interactions energy: -159.370 where: short stacking energy: -95.839 Base-Backbone interact. energy: -0.061 local terms energy: -227.866572 where: bonds (distance) C4'-P energy: -60.694 bonds (distance) P-C4' energy: -65.635 flat angles C4'-P-C4' energy: -62.637 flat angles P-C4'-P energy: -38.481 tors. eta vs tors. theta energy: -0.420 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: 124 Temperature: 1.350000 Total energy: -328.222157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.222157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.222157 (E_RNA) where: Base-Base interactions energy: -100.500 where: short stacking energy: -70.992 Base-Backbone interact. energy: -1.731 local terms energy: -225.991413 where: bonds (distance) C4'-P energy: -57.926 bonds (distance) P-C4' energy: -64.150 flat angles C4'-P-C4' energy: -60.158 flat angles P-C4'-P energy: -34.348 tors. eta vs tors. theta energy: -9.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1264.503628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.503628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.503628 (E_RNA) where: Base-Base interactions energy: -820.756 where: short stacking energy: -369.065 Base-Backbone interact. energy: -1.753 local terms energy: -441.993807 where: bonds (distance) C4'-P energy: -69.353 bonds (distance) P-C4' energy: -88.670 flat angles C4'-P-C4' energy: -98.321 flat angles P-C4'-P energy: -68.220 tors. eta vs tors. theta energy: -117.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1287.703109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.703109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.703109 (E_RNA) where: Base-Base interactions energy: -867.706 where: short stacking energy: -356.686 Base-Backbone interact. energy: -4.235 local terms energy: -415.762285 where: bonds (distance) C4'-P energy: -72.327 bonds (distance) P-C4' energy: -81.071 flat angles C4'-P-C4' energy: -86.061 flat angles P-C4'-P energy: -59.632 tors. eta vs tors. theta energy: -116.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1210.752806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.752806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.752806 (E_RNA) where: Base-Base interactions energy: -800.958 where: short stacking energy: -343.396 Base-Backbone interact. energy: -1.327 local terms energy: -408.467769 where: bonds (distance) C4'-P energy: -81.687 bonds (distance) P-C4' energy: -79.771 flat angles C4'-P-C4' energy: -88.758 flat angles P-C4'-P energy: -57.632 tors. eta vs tors. theta energy: -100.619 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: 8 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1036.027322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.027322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.027322 (E_RNA) where: Base-Base interactions energy: -702.758 where: short stacking energy: -283.118 Base-Backbone interact. energy: -2.658 local terms energy: -330.611495 where: bonds (distance) C4'-P energy: -78.587 bonds (distance) P-C4' energy: -67.476 flat angles C4'-P-C4' energy: -73.253 flat angles P-C4'-P energy: -38.013 tors. eta vs tors. theta energy: -73.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -967.107024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.107024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.107024 (E_RNA) where: Base-Base interactions energy: -627.605 where: short stacking energy: -285.984 Base-Backbone interact. energy: -1.501 local terms energy: -338.001571 where: bonds (distance) C4'-P energy: -48.715 bonds (distance) P-C4' energy: -75.316 flat angles C4'-P-C4' energy: -82.796 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -78.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -772.651735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.651735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.651735 (E_RNA) where: Base-Base interactions energy: -475.158 where: short stacking energy: -216.031 Base-Backbone interact. energy: -1.099 local terms energy: -296.394832 where: bonds (distance) C4'-P energy: -65.386 bonds (distance) P-C4' energy: -78.919 flat angles C4'-P-C4' energy: -72.761 flat angles P-C4'-P energy: -32.749 tors. eta vs tors. theta energy: -46.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -534.017571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.017571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.017571 (E_RNA) where: Base-Base interactions energy: -260.134 where: short stacking energy: -127.157 Base-Backbone interact. energy: -3.037 local terms energy: -270.845989 where: bonds (distance) C4'-P energy: -67.848 bonds (distance) P-C4' energy: -73.726 flat angles C4'-P-C4' energy: -78.453 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: -8.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -422.508514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.508514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.508514 (E_RNA) where: Base-Base interactions energy: -168.519 where: short stacking energy: -119.622 Base-Backbone interact. energy: -0.629 local terms energy: -253.360749 where: bonds (distance) C4'-P energy: -69.772 bonds (distance) P-C4' energy: -70.732 flat angles C4'-P-C4' energy: -62.071 flat angles P-C4'-P energy: -41.818 tors. eta vs tors. theta energy: -8.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -381.986215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.986215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.986215 (E_RNA) where: Base-Base interactions energy: -165.048 where: short stacking energy: -143.631 Base-Backbone interact. energy: 0.455 local terms energy: -217.393296 where: bonds (distance) C4'-P energy: -56.030 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -47.192 flat angles P-C4'-P energy: -38.718 tors. eta vs tors. theta energy: -5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -311.623051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.623051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.623051 (E_RNA) where: Base-Base interactions energy: -101.154 where: short stacking energy: -87.078 Base-Backbone interact. energy: -1.261 local terms energy: -209.207819 where: bonds (distance) C4'-P energy: -71.415 bonds (distance) P-C4' energy: -75.931 flat angles C4'-P-C4' energy: -49.863 flat angles P-C4'-P energy: -28.554 tors. eta vs tors. theta energy: 16.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1297.684766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.684766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.684766 (E_RNA) where: Base-Base interactions energy: -842.265 where: short stacking energy: -368.288 Base-Backbone interact. energy: -0.853 local terms energy: -454.566874 where: bonds (distance) C4'-P energy: -85.147 bonds (distance) P-C4' energy: -93.332 flat angles C4'-P-C4' energy: -94.997 flat angles P-C4'-P energy: -61.591 tors. eta vs tors. theta energy: -119.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1265.687136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.687136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.687136 (E_RNA) where: Base-Base interactions energy: -849.207 where: short stacking energy: -361.855 Base-Backbone interact. energy: -1.354 local terms energy: -415.125552 where: bonds (distance) C4'-P energy: -81.288 bonds (distance) P-C4' energy: -75.784 flat angles C4'-P-C4' energy: -88.286 flat angles P-C4'-P energy: -59.387 tors. eta vs tors. theta energy: -110.380 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: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1186.404869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.404869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.404869 (E_RNA) where: Base-Base interactions energy: -793.598 where: short stacking energy: -344.395 Base-Backbone interact. energy: 1.333 local terms energy: -394.140750 where: bonds (distance) C4'-P energy: -83.250 bonds (distance) P-C4' energy: -68.045 flat angles C4'-P-C4' energy: -91.027 flat angles P-C4'-P energy: -51.640 tors. eta vs tors. theta energy: -100.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1053.592363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.592363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.592363 (E_RNA) where: Base-Base interactions energy: -706.848 where: short stacking energy: -295.208 Base-Backbone interact. energy: -0.594 local terms energy: -346.150101 where: bonds (distance) C4'-P energy: -64.258 bonds (distance) P-C4' energy: -64.989 flat angles C4'-P-C4' energy: -76.637 flat angles P-C4'-P energy: -59.590 tors. eta vs tors. theta energy: -80.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -956.708131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.708131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.708131 (E_RNA) where: Base-Base interactions energy: -609.790 where: short stacking energy: -274.601 Base-Backbone interact. energy: 0.864 local terms energy: -347.782836 where: bonds (distance) C4'-P energy: -75.088 bonds (distance) P-C4' energy: -63.882 flat angles C4'-P-C4' energy: -81.589 flat angles P-C4'-P energy: -54.274 tors. eta vs tors. theta energy: -72.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -779.528452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.528452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.528452 (E_RNA) where: Base-Base interactions energy: -469.327 where: short stacking energy: -229.232 Base-Backbone interact. energy: -3.705 local terms energy: -306.497131 where: bonds (distance) C4'-P energy: -73.551 bonds (distance) P-C4' energy: -72.255 flat angles C4'-P-C4' energy: -69.879 flat angles P-C4'-P energy: -42.034 tors. eta vs tors. theta energy: -48.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -601.800588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.800588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.800588 (E_RNA) where: Base-Base interactions energy: -312.168 where: short stacking energy: -167.565 Base-Backbone interact. energy: -0.366 local terms energy: -289.266900 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -77.151 flat angles C4'-P-C4' energy: -72.313 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -24.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -455.025979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.025979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.025979 (E_RNA) where: Base-Base interactions energy: -220.819 where: short stacking energy: -132.698 Base-Backbone interact. energy: -1.124 local terms energy: -233.082600 where: bonds (distance) C4'-P energy: -53.317 bonds (distance) P-C4' energy: -74.948 flat angles C4'-P-C4' energy: -71.215 flat angles P-C4'-P energy: -33.240 tors. eta vs tors. theta energy: -0.362 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: 126 Temperature: 1.300000 Total energy: -330.121837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.121837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.121837 (E_RNA) where: Base-Base interactions energy: -101.910 where: short stacking energy: -93.761 Base-Backbone interact. energy: 1.283 local terms energy: -229.494715 where: bonds (distance) C4'-P energy: -68.224 bonds (distance) P-C4' energy: -72.491 flat angles C4'-P-C4' energy: -49.028 flat angles P-C4'-P energy: -37.320 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -318.235547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.235547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.235547 (E_RNA) where: Base-Base interactions energy: -93.198 where: short stacking energy: -77.646 Base-Backbone interact. energy: -3.469 local terms energy: -221.569305 where: bonds (distance) C4'-P energy: -72.609 bonds (distance) P-C4' energy: -73.210 flat angles C4'-P-C4' energy: -56.826 flat angles P-C4'-P energy: -36.051 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: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1280.021904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.021904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.021904 (E_RNA) where: Base-Base interactions energy: -857.213 where: short stacking energy: -384.527 Base-Backbone interact. energy: 0.858 local terms energy: -423.666595 where: bonds (distance) C4'-P energy: -78.961 bonds (distance) P-C4' energy: -82.704 flat angles C4'-P-C4' energy: -93.390 flat angles P-C4'-P energy: -48.283 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1272.647190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.647190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.647190 (E_RNA) where: Base-Base interactions energy: -854.042 where: short stacking energy: -356.200 Base-Backbone interact. energy: 1.199 local terms energy: -419.804652 where: bonds (distance) C4'-P energy: -87.796 bonds (distance) P-C4' energy: -79.372 flat angles C4'-P-C4' energy: -94.243 flat angles P-C4'-P energy: -54.131 tors. eta vs tors. theta energy: -104.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1213.858801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.858801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.858801 (E_RNA) where: Base-Base interactions energy: -828.537 where: short stacking energy: -365.190 Base-Backbone interact. energy: -2.966 local terms energy: -382.355984 where: bonds (distance) C4'-P energy: -72.341 bonds (distance) P-C4' energy: -72.120 flat angles C4'-P-C4' energy: -80.787 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -99.122 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: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1040.234030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.234030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.234030 (E_RNA) where: Base-Base interactions energy: -696.302 where: short stacking energy: -316.094 Base-Backbone interact. energy: -1.229 local terms energy: -342.702710 where: bonds (distance) C4'-P energy: -66.222 bonds (distance) P-C4' energy: -70.979 flat angles C4'-P-C4' energy: -77.897 flat angles P-C4'-P energy: -51.651 tors. eta vs tors. theta energy: -75.953 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: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -966.167052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.167052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.167052 (E_RNA) where: Base-Base interactions energy: -630.099 where: short stacking energy: -267.314 Base-Backbone interact. energy: -0.270 local terms energy: -335.798662 where: bonds (distance) C4'-P energy: -70.920 bonds (distance) P-C4' energy: -80.353 flat angles C4'-P-C4' energy: -70.258 flat angles P-C4'-P energy: -47.075 tors. eta vs tors. theta energy: -67.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -775.499865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.499865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.499865 (E_RNA) where: Base-Base interactions energy: -464.284 where: short stacking energy: -216.824 Base-Backbone interact. energy: -0.972 local terms energy: -310.243967 where: bonds (distance) C4'-P energy: -70.984 bonds (distance) P-C4' energy: -81.294 flat angles C4'-P-C4' energy: -53.145 flat angles P-C4'-P energy: -42.893 tors. eta vs tors. theta energy: -61.927 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: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -638.236400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.236400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.236400 (E_RNA) where: Base-Base interactions energy: -400.106 where: short stacking energy: -188.140 Base-Backbone interact. energy: 6.570 local terms energy: -244.700197 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -56.420 flat angles C4'-P-C4' energy: -47.009 flat angles P-C4'-P energy: -41.696 tors. eta vs tors. theta energy: -27.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -428.841151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.841151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.841151 (E_RNA) where: Base-Base interactions energy: -199.407 where: short stacking energy: -113.121 Base-Backbone interact. energy: 0.488 local terms energy: -229.922248 where: bonds (distance) C4'-P energy: -64.858 bonds (distance) P-C4' energy: -69.995 flat angles C4'-P-C4' energy: -69.400 flat angles P-C4'-P energy: -26.133 tors. eta vs tors. theta energy: 0.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -319.521057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.521057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.521057 (E_RNA) where: Base-Base interactions energy: -99.184 where: short stacking energy: -78.357 Base-Backbone interact. energy: -0.092 local terms energy: -220.245220 where: bonds (distance) C4'-P energy: -72.105 bonds (distance) P-C4' energy: -74.606 flat angles C4'-P-C4' energy: -57.449 flat angles P-C4'-P energy: -19.930 tors. eta vs tors. theta energy: 3.845 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: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -340.972923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.972923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.972923 (E_RNA) where: Base-Base interactions energy: -99.249 where: short stacking energy: -92.488 Base-Backbone interact. energy: 0.695 local terms energy: -242.419044 where: bonds (distance) C4'-P energy: -66.999 bonds (distance) P-C4' energy: -76.726 flat angles C4'-P-C4' energy: -65.481 flat angles P-C4'-P energy: -40.287 tors. eta vs tors. theta energy: 7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1315.187628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.187628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.187628 (E_RNA) where: Base-Base interactions energy: -911.388 where: short stacking energy: -379.362 Base-Backbone interact. energy: 7.260 local terms energy: -411.059505 where: bonds (distance) C4'-P energy: -78.869 bonds (distance) P-C4' energy: -75.544 flat angles C4'-P-C4' energy: -90.863 flat angles P-C4'-P energy: -57.629 tors. eta vs tors. theta energy: -108.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1233.890454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.890454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.890454 (E_RNA) where: Base-Base interactions energy: -821.288 where: short stacking energy: -387.953 Base-Backbone interact. energy: -1.366 local terms energy: -411.236729 where: bonds (distance) C4'-P energy: -73.164 bonds (distance) P-C4' energy: -74.648 flat angles C4'-P-C4' energy: -87.476 flat angles P-C4'-P energy: -62.589 tors. eta vs tors. theta energy: -113.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1200.193551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.193551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.193551 (E_RNA) where: Base-Base interactions energy: -814.703 where: short stacking energy: -356.345 Base-Backbone interact. energy: 1.832 local terms energy: -387.321960 where: bonds (distance) C4'-P energy: -66.077 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -86.223 flat angles P-C4'-P energy: -54.433 tors. eta vs tors. theta energy: -106.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1036.259184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.259184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.259184 (E_RNA) where: Base-Base interactions energy: -698.881 where: short stacking energy: -282.801 Base-Backbone interact. energy: -0.495 local terms energy: -336.882617 where: bonds (distance) C4'-P energy: -68.666 bonds (distance) P-C4' energy: -66.488 flat angles C4'-P-C4' energy: -74.487 flat angles P-C4'-P energy: -50.771 tors. eta vs tors. theta energy: -76.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -966.637465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.637465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.637465 (E_RNA) where: Base-Base interactions energy: -627.740 where: short stacking energy: -271.146 Base-Backbone interact. energy: -3.476 local terms energy: -335.422079 where: bonds (distance) C4'-P energy: -65.210 bonds (distance) P-C4' energy: -72.783 flat angles C4'-P-C4' energy: -68.044 flat angles P-C4'-P energy: -49.261 tors. eta vs tors. theta energy: -80.125 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: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -824.302296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.302296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.302296 (E_RNA) where: Base-Base interactions energy: -489.979 where: short stacking energy: -229.535 Base-Backbone interact. energy: -0.255 local terms energy: -334.067874 where: bonds (distance) C4'-P energy: -72.074 bonds (distance) P-C4' energy: -80.356 flat angles C4'-P-C4' energy: -69.903 flat angles P-C4'-P energy: -55.580 tors. eta vs tors. theta energy: -56.155 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: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -693.095908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.095908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.095908 (E_RNA) where: Base-Base interactions energy: -389.649 where: short stacking energy: -199.700 Base-Backbone interact. energy: -2.985 local terms energy: -300.461485 where: bonds (distance) C4'-P energy: -89.480 bonds (distance) P-C4' energy: -64.506 flat angles C4'-P-C4' energy: -60.093 flat angles P-C4'-P energy: -45.097 tors. eta vs tors. theta energy: -41.286 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: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -493.570213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.570213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.570213 (E_RNA) where: Base-Base interactions energy: -239.478 where: short stacking energy: -111.727 Base-Backbone interact. energy: -3.029 local terms energy: -251.062317 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -77.075 flat angles C4'-P-C4' energy: -64.624 flat angles P-C4'-P energy: -42.413 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -349.435140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.435140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.435140 (E_RNA) where: Base-Base interactions energy: -118.698 where: short stacking energy: -83.697 Base-Backbone interact. energy: -0.608 local terms energy: -230.128955 where: bonds (distance) C4'-P energy: -73.370 bonds (distance) P-C4' energy: -73.623 flat angles C4'-P-C4' energy: -59.637 flat angles P-C4'-P energy: -33.525 tors. eta vs tors. theta energy: 10.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -291.930839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.930839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.930839 (E_RNA) where: Base-Base interactions energy: -97.427 where: short stacking energy: -76.927 Base-Backbone interact. energy: 1.420 local terms energy: -195.924183 where: bonds (distance) C4'-P energy: -53.291 bonds (distance) P-C4' energy: -69.098 flat angles C4'-P-C4' energy: -49.153 flat angles P-C4'-P energy: -34.125 tors. eta vs tors. theta energy: 9.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1290.866080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.866080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.866080 (E_RNA) where: Base-Base interactions energy: -871.490 where: short stacking energy: -377.976 Base-Backbone interact. energy: -0.200 local terms energy: -419.175291 where: bonds (distance) C4'-P energy: -78.872 bonds (distance) P-C4' energy: -76.230 flat angles C4'-P-C4' energy: -93.651 flat angles P-C4'-P energy: -63.381 tors. eta vs tors. theta energy: -107.040 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: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1227.540462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.540462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.540462 (E_RNA) where: Base-Base interactions energy: -800.926 where: short stacking energy: -359.623 Base-Backbone interact. energy: -2.596 local terms energy: -424.018448 where: bonds (distance) C4'-P energy: -76.049 bonds (distance) P-C4' energy: -86.116 flat angles C4'-P-C4' energy: -90.873 flat angles P-C4'-P energy: -62.434 tors. eta vs tors. theta energy: -108.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1196.030874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.030874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.030874 (E_RNA) where: Base-Base interactions energy: -816.139 where: short stacking energy: -348.484 Base-Backbone interact. energy: -4.687 local terms energy: -375.205031 where: bonds (distance) C4'-P energy: -69.786 bonds (distance) P-C4' energy: -67.319 flat angles C4'-P-C4' energy: -79.968 flat angles P-C4'-P energy: -54.145 tors. eta vs tors. theta energy: -103.987 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: 4, replica: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1075.530305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.530305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.530305 (E_RNA) where: Base-Base interactions energy: -712.581 where: short stacking energy: -305.678 Base-Backbone interact. energy: 4.669 local terms energy: -367.619114 where: bonds (distance) C4'-P energy: -73.018 bonds (distance) P-C4' energy: -82.612 flat angles C4'-P-C4' energy: -79.485 flat angles P-C4'-P energy: -48.699 tors. eta vs tors. theta energy: -83.805 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: 5, replica: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -976.257552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.257552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.257552 (E_RNA) where: Base-Base interactions energy: -629.953 where: short stacking energy: -306.751 Base-Backbone interact. energy: 1.707 local terms energy: -348.011918 where: bonds (distance) C4'-P energy: -63.183 bonds (distance) P-C4' energy: -76.756 flat angles C4'-P-C4' energy: -69.378 flat angles P-C4'-P energy: -44.280 tors. eta vs tors. theta energy: -94.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -806.688457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.688457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.688457 (E_RNA) where: Base-Base interactions energy: -501.592 where: short stacking energy: -219.145 Base-Backbone interact. energy: -0.475 local terms energy: -304.621282 where: bonds (distance) C4'-P energy: -70.493 bonds (distance) P-C4' energy: -78.726 flat angles C4'-P-C4' energy: -63.975 flat angles P-C4'-P energy: -46.109 tors. eta vs tors. theta energy: -45.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -661.000990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.000990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.000990 (E_RNA) where: Base-Base interactions energy: -380.683 where: short stacking energy: -194.212 Base-Backbone interact. energy: 3.878 local terms energy: -284.196088 where: bonds (distance) C4'-P energy: -77.319 bonds (distance) P-C4' energy: -68.918 flat angles C4'-P-C4' energy: -52.840 flat angles P-C4'-P energy: -44.101 tors. eta vs tors. theta energy: -41.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -527.108612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.108612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.108612 (E_RNA) where: Base-Base interactions energy: -280.152 where: short stacking energy: -148.083 Base-Backbone interact. energy: -2.030 local terms energy: -244.926011 where: bonds (distance) C4'-P energy: -58.768 bonds (distance) P-C4' energy: -62.851 flat angles C4'-P-C4' energy: -61.135 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: -16.269 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: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -329.958298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.958298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.958298 (E_RNA) where: Base-Base interactions energy: -115.853 where: short stacking energy: -106.635 Base-Backbone interact. energy: 1.652 local terms energy: -215.756964 where: bonds (distance) C4'-P energy: -76.408 bonds (distance) P-C4' energy: -63.327 flat angles C4'-P-C4' energy: -54.566 flat angles P-C4'-P energy: -29.900 tors. eta vs tors. theta energy: 8.445 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: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -333.802125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.802125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.802125 (E_RNA) where: Base-Base interactions energy: -154.717 where: short stacking energy: -111.555 Base-Backbone interact. energy: 2.959 local terms energy: -182.044284 where: bonds (distance) C4'-P energy: -56.380 bonds (distance) P-C4' energy: -54.149 flat angles C4'-P-C4' energy: -52.694 flat angles P-C4'-P energy: -18.379 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1312.812561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.812561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.812561 (E_RNA) where: Base-Base interactions energy: -887.042 where: short stacking energy: -376.176 Base-Backbone interact. energy: -0.161 local terms energy: -425.609045 where: bonds (distance) C4'-P energy: -78.166 bonds (distance) P-C4' energy: -83.507 flat angles C4'-P-C4' energy: -97.571 flat angles P-C4'-P energy: -55.364 tors. eta vs tors. theta energy: -111.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1223.546755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.546755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.546755 (E_RNA) where: Base-Base interactions energy: -809.928 where: short stacking energy: -351.917 Base-Backbone interact. energy: -0.766 local terms energy: -412.853229 where: bonds (distance) C4'-P energy: -80.703 bonds (distance) P-C4' energy: -80.299 flat angles C4'-P-C4' energy: -82.570 flat angles P-C4'-P energy: -49.147 tors. eta vs tors. theta energy: -120.134 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: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1111.054423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.054423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.054423 (E_RNA) where: Base-Base interactions energy: -727.643 where: short stacking energy: -329.463 Base-Backbone interact. energy: -0.700 local terms energy: -382.711364 where: bonds (distance) C4'-P energy: -73.749 bonds (distance) P-C4' energy: -86.232 flat angles C4'-P-C4' energy: -82.363 flat angles P-C4'-P energy: -46.225 tors. eta vs tors. theta energy: -94.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1146.237627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.237627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.237627 (E_RNA) where: Base-Base interactions energy: -766.690 where: short stacking energy: -339.605 Base-Backbone interact. energy: -2.652 local terms energy: -376.896378 where: bonds (distance) C4'-P energy: -72.981 bonds (distance) P-C4' energy: -67.622 flat angles C4'-P-C4' energy: -86.167 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -96.294 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: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1008.370189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.370189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.370189 (E_RNA) where: Base-Base interactions energy: -652.590 where: short stacking energy: -270.148 Base-Backbone interact. energy: -0.984 local terms energy: -354.796279 where: bonds (distance) C4'-P energy: -66.597 bonds (distance) P-C4' energy: -71.559 flat angles C4'-P-C4' energy: -78.652 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: -86.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -806.969604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.969604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.969604 (E_RNA) where: Base-Base interactions energy: -501.104 where: short stacking energy: -245.445 Base-Backbone interact. energy: -4.667 local terms energy: -301.198813 where: bonds (distance) C4'-P energy: -57.207 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -83.253 flat angles P-C4'-P energy: -21.596 tors. eta vs tors. theta energy: -70.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -662.494616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.494616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.494616 (E_RNA) where: Base-Base interactions energy: -400.496 where: short stacking energy: -202.631 Base-Backbone interact. energy: 0.757 local terms energy: -262.755157 where: bonds (distance) C4'-P energy: -61.394 bonds (distance) P-C4' energy: -76.690 flat angles C4'-P-C4' energy: -68.196 flat angles P-C4'-P energy: -32.758 tors. eta vs tors. theta energy: -23.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -470.538279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.538279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.538279 (E_RNA) where: Base-Base interactions energy: -228.615 where: short stacking energy: -127.004 Base-Backbone interact. energy: 2.074 local terms energy: -243.996874 where: bonds (distance) C4'-P energy: -72.420 bonds (distance) P-C4' energy: -70.278 flat angles C4'-P-C4' energy: -66.964 flat angles P-C4'-P energy: -29.263 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: 9, replica: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -330.793000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.793000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.793000 (E_RNA) where: Base-Base interactions energy: -111.529 where: short stacking energy: -85.312 Base-Backbone interact. energy: -0.442 local terms energy: -218.822929 where: bonds (distance) C4'-P energy: -70.612 bonds (distance) P-C4' energy: -60.817 flat angles C4'-P-C4' energy: -61.339 flat angles P-C4'-P energy: -30.692 tors. eta vs tors. theta energy: 4.637 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: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -343.997546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.997546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.997546 (E_RNA) where: Base-Base interactions energy: -131.550 where: short stacking energy: -108.706 Base-Backbone interact. energy: -1.686 local terms energy: -210.761208 where: bonds (distance) C4'-P energy: -67.722 bonds (distance) P-C4' energy: -58.133 flat angles C4'-P-C4' energy: -55.751 flat angles P-C4'-P energy: -30.632 tors. eta vs tors. theta energy: 1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1315.231557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.231557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.231557 (E_RNA) where: Base-Base interactions energy: -902.760 where: short stacking energy: -378.814 Base-Backbone interact. energy: -1.265 local terms energy: -411.207472 where: bonds (distance) C4'-P energy: -82.520 bonds (distance) P-C4' energy: -82.346 flat angles C4'-P-C4' energy: -73.694 flat angles P-C4'-P energy: -63.103 tors. eta vs tors. theta energy: -109.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1209.989260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.989260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.989260 (E_RNA) where: Base-Base interactions energy: -793.929 where: short stacking energy: -366.838 Base-Backbone interact. energy: -2.656 local terms energy: -413.404689 where: bonds (distance) C4'-P energy: -76.649 bonds (distance) P-C4' energy: -83.452 flat angles C4'-P-C4' energy: -92.090 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -113.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1092.059556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.059556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.059556 (E_RNA) where: Base-Base interactions energy: -717.997 where: short stacking energy: -306.711 Base-Backbone interact. energy: -0.559 local terms energy: -373.503170 where: bonds (distance) C4'-P energy: -69.872 bonds (distance) P-C4' energy: -82.010 flat angles C4'-P-C4' energy: -81.095 flat angles P-C4'-P energy: -58.877 tors. eta vs tors. theta energy: -81.649 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: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1054.228410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.228410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.228410 (E_RNA) where: Base-Base interactions energy: -700.884 where: short stacking energy: -292.599 Base-Backbone interact. energy: -0.888 local terms energy: -352.456044 where: bonds (distance) C4'-P energy: -72.841 bonds (distance) P-C4' energy: -63.206 flat angles C4'-P-C4' energy: -74.915 flat angles P-C4'-P energy: -54.926 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: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1074.073225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.073225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.073225 (E_RNA) where: Base-Base interactions energy: -703.293 where: short stacking energy: -303.233 Base-Backbone interact. energy: -2.828 local terms energy: -367.952587 where: bonds (distance) C4'-P energy: -67.011 bonds (distance) P-C4' energy: -69.205 flat angles C4'-P-C4' energy: -84.053 flat angles P-C4'-P energy: -53.889 tors. eta vs tors. theta energy: -93.795 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: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -765.987510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.987510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.987510 (E_RNA) where: Base-Base interactions energy: -445.731 where: short stacking energy: -212.629 Base-Backbone interact. energy: 0.408 local terms energy: -320.663907 where: bonds (distance) C4'-P energy: -73.432 bonds (distance) P-C4' energy: -74.027 flat angles C4'-P-C4' energy: -71.492 flat angles P-C4'-P energy: -49.124 tors. eta vs tors. theta energy: -52.589 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: 131 Temperature: 1.200000 Total energy: -639.721404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.721404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.721404 (E_RNA) where: Base-Base interactions energy: -358.946 where: short stacking energy: -178.686 Base-Backbone interact. energy: -1.169 local terms energy: -279.605791 where: bonds (distance) C4'-P energy: -58.173 bonds (distance) P-C4' energy: -74.959 flat angles C4'-P-C4' energy: -67.323 flat angles P-C4'-P energy: -44.573 tors. eta vs tors. theta energy: -34.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -466.178590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.178590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.178590 (E_RNA) where: Base-Base interactions energy: -244.438 where: short stacking energy: -135.991 Base-Backbone interact. energy: 0.982 local terms energy: -222.722433 where: bonds (distance) C4'-P energy: -61.035 bonds (distance) P-C4' energy: -66.647 flat angles C4'-P-C4' energy: -54.221 flat angles P-C4'-P energy: -32.096 tors. eta vs tors. theta energy: -8.724 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: 131 Temperature: 1.300000 Total energy: -320.332015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.332015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.332015 (E_RNA) where: Base-Base interactions energy: -111.294 where: short stacking energy: -90.833 Base-Backbone interact. energy: 0.755 local terms energy: -209.793362 where: bonds (distance) C4'-P energy: -52.616 bonds (distance) P-C4' energy: -62.527 flat angles C4'-P-C4' energy: -60.979 flat angles P-C4'-P energy: -38.487 tors. eta vs tors. theta energy: 4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -325.528469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.528469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.528469 (E_RNA) where: Base-Base interactions energy: -124.302 where: short stacking energy: -106.436 Base-Backbone interact. energy: 1.523 local terms energy: -202.748690 where: bonds (distance) C4'-P energy: -69.612 bonds (distance) P-C4' energy: -63.332 flat angles C4'-P-C4' energy: -41.387 flat angles P-C4'-P energy: -33.572 tors. eta vs tors. theta energy: 5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1304.751809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.751809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.751809 (E_RNA) where: Base-Base interactions energy: -881.128 where: short stacking energy: -375.296 Base-Backbone interact. energy: 0.736 local terms energy: -424.360423 where: bonds (distance) C4'-P energy: -89.926 bonds (distance) P-C4' energy: -76.293 flat angles C4'-P-C4' energy: -83.502 flat angles P-C4'-P energy: -67.466 tors. eta vs tors. theta energy: -107.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1257.102325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.102325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.102325 (E_RNA) where: Base-Base interactions energy: -832.919 where: short stacking energy: -366.950 Base-Backbone interact. energy: -1.794 local terms energy: -422.388472 where: bonds (distance) C4'-P energy: -80.268 bonds (distance) P-C4' energy: -69.783 flat angles C4'-P-C4' energy: -82.166 flat angles P-C4'-P energy: -74.306 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: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1115.436961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.436961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.436961 (E_RNA) where: Base-Base interactions energy: -737.903 where: short stacking energy: -318.755 Base-Backbone interact. energy: -1.882 local terms energy: -375.651363 where: bonds (distance) C4'-P energy: -80.934 bonds (distance) P-C4' energy: -64.731 flat angles C4'-P-C4' energy: -83.936 flat angles P-C4'-P energy: -54.226 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: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1073.245685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.245685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.245685 (E_RNA) where: Base-Base interactions energy: -708.157 where: short stacking energy: -321.001 Base-Backbone interact. energy: 0.482 local terms energy: -365.571322 where: bonds (distance) C4'-P energy: -62.789 bonds (distance) P-C4' energy: -74.634 flat angles C4'-P-C4' energy: -80.246 flat angles P-C4'-P energy: -51.846 tors. eta vs tors. theta energy: -96.057 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: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1080.650571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.650571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.650571 (E_RNA) where: Base-Base interactions energy: -703.207 where: short stacking energy: -314.356 Base-Backbone interact. energy: -3.632 local terms energy: -373.811918 where: bonds (distance) C4'-P energy: -72.633 bonds (distance) P-C4' energy: -68.826 flat angles C4'-P-C4' energy: -70.337 flat angles P-C4'-P energy: -60.302 tors. eta vs tors. theta energy: -101.714 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: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -826.843944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.843944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.843944 (E_RNA) where: Base-Base interactions energy: -510.341 where: short stacking energy: -258.345 Base-Backbone interact. energy: -0.627 local terms energy: -315.876033 where: bonds (distance) C4'-P energy: -62.764 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -77.508 flat angles P-C4'-P energy: -54.770 tors. eta vs tors. theta energy: -61.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -692.744600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.744600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.744600 (E_RNA) where: Base-Base interactions energy: -391.574 where: short stacking energy: -195.031 Base-Backbone interact. energy: -0.819 local terms energy: -300.351056 where: bonds (distance) C4'-P energy: -63.202 bonds (distance) P-C4' energy: -73.035 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -50.866 tors. eta vs tors. theta energy: -45.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -456.637283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.637283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.637283 (E_RNA) where: Base-Base interactions energy: -212.090 where: short stacking energy: -128.844 Base-Backbone interact. energy: -3.017 local terms energy: -241.530136 where: bonds (distance) C4'-P energy: -56.972 bonds (distance) P-C4' energy: -76.081 flat angles C4'-P-C4' energy: -68.181 flat angles P-C4'-P energy: -38.286 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -340.030206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.030206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.030206 (E_RNA) where: Base-Base interactions energy: -132.530 where: short stacking energy: -98.340 Base-Backbone interact. energy: 3.372 local terms energy: -210.872785 where: bonds (distance) C4'-P energy: -68.221 bonds (distance) P-C4' energy: -66.859 flat angles C4'-P-C4' energy: -49.825 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: 5.088 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: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -324.142576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.142576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.142576 (E_RNA) where: Base-Base interactions energy: -105.671 where: short stacking energy: -78.874 Base-Backbone interact. energy: 6.178 local terms energy: -224.649890 where: bonds (distance) C4'-P energy: -73.933 bonds (distance) P-C4' energy: -75.743 flat angles C4'-P-C4' energy: -45.308 flat angles P-C4'-P energy: -46.914 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: 1, replica: 6 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1271.316758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.316758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.316758 (E_RNA) where: Base-Base interactions energy: -871.013 where: short stacking energy: -357.254 Base-Backbone interact. energy: -2.302 local terms energy: -398.001802 where: bonds (distance) C4'-P energy: -67.230 bonds (distance) P-C4' energy: -73.136 flat angles C4'-P-C4' energy: -88.924 flat angles P-C4'-P energy: -66.771 tors. eta vs tors. theta energy: -101.941 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: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1223.006323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.006323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.006323 (E_RNA) where: Base-Base interactions energy: -810.674 where: short stacking energy: -382.965 Base-Backbone interact. energy: -2.779 local terms energy: -409.553043 where: bonds (distance) C4'-P energy: -70.220 bonds (distance) P-C4' energy: -76.508 flat angles C4'-P-C4' energy: -84.847 flat angles P-C4'-P energy: -63.131 tors. eta vs tors. theta energy: -114.846 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: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1127.051168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.051168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.051168 (E_RNA) where: Base-Base interactions energy: -751.765 where: short stacking energy: -337.468 Base-Backbone interact. energy: -1.028 local terms energy: -374.258789 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -65.029 flat angles C4'-P-C4' energy: -87.103 flat angles P-C4'-P energy: -54.896 tors. eta vs tors. theta energy: -109.326 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: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1106.795552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.795552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.795552 (E_RNA) where: Base-Base interactions energy: -725.071 where: short stacking energy: -305.615 Base-Backbone interact. energy: -2.662 local terms energy: -379.062182 where: bonds (distance) C4'-P energy: -68.555 bonds (distance) P-C4' energy: -84.356 flat angles C4'-P-C4' energy: -81.153 flat angles P-C4'-P energy: -58.999 tors. eta vs tors. theta energy: -85.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1024.896488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.896488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.896488 (E_RNA) where: Base-Base interactions energy: -678.001 where: short stacking energy: -287.233 Base-Backbone interact. energy: -1.052 local terms energy: -345.843736 where: bonds (distance) C4'-P energy: -70.480 bonds (distance) P-C4' energy: -66.820 flat angles C4'-P-C4' energy: -78.298 flat angles P-C4'-P energy: -34.828 tors. eta vs tors. theta energy: -95.418 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: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -802.557342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.557342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.557342 (E_RNA) where: Base-Base interactions energy: -503.976 where: short stacking energy: -241.875 Base-Backbone interact. energy: 1.190 local terms energy: -299.770792 where: bonds (distance) C4'-P energy: -59.447 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -68.710 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -58.079 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: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -659.017664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.017664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.017664 (E_RNA) where: Base-Base interactions energy: -368.051 where: short stacking energy: -187.080 Base-Backbone interact. energy: -0.537 local terms energy: -290.429716 where: bonds (distance) C4'-P energy: -61.005 bonds (distance) P-C4' energy: -80.038 flat angles C4'-P-C4' energy: -68.182 flat angles P-C4'-P energy: -48.599 tors. eta vs tors. theta energy: -32.605 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: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -461.014957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.014957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.014957 (E_RNA) where: Base-Base interactions energy: -197.291 where: short stacking energy: -130.770 Base-Backbone interact. energy: -2.341 local terms energy: -261.382602 where: bonds (distance) C4'-P energy: -73.875 bonds (distance) P-C4' energy: -72.699 flat angles C4'-P-C4' energy: -69.393 flat angles P-C4'-P energy: -39.629 tors. eta vs tors. theta energy: -5.787 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: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -344.288649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.288649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.288649 (E_RNA) where: Base-Base interactions energy: -119.435 where: short stacking energy: -97.529 Base-Backbone interact. energy: 0.442 local terms energy: -225.295633 where: bonds (distance) C4'-P energy: -69.218 bonds (distance) P-C4' energy: -66.211 flat angles C4'-P-C4' energy: -74.736 flat angles P-C4'-P energy: -31.841 tors. eta vs tors. theta energy: 16.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -310.043122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.043122 (E_RNA) where: Base-Base interactions energy: -118.294 where: short stacking energy: -100.671 Base-Backbone interact. energy: -2.092 local terms energy: -189.657584 where: bonds (distance) C4'-P energy: -41.861 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -66.167 flat angles P-C4'-P energy: -24.425 tors. eta vs tors. theta energy: 10.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1275.883131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.883131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.883131 (E_RNA) where: Base-Base interactions energy: -873.925 where: short stacking energy: -379.871 Base-Backbone interact. energy: 5.683 local terms energy: -407.641364 where: bonds (distance) C4'-P energy: -85.917 bonds (distance) P-C4' energy: -75.544 flat angles C4'-P-C4' energy: -84.057 flat angles P-C4'-P energy: -58.103 tors. eta vs tors. theta energy: -104.020 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: 134 Temperature: 0.950000 Total energy: -1219.446530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.446530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.446530 (E_RNA) where: Base-Base interactions energy: -797.405 where: short stacking energy: -369.202 Base-Backbone interact. energy: -1.163 local terms energy: -420.878234 where: bonds (distance) C4'-P energy: -81.587 bonds (distance) P-C4' energy: -73.270 flat angles C4'-P-C4' energy: -92.952 flat angles P-C4'-P energy: -54.932 tors. eta vs tors. theta energy: -118.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1160.357137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.357137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.357137 (E_RNA) where: Base-Base interactions energy: -766.563 where: short stacking energy: -335.252 Base-Backbone interact. energy: -0.559 local terms energy: -393.236055 where: bonds (distance) C4'-P energy: -63.923 bonds (distance) P-C4' energy: -83.217 flat angles C4'-P-C4' energy: -88.835 flat angles P-C4'-P energy: -53.823 tors. eta vs tors. theta energy: -103.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1060.412953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.412953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.412953 (E_RNA) where: Base-Base interactions energy: -709.756 where: short stacking energy: -308.150 Base-Backbone interact. energy: 2.294 local terms energy: -352.951382 where: bonds (distance) C4'-P energy: -75.964 bonds (distance) P-C4' energy: -53.099 flat angles C4'-P-C4' energy: -89.854 flat angles P-C4'-P energy: -49.877 tors. eta vs tors. theta energy: -84.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1009.755463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.755463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.755463 (E_RNA) where: Base-Base interactions energy: -659.116 where: short stacking energy: -285.378 Base-Backbone interact. energy: 0.007 local terms energy: -350.646320 where: bonds (distance) C4'-P energy: -75.053 bonds (distance) P-C4' energy: -74.108 flat angles C4'-P-C4' energy: -84.986 flat angles P-C4'-P energy: -34.593 tors. eta vs tors. theta energy: -81.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -830.897262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.897262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.897262 (E_RNA) where: Base-Base interactions energy: -501.342 where: short stacking energy: -230.676 Base-Backbone interact. energy: -2.135 local terms energy: -327.420634 where: bonds (distance) C4'-P energy: -76.920 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -79.684 flat angles P-C4'-P energy: -42.727 tors. eta vs tors. theta energy: -60.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -647.052646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.052646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.052646 (E_RNA) where: Base-Base interactions energy: -369.719 where: short stacking energy: -183.664 Base-Backbone interact. energy: -1.879 local terms energy: -275.454731 where: bonds (distance) C4'-P energy: -67.829 bonds (distance) P-C4' energy: -68.709 flat angles C4'-P-C4' energy: -65.403 flat angles P-C4'-P energy: -46.049 tors. eta vs tors. theta energy: -27.465 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: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -428.745096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.745096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.745096 (E_RNA) where: Base-Base interactions energy: -189.796 where: short stacking energy: -126.339 Base-Backbone interact. energy: 5.228 local terms energy: -244.177124 where: bonds (distance) C4'-P energy: -65.008 bonds (distance) P-C4' energy: -74.774 flat angles C4'-P-C4' energy: -65.449 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -376.267370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.267370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.267370 (E_RNA) where: Base-Base interactions energy: -137.129 where: short stacking energy: -100.405 Base-Backbone interact. energy: -1.525 local terms energy: -237.613003 where: bonds (distance) C4'-P energy: -65.119 bonds (distance) P-C4' energy: -72.468 flat angles C4'-P-C4' energy: -60.780 flat angles P-C4'-P energy: -46.597 tors. eta vs tors. theta energy: 7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -286.836938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.836938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.836938 (E_RNA) where: Base-Base interactions energy: -96.542 where: short stacking energy: -80.554 Base-Backbone interact. energy: 0.793 local terms energy: -191.088570 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -60.742 flat angles C4'-P-C4' energy: -48.709 flat angles P-C4'-P energy: -29.304 tors. eta vs tors. theta energy: 10.068 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: 6 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1301.941747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.941747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.941747 (E_RNA) where: Base-Base interactions energy: -890.253 where: short stacking energy: -386.971 Base-Backbone interact. energy: -0.537 local terms energy: -411.152000 where: bonds (distance) C4'-P energy: -76.128 bonds (distance) P-C4' energy: -79.098 flat angles C4'-P-C4' energy: -85.292 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -107.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1263.141069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.141069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.141069 (E_RNA) where: Base-Base interactions energy: -834.920 where: short stacking energy: -371.394 Base-Backbone interact. energy: -2.965 local terms energy: -425.255276 where: bonds (distance) C4'-P energy: -89.935 bonds (distance) P-C4' energy: -85.426 flat angles C4'-P-C4' energy: -77.310 flat angles P-C4'-P energy: -51.337 tors. eta vs tors. theta energy: -121.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1123.322114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.322114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.322114 (E_RNA) where: Base-Base interactions energy: -736.231 where: short stacking energy: -319.296 Base-Backbone interact. energy: -0.432 local terms energy: -386.659368 where: bonds (distance) C4'-P energy: -76.407 bonds (distance) P-C4' energy: -77.945 flat angles C4'-P-C4' energy: -86.718 flat angles P-C4'-P energy: -56.310 tors. eta vs tors. theta energy: -89.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1043.984148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.984148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.984148 (E_RNA) where: Base-Base interactions energy: -673.750 where: short stacking energy: -319.650 Base-Backbone interact. energy: -0.850 local terms energy: -369.384192 where: bonds (distance) C4'-P energy: -74.490 bonds (distance) P-C4' energy: -70.687 flat angles C4'-P-C4' energy: -85.511 flat angles P-C4'-P energy: -51.549 tors. eta vs tors. theta energy: -87.147 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: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1035.109304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.109304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.109304 (E_RNA) where: Base-Base interactions energy: -698.334 where: short stacking energy: -275.077 Base-Backbone interact. energy: -1.990 local terms energy: -334.785682 where: bonds (distance) C4'-P energy: -63.897 bonds (distance) P-C4' energy: -72.652 flat angles C4'-P-C4' energy: -81.035 flat angles P-C4'-P energy: -52.327 tors. eta vs tors. theta energy: -64.876 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: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -844.670130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.670130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.670130 (E_RNA) where: Base-Base interactions energy: -532.462 where: short stacking energy: -247.092 Base-Backbone interact. energy: -2.893 local terms energy: -309.315417 where: bonds (distance) C4'-P energy: -70.579 bonds (distance) P-C4' energy: -60.962 flat angles C4'-P-C4' energy: -77.341 flat angles P-C4'-P energy: -42.386 tors. eta vs tors. theta energy: -58.047 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: 7, replica: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -659.101809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.101809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.101809 (E_RNA) where: Base-Base interactions energy: -372.956 where: short stacking energy: -188.750 Base-Backbone interact. energy: -1.553 local terms energy: -284.593529 where: bonds (distance) C4'-P energy: -59.271 bonds (distance) P-C4' energy: -92.107 flat angles C4'-P-C4' energy: -55.208 flat angles P-C4'-P energy: -46.827 tors. eta vs tors. theta energy: -31.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -440.117630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.117630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.117630 (E_RNA) where: Base-Base interactions energy: -215.141 where: short stacking energy: -124.503 Base-Backbone interact. energy: -0.139 local terms energy: -224.837145 where: bonds (distance) C4'-P energy: -72.420 bonds (distance) P-C4' energy: -66.146 flat angles C4'-P-C4' energy: -61.000 flat angles P-C4'-P energy: -29.288 tors. eta vs tors. theta energy: 4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -347.940474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.940474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.940474 (E_RNA) where: Base-Base interactions energy: -129.357 where: short stacking energy: -91.111 Base-Backbone interact. energy: -0.713 local terms energy: -217.871180 where: bonds (distance) C4'-P energy: -79.873 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -52.478 flat angles P-C4'-P energy: -33.430 tors. eta vs tors. theta energy: 12.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -300.521136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.521136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.521136 (E_RNA) where: Base-Base interactions energy: -95.105 where: short stacking energy: -91.628 Base-Backbone interact. energy: -1.142 local terms energy: -204.274676 where: bonds (distance) C4'-P energy: -52.405 bonds (distance) P-C4' energy: -76.759 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -24.512 tors. eta vs tors. theta energy: 8.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1300.967109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.967109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.967109 (E_RNA) where: Base-Base interactions energy: -883.764 where: short stacking energy: -364.838 Base-Backbone interact. energy: -0.749 local terms energy: -416.454025 where: bonds (distance) C4'-P energy: -80.742 bonds (distance) P-C4' energy: -87.456 flat angles C4'-P-C4' energy: -86.704 flat angles P-C4'-P energy: -60.244 tors. eta vs tors. theta energy: -101.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1217.149073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.149073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.149073 (E_RNA) where: Base-Base interactions energy: -818.399 where: short stacking energy: -351.896 Base-Backbone interact. energy: 0.217 local terms energy: -398.966842 where: bonds (distance) C4'-P energy: -70.332 bonds (distance) P-C4' energy: -83.527 flat angles C4'-P-C4' energy: -88.610 flat angles P-C4'-P energy: -54.968 tors. eta vs tors. theta energy: -101.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1113.338302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.338302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.338302 (E_RNA) where: Base-Base interactions energy: -737.520 where: short stacking energy: -346.747 Base-Backbone interact. energy: 0.131 local terms energy: -375.949475 where: bonds (distance) C4'-P energy: -74.670 bonds (distance) P-C4' energy: -77.203 flat angles C4'-P-C4' energy: -82.386 flat angles P-C4'-P energy: -48.459 tors. eta vs tors. theta energy: -93.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1086.429022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.429022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.429022 (E_RNA) where: Base-Base interactions energy: -729.768 where: short stacking energy: -324.458 Base-Backbone interact. energy: -1.072 local terms energy: -355.589141 where: bonds (distance) C4'-P energy: -74.946 bonds (distance) P-C4' energy: -69.032 flat angles C4'-P-C4' energy: -75.827 flat angles P-C4'-P energy: -52.002 tors. eta vs tors. theta energy: -83.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1017.834007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.834007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.834007 (E_RNA) where: Base-Base interactions energy: -664.750 where: short stacking energy: -283.345 Base-Backbone interact. energy: -3.665 local terms energy: -349.419513 where: bonds (distance) C4'-P energy: -74.091 bonds (distance) P-C4' energy: -67.889 flat angles C4'-P-C4' energy: -73.169 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -77.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -854.814395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.814395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.814395 (E_RNA) where: Base-Base interactions energy: -526.934 where: short stacking energy: -226.388 Base-Backbone interact. energy: 0.767 local terms energy: -328.647408 where: bonds (distance) C4'-P energy: -72.234 bonds (distance) P-C4' energy: -66.278 flat angles C4'-P-C4' energy: -74.311 flat angles P-C4'-P energy: -56.918 tors. eta vs tors. theta energy: -58.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -662.616937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.616937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.616937 (E_RNA) where: Base-Base interactions energy: -376.615 where: short stacking energy: -172.397 Base-Backbone interact. energy: 4.093 local terms energy: -290.094792 where: bonds (distance) C4'-P energy: -75.548 bonds (distance) P-C4' energy: -67.867 flat angles C4'-P-C4' energy: -69.645 flat angles P-C4'-P energy: -45.689 tors. eta vs tors. theta energy: -31.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -453.227299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.227299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.227299 (E_RNA) where: Base-Base interactions energy: -208.564 where: short stacking energy: -128.615 Base-Backbone interact. energy: 2.445 local terms energy: -247.107463 where: bonds (distance) C4'-P energy: -76.330 bonds (distance) P-C4' energy: -76.081 flat angles C4'-P-C4' energy: -52.921 flat angles P-C4'-P energy: -38.952 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -317.297837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.297837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.297837 (E_RNA) where: Base-Base interactions energy: -100.650 where: short stacking energy: -64.092 Base-Backbone interact. energy: 2.511 local terms energy: -219.158686 where: bonds (distance) C4'-P energy: -62.872 bonds (distance) P-C4' energy: -69.474 flat angles C4'-P-C4' energy: -68.883 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: 18.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -315.217922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.217922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.217922 (E_RNA) where: Base-Base interactions energy: -128.470 where: short stacking energy: -91.840 Base-Backbone interact. energy: -2.803 local terms energy: -183.945110 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -48.963 flat angles C4'-P-C4' energy: -62.392 flat angles P-C4'-P energy: -27.327 tors. eta vs tors. theta energy: 10.178 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: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1298.886641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.886641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.886641 (E_RNA) where: Base-Base interactions energy: -905.718 where: short stacking energy: -345.968 Base-Backbone interact. energy: -3.508 local terms energy: -389.660583 where: bonds (distance) C4'-P energy: -75.137 bonds (distance) P-C4' energy: -77.700 flat angles C4'-P-C4' energy: -72.090 flat angles P-C4'-P energy: -58.651 tors. eta vs tors. theta energy: -106.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1208.814154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.814154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.814154 (E_RNA) where: Base-Base interactions energy: -793.197 where: short stacking energy: -335.919 Base-Backbone interact. energy: -2.801 local terms energy: -412.816532 where: bonds (distance) C4'-P energy: -86.830 bonds (distance) P-C4' energy: -75.094 flat angles C4'-P-C4' energy: -93.546 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: -107.068 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: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1099.698784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.698784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.698784 (E_RNA) where: Base-Base interactions energy: -737.622 where: short stacking energy: -301.773 Base-Backbone interact. energy: -0.151 local terms energy: -361.925332 where: bonds (distance) C4'-P energy: -72.227 bonds (distance) P-C4' energy: -82.755 flat angles C4'-P-C4' energy: -77.117 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -76.170 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: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1065.180008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.180008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.180008 (E_RNA) where: Base-Base interactions energy: -707.040 where: short stacking energy: -319.431 Base-Backbone interact. energy: -1.795 local terms energy: -356.344775 where: bonds (distance) C4'-P energy: -66.612 bonds (distance) P-C4' energy: -65.719 flat angles C4'-P-C4' energy: -82.459 flat angles P-C4'-P energy: -44.255 tors. eta vs tors. theta energy: -97.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1019.862029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.862029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.862029 (E_RNA) where: Base-Base interactions energy: -655.272 where: short stacking energy: -290.370 Base-Backbone interact. energy: -3.573 local terms energy: -361.016902 where: bonds (distance) C4'-P energy: -72.367 bonds (distance) P-C4' energy: -81.249 flat angles C4'-P-C4' energy: -77.544 flat angles P-C4'-P energy: -50.856 tors. eta vs tors. theta energy: -79.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -824.759797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.759797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.759797 (E_RNA) where: Base-Base interactions energy: -516.972 where: short stacking energy: -233.723 Base-Backbone interact. energy: -0.932 local terms energy: -306.855077 where: bonds (distance) C4'-P energy: -74.578 bonds (distance) P-C4' energy: -68.484 flat angles C4'-P-C4' energy: -74.419 flat angles P-C4'-P energy: -30.415 tors. eta vs tors. theta energy: -58.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -614.689871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.689871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.689871 (E_RNA) where: Base-Base interactions energy: -358.046 where: short stacking energy: -188.042 Base-Backbone interact. energy: -1.443 local terms energy: -255.200868 where: bonds (distance) C4'-P energy: -54.637 bonds (distance) P-C4' energy: -60.193 flat angles C4'-P-C4' energy: -69.475 flat angles P-C4'-P energy: -39.415 tors. eta vs tors. theta energy: -31.480 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: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -431.996896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.996896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.996896 (E_RNA) where: Base-Base interactions energy: -179.731 where: short stacking energy: -109.143 Base-Backbone interact. energy: -1.828 local terms energy: -250.437737 where: bonds (distance) C4'-P energy: -59.259 bonds (distance) P-C4' energy: -87.998 flat angles C4'-P-C4' energy: -67.612 flat angles P-C4'-P energy: -30.055 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -377.546661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.546661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.546661 (E_RNA) where: Base-Base interactions energy: -133.434 where: short stacking energy: -114.639 Base-Backbone interact. energy: 1.071 local terms energy: -245.184227 where: bonds (distance) C4'-P energy: -68.003 bonds (distance) P-C4' energy: -75.717 flat angles C4'-P-C4' energy: -65.168 flat angles P-C4'-P energy: -35.016 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -323.409923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.409923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.409923 (E_RNA) where: Base-Base interactions energy: -103.526 where: short stacking energy: -72.016 Base-Backbone interact. energy: -0.538 local terms energy: -219.346348 where: bonds (distance) C4'-P energy: -68.188 bonds (distance) P-C4' energy: -75.746 flat angles C4'-P-C4' energy: -55.683 flat angles P-C4'-P energy: -30.558 tors. eta vs tors. theta energy: 10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1327.461911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.461911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.461911 (E_RNA) where: Base-Base interactions energy: -917.732 where: short stacking energy: -352.839 Base-Backbone interact. energy: -1.310 local terms energy: -408.419811 where: bonds (distance) C4'-P energy: -77.733 bonds (distance) P-C4' energy: -82.102 flat angles C4'-P-C4' energy: -82.228 flat angles P-C4'-P energy: -59.806 tors. eta vs tors. theta energy: -106.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1225.922519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.922519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.922519 (E_RNA) where: Base-Base interactions energy: -808.992 where: short stacking energy: -379.590 Base-Backbone interact. energy: 2.477 local terms energy: -419.408231 where: bonds (distance) C4'-P energy: -77.829 bonds (distance) P-C4' energy: -70.140 flat angles C4'-P-C4' energy: -93.416 flat angles P-C4'-P energy: -63.555 tors. eta vs tors. theta energy: -114.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1116.821303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.821303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.821303 (E_RNA) where: Base-Base interactions energy: -728.238 where: short stacking energy: -317.664 Base-Backbone interact. energy: -1.304 local terms energy: -387.279437 where: bonds (distance) C4'-P energy: -71.849 bonds (distance) P-C4' energy: -85.454 flat angles C4'-P-C4' energy: -81.639 flat angles P-C4'-P energy: -56.635 tors. eta vs tors. theta energy: -91.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1110.885799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.885799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.885799 (E_RNA) where: Base-Base interactions energy: -739.153 where: short stacking energy: -299.239 Base-Backbone interact. energy: -0.906 local terms energy: -370.827132 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -79.327 flat angles C4'-P-C4' energy: -85.178 flat angles P-C4'-P energy: -64.655 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: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1109.097244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.097244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.097244 (E_RNA) where: Base-Base interactions energy: -723.359 where: short stacking energy: -321.111 Base-Backbone interact. energy: -0.923 local terms energy: -384.815294 where: bonds (distance) C4'-P energy: -77.327 bonds (distance) P-C4' energy: -75.228 flat angles C4'-P-C4' energy: -84.799 flat angles P-C4'-P energy: -48.660 tors. eta vs tors. theta energy: -98.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -842.910240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.910240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.910240 (E_RNA) where: Base-Base interactions energy: -498.702 where: short stacking energy: -237.089 Base-Backbone interact. energy: -1.082 local terms energy: -343.126187 where: bonds (distance) C4'-P energy: -78.289 bonds (distance) P-C4' energy: -83.088 flat angles C4'-P-C4' energy: -73.412 flat angles P-C4'-P energy: -46.555 tors. eta vs tors. theta energy: -61.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -609.819353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.819353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.819353 (E_RNA) where: Base-Base interactions energy: -316.174 where: short stacking energy: -165.900 Base-Backbone interact. energy: -0.294 local terms energy: -293.351302 where: bonds (distance) C4'-P energy: -67.113 bonds (distance) P-C4' energy: -82.912 flat angles C4'-P-C4' energy: -70.388 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -30.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -449.220023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.220023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.220023 (E_RNA) where: Base-Base interactions energy: -198.332 where: short stacking energy: -136.896 Base-Backbone interact. energy: 2.927 local terms energy: -253.814775 where: bonds (distance) C4'-P energy: -63.365 bonds (distance) P-C4' energy: -71.469 flat angles C4'-P-C4' energy: -54.836 flat angles P-C4'-P energy: -48.349 tors. eta vs tors. theta energy: -15.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -408.442634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.442634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.442634 (E_RNA) where: Base-Base interactions energy: -190.343 where: short stacking energy: -118.467 Base-Backbone interact. energy: -0.588 local terms energy: -217.511480 where: bonds (distance) C4'-P energy: -56.811 bonds (distance) P-C4' energy: -69.142 flat angles C4'-P-C4' energy: -55.937 flat angles P-C4'-P energy: -31.589 tors. eta vs tors. theta energy: -4.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -294.134119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.134119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.134119 (E_RNA) where: Base-Base interactions energy: -85.449 where: short stacking energy: -59.419 Base-Backbone interact. energy: -0.385 local terms energy: -208.300935 where: bonds (distance) C4'-P energy: -68.057 bonds (distance) P-C4' energy: -70.762 flat angles C4'-P-C4' energy: -56.805 flat angles P-C4'-P energy: -41.783 tors. eta vs tors. theta energy: 29.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1305.868608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.868608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.868608 (E_RNA) where: Base-Base interactions energy: -885.605 where: short stacking energy: -363.030 Base-Backbone interact. energy: -2.106 local terms energy: -418.157457 where: bonds (distance) C4'-P energy: -78.679 bonds (distance) P-C4' energy: -80.683 flat angles C4'-P-C4' energy: -93.141 flat angles P-C4'-P energy: -62.046 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: 2, replica: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1210.995474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.995474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.995474 (E_RNA) where: Base-Base interactions energy: -816.064 where: short stacking energy: -355.662 Base-Backbone interact. energy: -0.896 local terms energy: -394.035869 where: bonds (distance) C4'-P energy: -79.472 bonds (distance) P-C4' energy: -69.927 flat angles C4'-P-C4' energy: -89.241 flat angles P-C4'-P energy: -53.116 tors. eta vs tors. theta energy: -102.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1122.855783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.855783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.855783 (E_RNA) where: Base-Base interactions energy: -752.373 where: short stacking energy: -318.170 Base-Backbone interact. energy: -0.183 local terms energy: -370.299408 where: bonds (distance) C4'-P energy: -71.943 bonds (distance) P-C4' energy: -75.209 flat angles C4'-P-C4' energy: -81.980 flat angles P-C4'-P energy: -48.412 tors. eta vs tors. theta energy: -92.755 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: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1128.875745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.875745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.875745 (E_RNA) where: Base-Base interactions energy: -747.081 where: short stacking energy: -325.340 Base-Backbone interact. energy: -2.273 local terms energy: -379.521828 where: bonds (distance) C4'-P energy: -63.483 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -82.674 flat angles P-C4'-P energy: -43.884 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: 5, replica: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1046.729063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.729063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.729063 (E_RNA) where: Base-Base interactions energy: -690.569 where: short stacking energy: -288.712 Base-Backbone interact. energy: 0.304 local terms energy: -356.464588 where: bonds (distance) C4'-P energy: -69.614 bonds (distance) P-C4' energy: -82.443 flat angles C4'-P-C4' energy: -77.491 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -82.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -795.132719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.132719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.132719 (E_RNA) where: Base-Base interactions energy: -479.581 where: short stacking energy: -210.118 Base-Backbone interact. energy: -0.184 local terms energy: -315.367570 where: bonds (distance) C4'-P energy: -73.207 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -64.467 flat angles P-C4'-P energy: -47.382 tors. eta vs tors. theta energy: -53.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -669.457214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.457214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.457214 (E_RNA) where: Base-Base interactions energy: -392.474 where: short stacking energy: -180.515 Base-Backbone interact. energy: -0.091 local terms energy: -276.892590 where: bonds (distance) C4'-P energy: -64.329 bonds (distance) P-C4' energy: -67.877 flat angles C4'-P-C4' energy: -71.057 flat angles P-C4'-P energy: -44.917 tors. eta vs tors. theta energy: -28.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -488.193149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.193149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.193149 (E_RNA) where: Base-Base interactions energy: -211.843 where: short stacking energy: -137.591 Base-Backbone interact. energy: -0.417 local terms energy: -275.932876 where: bonds (distance) C4'-P energy: -72.080 bonds (distance) P-C4' energy: -69.273 flat angles C4'-P-C4' energy: -73.438 flat angles P-C4'-P energy: -39.408 tors. eta vs tors. theta energy: -21.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -333.788901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.788901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.788901 (E_RNA) where: Base-Base interactions energy: -121.435 where: short stacking energy: -91.653 Base-Backbone interact. energy: 2.472 local terms energy: -214.825643 where: bonds (distance) C4'-P energy: -72.993 bonds (distance) P-C4' energy: -73.655 flat angles C4'-P-C4' energy: -53.691 flat angles P-C4'-P energy: -33.575 tors. eta vs tors. theta energy: 19.089 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: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -330.766330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.766330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.766330 (E_RNA) where: Base-Base interactions energy: -125.399 where: short stacking energy: -101.978 Base-Backbone interact. energy: -3.127 local terms energy: -202.240101 where: bonds (distance) C4'-P energy: -61.027 bonds (distance) P-C4' energy: -66.466 flat angles C4'-P-C4' energy: -61.249 flat angles P-C4'-P energy: -21.358 tors. eta vs tors. theta energy: 7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1309.219130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.219130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.219130 (E_RNA) where: Base-Base interactions energy: -890.493 where: short stacking energy: -376.137 Base-Backbone interact. energy: -1.224 local terms energy: -417.502283 where: bonds (distance) C4'-P energy: -76.855 bonds (distance) P-C4' energy: -90.993 flat angles C4'-P-C4' energy: -88.123 flat angles P-C4'-P energy: -56.374 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: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1202.948865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.948865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.948865 (E_RNA) where: Base-Base interactions energy: -807.753 where: short stacking energy: -367.573 Base-Backbone interact. energy: 8.184 local terms energy: -403.380302 where: bonds (distance) C4'-P energy: -68.542 bonds (distance) P-C4' energy: -68.880 flat angles C4'-P-C4' energy: -93.524 flat angles P-C4'-P energy: -64.703 tors. eta vs tors. theta energy: -107.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1140.836556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.836556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.836556 (E_RNA) where: Base-Base interactions energy: -766.431 where: short stacking energy: -330.220 Base-Backbone interact. energy: -0.027 local terms energy: -374.379064 where: bonds (distance) C4'-P energy: -69.453 bonds (distance) P-C4' energy: -74.107 flat angles C4'-P-C4' energy: -82.439 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: -99.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1120.790357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.790357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.790357 (E_RNA) where: Base-Base interactions energy: -763.051 where: short stacking energy: -338.793 Base-Backbone interact. energy: -0.109 local terms energy: -357.630593 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -79.953 flat angles C4'-P-C4' energy: -81.852 flat angles P-C4'-P energy: -44.623 tors. eta vs tors. theta energy: -88.556 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: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -994.353177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.353177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.353177 (E_RNA) where: Base-Base interactions energy: -670.943 where: short stacking energy: -276.050 Base-Backbone interact. energy: -1.013 local terms energy: -322.397104 where: bonds (distance) C4'-P energy: -55.603 bonds (distance) P-C4' energy: -80.994 flat angles C4'-P-C4' energy: -66.194 flat angles P-C4'-P energy: -56.372 tors. eta vs tors. theta energy: -63.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -775.166273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.166273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.166273 (E_RNA) where: Base-Base interactions energy: -476.416 where: short stacking energy: -219.066 Base-Backbone interact. energy: -2.641 local terms energy: -296.109268 where: bonds (distance) C4'-P energy: -75.001 bonds (distance) P-C4' energy: -68.745 flat angles C4'-P-C4' energy: -66.993 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: -45.722 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: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -688.139027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.139027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.139027 (E_RNA) where: Base-Base interactions energy: -404.147 where: short stacking energy: -191.411 Base-Backbone interact. energy: 0.537 local terms energy: -284.528441 where: bonds (distance) C4'-P energy: -65.714 bonds (distance) P-C4' energy: -69.787 flat angles C4'-P-C4' energy: -64.524 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: -39.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -429.509466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.509466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.509466 (E_RNA) where: Base-Base interactions energy: -211.873 where: short stacking energy: -133.055 Base-Backbone interact. energy: 2.180 local terms energy: -219.816534 where: bonds (distance) C4'-P energy: -65.071 bonds (distance) P-C4' energy: -70.261 flat angles C4'-P-C4' energy: -61.285 flat angles P-C4'-P energy: -28.505 tors. eta vs tors. theta energy: 5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -359.208523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.208523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.208523 (E_RNA) where: Base-Base interactions energy: -150.855 where: short stacking energy: -92.902 Base-Backbone interact. energy: 2.032 local terms energy: -210.385607 where: bonds (distance) C4'-P energy: -62.594 bonds (distance) P-C4' energy: -59.850 flat angles C4'-P-C4' energy: -64.967 flat angles P-C4'-P energy: -40.069 tors. eta vs tors. theta energy: 17.095 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: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -341.642208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.642208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.642208 (E_RNA) where: Base-Base interactions energy: -116.417 where: short stacking energy: -108.755 Base-Backbone interact. energy: 1.823 local terms energy: -227.047953 where: bonds (distance) C4'-P energy: -70.010 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -62.877 flat angles P-C4'-P energy: -29.800 tors. eta vs tors. theta energy: 2.353 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: 6 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1324.421955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.421955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.421955 (E_RNA) where: Base-Base interactions energy: -900.038 where: short stacking energy: -358.259 Base-Backbone interact. energy: 1.393 local terms energy: -425.776823 where: bonds (distance) C4'-P energy: -79.224 bonds (distance) P-C4' energy: -88.295 flat angles C4'-P-C4' energy: -93.841 flat angles P-C4'-P energy: -61.628 tors. eta vs tors. theta energy: -102.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1188.896876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.896876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.896876 (E_RNA) where: Base-Base interactions energy: -804.831 where: short stacking energy: -332.000 Base-Backbone interact. energy: 1.802 local terms energy: -385.867508 where: bonds (distance) C4'-P energy: -70.529 bonds (distance) P-C4' energy: -81.857 flat angles C4'-P-C4' energy: -75.172 flat angles P-C4'-P energy: -58.327 tors. eta vs tors. theta energy: -99.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1131.562196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.562196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.562196 (E_RNA) where: Base-Base interactions energy: -750.949 where: short stacking energy: -332.442 Base-Backbone interact. energy: -1.111 local terms energy: -379.501876 where: bonds (distance) C4'-P energy: -76.947 bonds (distance) P-C4' energy: -75.425 flat angles C4'-P-C4' energy: -76.979 flat angles P-C4'-P energy: -62.152 tors. eta vs tors. theta energy: -87.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1131.888313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.888313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.888313 (E_RNA) where: Base-Base interactions energy: -759.151 where: short stacking energy: -323.664 Base-Backbone interact. energy: -2.238 local terms energy: -370.498974 where: bonds (distance) C4'-P energy: -66.732 bonds (distance) P-C4' energy: -75.490 flat angles C4'-P-C4' energy: -81.533 flat angles P-C4'-P energy: -49.945 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: 5, replica: 8 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1015.566313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.566313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.566313 (E_RNA) where: Base-Base interactions energy: -643.564 where: short stacking energy: -263.275 Base-Backbone interact. energy: 0.279 local terms energy: -372.281880 where: bonds (distance) C4'-P energy: -77.623 bonds (distance) P-C4' energy: -79.054 flat angles C4'-P-C4' energy: -77.570 flat angles P-C4'-P energy: -49.617 tors. eta vs tors. theta energy: -88.418 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: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -777.565845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.565845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.565845 (E_RNA) where: Base-Base interactions energy: -472.589 where: short stacking energy: -208.968 Base-Backbone interact. energy: -1.683 local terms energy: -303.293264 where: bonds (distance) C4'-P energy: -71.959 bonds (distance) P-C4' energy: -68.597 flat angles C4'-P-C4' energy: -61.306 flat angles P-C4'-P energy: -58.048 tors. eta vs tors. theta energy: -43.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -717.218087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.218087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.218087 (E_RNA) where: Base-Base interactions energy: -431.353 where: short stacking energy: -199.044 Base-Backbone interact. energy: -2.769 local terms energy: -283.095850 where: bonds (distance) C4'-P energy: -64.552 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -67.246 flat angles P-C4'-P energy: -46.669 tors. eta vs tors. theta energy: -44.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -413.595588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.595588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.595588 (E_RNA) where: Base-Base interactions energy: -229.916 where: short stacking energy: -138.551 Base-Backbone interact. energy: -2.985 local terms energy: -180.695012 where: bonds (distance) C4'-P energy: -58.468 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -61.734 flat angles P-C4'-P energy: 0.901 tors. eta vs tors. theta energy: 0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -414.707564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.707564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.707564 (E_RNA) where: Base-Base interactions energy: -175.877 where: short stacking energy: -114.233 Base-Backbone interact. energy: -3.124 local terms energy: -235.706336 where: bonds (distance) C4'-P energy: -54.975 bonds (distance) P-C4' energy: -78.248 flat angles C4'-P-C4' energy: -55.559 flat angles P-C4'-P energy: -43.753 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -299.812243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.812243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.812243 (E_RNA) where: Base-Base interactions energy: -107.386 where: short stacking energy: -87.398 Base-Backbone interact. energy: -1.345 local terms energy: -191.081272 where: bonds (distance) C4'-P energy: -50.779 bonds (distance) P-C4' energy: -75.148 flat angles C4'-P-C4' energy: -50.688 flat angles P-C4'-P energy: -25.914 tors. eta vs tors. theta energy: 11.448 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: 6 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1314.883794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.883794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.883794 (E_RNA) where: Base-Base interactions energy: -900.454 where: short stacking energy: -356.324 Base-Backbone interact. energy: -1.845 local terms energy: -412.584690 where: bonds (distance) C4'-P energy: -85.520 bonds (distance) P-C4' energy: -88.482 flat angles C4'-P-C4' energy: -82.696 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -102.257 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: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1208.201955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.201955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.201955 (E_RNA) where: Base-Base interactions energy: -787.963 where: short stacking energy: -347.738 Base-Backbone interact. energy: -0.808 local terms energy: -419.430622 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -82.416 flat angles C4'-P-C4' energy: -86.485 flat angles P-C4'-P energy: -62.638 tors. eta vs tors. theta energy: -104.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1142.587917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.587917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.587917 (E_RNA) where: Base-Base interactions energy: -792.442 where: short stacking energy: -334.790 Base-Backbone interact. energy: -3.304 local terms energy: -346.841679 where: bonds (distance) C4'-P energy: -68.037 bonds (distance) P-C4' energy: -77.700 flat angles C4'-P-C4' energy: -71.349 flat angles P-C4'-P energy: -36.598 tors. eta vs tors. theta energy: -93.158 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: 142 Temperature: 1.050000 Total energy: -1093.070729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.070729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.070729 (E_RNA) where: Base-Base interactions energy: -721.541 where: short stacking energy: -319.299 Base-Backbone interact. energy: 3.077 local terms energy: -374.606976 where: bonds (distance) C4'-P energy: -80.000 bonds (distance) P-C4' energy: -82.699 flat angles C4'-P-C4' energy: -80.483 flat angles P-C4'-P energy: -44.011 tors. eta vs tors. theta energy: -87.414 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: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -994.443061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.443061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.443061 (E_RNA) where: Base-Base interactions energy: -653.162 where: short stacking energy: -287.121 Base-Backbone interact. energy: -2.384 local terms energy: -338.897456 where: bonds (distance) C4'-P energy: -74.163 bonds (distance) P-C4' energy: -68.762 flat angles C4'-P-C4' energy: -72.525 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -76.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -852.495776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.495776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.495776 (E_RNA) where: Base-Base interactions energy: -531.004 where: short stacking energy: -246.870 Base-Backbone interact. energy: -0.785 local terms energy: -320.706095 where: bonds (distance) C4'-P energy: -71.355 bonds (distance) P-C4' energy: -70.144 flat angles C4'-P-C4' energy: -75.072 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -56.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -698.360771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.360771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.360771 (E_RNA) where: Base-Base interactions energy: -424.766 where: short stacking energy: -197.375 Base-Backbone interact. energy: -0.230 local terms energy: -273.364281 where: bonds (distance) C4'-P energy: -58.239 bonds (distance) P-C4' energy: -77.253 flat angles C4'-P-C4' energy: -65.307 flat angles P-C4'-P energy: -37.829 tors. eta vs tors. theta energy: -34.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -434.157776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.157776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.157776 (E_RNA) where: Base-Base interactions energy: -189.435 where: short stacking energy: -125.744 Base-Backbone interact. energy: 0.044 local terms energy: -244.767114 where: bonds (distance) C4'-P energy: -72.314 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -64.255 flat angles P-C4'-P energy: -40.988 tors. eta vs tors. theta energy: -0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -428.244089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.244089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.244089 (E_RNA) where: Base-Base interactions energy: -220.960 where: short stacking energy: -122.445 Base-Backbone interact. energy: -2.141 local terms energy: -205.143031 where: bonds (distance) C4'-P energy: -61.798 bonds (distance) P-C4' energy: -71.771 flat angles C4'-P-C4' energy: -41.942 flat angles P-C4'-P energy: -36.925 tors. eta vs tors. theta energy: 7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -305.175928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.175928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.175928 (E_RNA) where: Base-Base interactions energy: -98.539 where: short stacking energy: -66.984 Base-Backbone interact. energy: 2.085 local terms energy: -208.722344 where: bonds (distance) C4'-P energy: -86.087 bonds (distance) P-C4' energy: -68.374 flat angles C4'-P-C4' energy: -60.450 flat angles P-C4'-P energy: -22.676 tors. eta vs tors. theta energy: 28.865 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: 1, replica: 6 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1300.528078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.528078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.528078 (E_RNA) where: Base-Base interactions energy: -880.560 where: short stacking energy: -365.856 Base-Backbone interact. energy: -1.901 local terms energy: -418.067019 where: bonds (distance) C4'-P energy: -85.981 bonds (distance) P-C4' energy: -87.373 flat angles C4'-P-C4' energy: -83.497 flat angles P-C4'-P energy: -54.972 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: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1190.570141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.570141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.570141 (E_RNA) where: Base-Base interactions energy: -791.048 where: short stacking energy: -340.361 Base-Backbone interact. energy: -0.667 local terms energy: -398.854438 where: bonds (distance) C4'-P energy: -80.621 bonds (distance) P-C4' energy: -78.946 flat angles C4'-P-C4' energy: -82.532 flat angles P-C4'-P energy: -53.974 tors. eta vs tors. theta energy: -102.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1174.468530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.468530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.468530 (E_RNA) where: Base-Base interactions energy: -793.530 where: short stacking energy: -355.450 Base-Backbone interact. energy: 1.777 local terms energy: -382.715233 where: bonds (distance) C4'-P energy: -71.266 bonds (distance) P-C4' energy: -76.678 flat angles C4'-P-C4' energy: -83.154 flat angles P-C4'-P energy: -49.406 tors. eta vs tors. theta energy: -102.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1101.604270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.604270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.604270 (E_RNA) where: Base-Base interactions energy: -728.591 where: short stacking energy: -320.672 Base-Backbone interact. energy: -1.641 local terms energy: -371.372437 where: bonds (distance) C4'-P energy: -61.981 bonds (distance) P-C4' energy: -81.992 flat angles C4'-P-C4' energy: -79.597 flat angles P-C4'-P energy: -52.353 tors. eta vs tors. theta energy: -95.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1037.474500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.474500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.474500 (E_RNA) where: Base-Base interactions energy: -696.004 where: short stacking energy: -305.120 Base-Backbone interact. energy: -0.757 local terms energy: -340.713690 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -65.362 flat angles C4'-P-C4' energy: -85.017 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: -85.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -833.856181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.856181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.856181 (E_RNA) where: Base-Base interactions energy: -533.834 where: short stacking energy: -250.047 Base-Backbone interact. energy: 1.847 local terms energy: -301.869204 where: bonds (distance) C4'-P energy: -69.547 bonds (distance) P-C4' energy: -68.992 flat angles C4'-P-C4' energy: -73.943 flat angles P-C4'-P energy: -27.317 tors. eta vs tors. theta energy: -62.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -696.499302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.499302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.499302 (E_RNA) where: Base-Base interactions energy: -410.122 where: short stacking energy: -201.488 Base-Backbone interact. energy: 6.922 local terms energy: -293.299469 where: bonds (distance) C4'-P energy: -78.531 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -72.407 flat angles P-C4'-P energy: -42.036 tors. eta vs tors. theta energy: -32.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -435.953978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.953978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.953978 (E_RNA) where: Base-Base interactions energy: -199.905 where: short stacking energy: -138.404 Base-Backbone interact. energy: 0.002 local terms energy: -236.051239 where: bonds (distance) C4'-P energy: -62.655 bonds (distance) P-C4' energy: -62.557 flat angles C4'-P-C4' energy: -66.328 flat angles P-C4'-P energy: -42.122 tors. eta vs tors. theta energy: -2.390 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: 143 Temperature: 1.300000 Total energy: -350.665103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.665103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.665103 (E_RNA) where: Base-Base interactions energy: -126.983 where: short stacking energy: -97.152 Base-Backbone interact. energy: 0.310 local terms energy: -223.992806 where: bonds (distance) C4'-P energy: -59.480 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -59.338 flat angles P-C4'-P energy: -38.568 tors. eta vs tors. theta energy: 3.559 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: 143 Temperature: 1.350000 Total energy: -307.151826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.151826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.151826 (E_RNA) where: Base-Base interactions energy: -108.622 where: short stacking energy: -78.649 Base-Backbone interact. energy: -0.858 local terms energy: -197.671068 where: bonds (distance) C4'-P energy: -55.394 bonds (distance) P-C4' energy: -78.864 flat angles C4'-P-C4' energy: -56.650 flat angles P-C4'-P energy: -31.225 tors. eta vs tors. theta energy: 24.462 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: 6 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1322.894574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.894574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.894574 (E_RNA) where: Base-Base interactions energy: -925.162 where: short stacking energy: -386.338 Base-Backbone interact. energy: 1.428 local terms energy: -399.160505 where: bonds (distance) C4'-P energy: -75.596 bonds (distance) P-C4' energy: -69.609 flat angles C4'-P-C4' energy: -95.566 flat angles P-C4'-P energy: -46.494 tors. eta vs tors. theta energy: -111.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1210.532556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.532556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.532556 (E_RNA) where: Base-Base interactions energy: -808.678 where: short stacking energy: -337.779 Base-Backbone interact. energy: -4.587 local terms energy: -397.267786 where: bonds (distance) C4'-P energy: -73.578 bonds (distance) P-C4' energy: -87.500 flat angles C4'-P-C4' energy: -84.080 flat angles P-C4'-P energy: -54.944 tors. eta vs tors. theta energy: -97.166 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: 144 Temperature: 1.000000 Total energy: -1180.454127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.454127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.454127 (E_RNA) where: Base-Base interactions energy: -782.062 where: short stacking energy: -347.040 Base-Backbone interact. energy: -1.123 local terms energy: -397.269170 where: bonds (distance) C4'-P energy: -72.843 bonds (distance) P-C4' energy: -77.675 flat angles C4'-P-C4' energy: -87.481 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -99.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1103.968107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.968107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.968107 (E_RNA) where: Base-Base interactions energy: -744.004 where: short stacking energy: -292.220 Base-Backbone interact. energy: -1.689 local terms energy: -358.274636 where: bonds (distance) C4'-P energy: -73.437 bonds (distance) P-C4' energy: -70.016 flat angles C4'-P-C4' energy: -77.280 flat angles P-C4'-P energy: -48.388 tors. eta vs tors. theta energy: -89.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -995.217759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.217759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.217759 (E_RNA) where: Base-Base interactions energy: -639.089 where: short stacking energy: -265.485 Base-Backbone interact. energy: -0.210 local terms energy: -355.918519 where: bonds (distance) C4'-P energy: -79.677 bonds (distance) P-C4' energy: -67.145 flat angles C4'-P-C4' energy: -83.864 flat angles P-C4'-P energy: -54.700 tors. eta vs tors. theta energy: -70.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -806.956333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.956333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.956333 (E_RNA) where: Base-Base interactions energy: -498.866 where: short stacking energy: -231.187 Base-Backbone interact. energy: -0.546 local terms energy: -307.544205 where: bonds (distance) C4'-P energy: -76.430 bonds (distance) P-C4' energy: -84.200 flat angles C4'-P-C4' energy: -52.587 flat angles P-C4'-P energy: -42.579 tors. eta vs tors. theta energy: -51.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -674.020692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.020692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.020692 (E_RNA) where: Base-Base interactions energy: -387.713 where: short stacking energy: -181.690 Base-Backbone interact. energy: 0.430 local terms energy: -286.737542 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -71.998 flat angles C4'-P-C4' energy: -64.716 flat angles P-C4'-P energy: -50.193 tors. eta vs tors. theta energy: -39.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -461.211712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.211712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.211712 (E_RNA) where: Base-Base interactions energy: -212.712 where: short stacking energy: -137.900 Base-Backbone interact. energy: -1.766 local terms energy: -246.733592 where: bonds (distance) C4'-P energy: -62.429 bonds (distance) P-C4' energy: -79.267 flat angles C4'-P-C4' energy: -60.785 flat angles P-C4'-P energy: -31.849 tors. eta vs tors. theta energy: -12.403 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: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -338.412422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.412422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.412422 (E_RNA) where: Base-Base interactions energy: -116.790 where: short stacking energy: -106.226 Base-Backbone interact. energy: -0.598 local terms energy: -221.024415 where: bonds (distance) C4'-P energy: -69.936 bonds (distance) P-C4' energy: -71.936 flat angles C4'-P-C4' energy: -55.334 flat angles P-C4'-P energy: -27.889 tors. eta vs tors. theta energy: 4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -303.715435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.715435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.715435 (E_RNA) where: Base-Base interactions energy: -110.009 where: short stacking energy: -92.450 Base-Backbone interact. energy: 0.678 local terms energy: -194.383911 where: bonds (distance) C4'-P energy: -59.119 bonds (distance) P-C4' energy: -77.009 flat angles C4'-P-C4' energy: -43.416 flat angles P-C4'-P energy: -23.921 tors. eta vs tors. theta energy: 9.082 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: 1, replica: 6 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1335.578491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.578491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.578491 (E_RNA) where: Base-Base interactions energy: -930.861 where: short stacking energy: -386.974 Base-Backbone interact. energy: -0.120 local terms energy: -404.597731 where: bonds (distance) C4'-P energy: -78.897 bonds (distance) P-C4' energy: -70.981 flat angles C4'-P-C4' energy: -89.887 flat angles P-C4'-P energy: -55.051 tors. eta vs tors. theta energy: -109.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1236.042510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.042510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.042510 (E_RNA) where: Base-Base interactions energy: -819.889 where: short stacking energy: -372.038 Base-Backbone interact. energy: -2.044 local terms energy: -414.109153 where: bonds (distance) C4'-P energy: -81.460 bonds (distance) P-C4' energy: -90.807 flat angles C4'-P-C4' energy: -76.377 flat angles P-C4'-P energy: -62.510 tors. eta vs tors. theta energy: -102.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1160.916480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.916480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.916480 (E_RNA) where: Base-Base interactions energy: -775.933 where: short stacking energy: -341.276 Base-Backbone interact. energy: 0.574 local terms energy: -385.557496 where: bonds (distance) C4'-P energy: -69.337 bonds (distance) P-C4' energy: -74.858 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -55.570 tors. eta vs tors. theta energy: -94.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1102.001153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.001153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.001153 (E_RNA) where: Base-Base interactions energy: -697.965 where: short stacking energy: -291.544 Base-Backbone interact. energy: -2.687 local terms energy: -401.349372 where: bonds (distance) C4'-P energy: -82.969 bonds (distance) P-C4' energy: -88.236 flat angles C4'-P-C4' energy: -86.497 flat angles P-C4'-P energy: -51.284 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: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -979.101674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.101674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.101674 (E_RNA) where: Base-Base interactions energy: -659.429 where: short stacking energy: -288.762 Base-Backbone interact. energy: -0.825 local terms energy: -318.846910 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -60.936 flat angles C4'-P-C4' energy: -68.294 flat angles P-C4'-P energy: -53.236 tors. eta vs tors. theta energy: -78.489 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: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -804.585598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.585598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.585598 (E_RNA) where: Base-Base interactions energy: -476.409 where: short stacking energy: -217.379 Base-Backbone interact. energy: -2.033 local terms energy: -326.143813 where: bonds (distance) C4'-P energy: -73.697 bonds (distance) P-C4' energy: -85.408 flat angles C4'-P-C4' energy: -72.510 flat angles P-C4'-P energy: -42.005 tors. eta vs tors. theta energy: -52.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -623.263526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.263526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.263526 (E_RNA) where: Base-Base interactions energy: -341.046 where: short stacking energy: -155.297 Base-Backbone interact. energy: -0.415 local terms energy: -281.802498 where: bonds (distance) C4'-P energy: -75.045 bonds (distance) P-C4' energy: -73.302 flat angles C4'-P-C4' energy: -61.264 flat angles P-C4'-P energy: -45.567 tors. eta vs tors. theta energy: -26.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -435.440527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.440527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.440527 (E_RNA) where: Base-Base interactions energy: -190.233 where: short stacking energy: -111.464 Base-Backbone interact. energy: 2.563 local terms energy: -247.770288 where: bonds (distance) C4'-P energy: -63.224 bonds (distance) P-C4' energy: -71.926 flat angles C4'-P-C4' energy: -63.699 flat angles P-C4'-P energy: -44.757 tors. eta vs tors. theta energy: -4.164 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: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -313.522881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.522881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.522881 (E_RNA) where: Base-Base interactions energy: -106.563 where: short stacking energy: -68.597 Base-Backbone interact. energy: 2.585 local terms energy: -209.544577 where: bonds (distance) C4'-P energy: -58.677 bonds (distance) P-C4' energy: -81.063 flat angles C4'-P-C4' energy: -49.214 flat angles P-C4'-P energy: -32.366 tors. eta vs tors. theta energy: 11.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -298.388383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.388383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.388383 (E_RNA) where: Base-Base interactions energy: -113.029 where: short stacking energy: -81.185 Base-Backbone interact. energy: -0.825 local terms energy: -184.534371 where: bonds (distance) C4'-P energy: -62.337 bonds (distance) P-C4' energy: -74.011 flat angles C4'-P-C4' energy: -32.818 flat angles P-C4'-P energy: -35.072 tors. eta vs tors. theta energy: 19.703 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: 6 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1338.381565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.381565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.381565 (E_RNA) where: Base-Base interactions energy: -916.426 where: short stacking energy: -380.183 Base-Backbone interact. energy: 2.375 local terms energy: -424.329843 where: bonds (distance) C4'-P energy: -82.209 bonds (distance) P-C4' energy: -82.573 flat angles C4'-P-C4' energy: -94.739 flat angles P-C4'-P energy: -54.308 tors. eta vs tors. theta energy: -110.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1229.352836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.352836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.352836 (E_RNA) where: Base-Base interactions energy: -834.940 where: short stacking energy: -386.305 Base-Backbone interact. energy: -2.868 local terms energy: -391.545300 where: bonds (distance) C4'-P energy: -70.438 bonds (distance) P-C4' energy: -69.561 flat angles C4'-P-C4' energy: -83.524 flat angles P-C4'-P energy: -56.633 tors. eta vs tors. theta energy: -111.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1128.124929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.124929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.124929 (E_RNA) where: Base-Base interactions energy: -750.489 where: short stacking energy: -337.856 Base-Backbone interact. energy: 1.774 local terms energy: -379.409882 where: bonds (distance) C4'-P energy: -68.636 bonds (distance) P-C4' energy: -75.677 flat angles C4'-P-C4' energy: -73.800 flat angles P-C4'-P energy: -59.510 tors. eta vs tors. theta energy: -101.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1094.641266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.641266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.641266 (E_RNA) where: Base-Base interactions energy: -734.785 where: short stacking energy: -334.379 Base-Backbone interact. energy: -2.410 local terms energy: -357.445997 where: bonds (distance) C4'-P energy: -59.768 bonds (distance) P-C4' energy: -71.509 flat angles C4'-P-C4' energy: -82.315 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -96.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -962.917600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.917600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.917600 (E_RNA) where: Base-Base interactions energy: -628.087 where: short stacking energy: -283.100 Base-Backbone interact. energy: -2.339 local terms energy: -332.491317 where: bonds (distance) C4'-P energy: -73.081 bonds (distance) P-C4' energy: -76.958 flat angles C4'-P-C4' energy: -66.459 flat angles P-C4'-P energy: -42.066 tors. eta vs tors. theta energy: -73.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -780.614622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.614622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.614622 (E_RNA) where: Base-Base interactions energy: -489.535 where: short stacking energy: -232.410 Base-Backbone interact. energy: -1.238 local terms energy: -289.841856 where: bonds (distance) C4'-P energy: -62.099 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -72.144 flat angles P-C4'-P energy: -44.570 tors. eta vs tors. theta energy: -43.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -539.709260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.709260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.709260 (E_RNA) where: Base-Base interactions energy: -304.903 where: short stacking energy: -163.284 Base-Backbone interact. energy: -2.024 local terms energy: -232.782732 where: bonds (distance) C4'-P energy: -59.034 bonds (distance) P-C4' energy: -58.040 flat angles C4'-P-C4' energy: -64.879 flat angles P-C4'-P energy: -42.379 tors. eta vs tors. theta energy: -8.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -480.978868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.978868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.978868 (E_RNA) where: Base-Base interactions energy: -255.150 where: short stacking energy: -157.598 Base-Backbone interact. energy: -1.537 local terms energy: -224.292141 where: bonds (distance) C4'-P energy: -51.934 bonds (distance) P-C4' energy: -57.660 flat angles C4'-P-C4' energy: -65.589 flat angles P-C4'-P energy: -39.381 tors. eta vs tors. theta energy: -9.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -346.441533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.441533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.441533 (E_RNA) where: Base-Base interactions energy: -102.220 where: short stacking energy: -82.134 Base-Backbone interact. energy: 0.429 local terms energy: -244.650705 where: bonds (distance) C4'-P energy: -68.887 bonds (distance) P-C4' energy: -65.765 flat angles C4'-P-C4' energy: -63.461 flat angles P-C4'-P energy: -49.750 tors. eta vs tors. theta energy: 3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -300.489157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.489157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.489157 (E_RNA) where: Base-Base interactions energy: -107.320 where: short stacking energy: -92.283 Base-Backbone interact. energy: -0.459 local terms energy: -192.710872 where: bonds (distance) C4'-P energy: -47.356 bonds (distance) P-C4' energy: -71.135 flat angles C4'-P-C4' energy: -61.024 flat angles P-C4'-P energy: -35.170 tors. eta vs tors. theta energy: 21.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1325.289596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.289596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.289596 (E_RNA) where: Base-Base interactions energy: -903.043 where: short stacking energy: -368.844 Base-Backbone interact. energy: 0.299 local terms energy: -422.545032 where: bonds (distance) C4'-P energy: -72.397 bonds (distance) P-C4' energy: -83.579 flat angles C4'-P-C4' energy: -89.370 flat angles P-C4'-P energy: -63.731 tors. eta vs tors. theta energy: -113.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1223.836045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.836045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.836045 (E_RNA) where: Base-Base interactions energy: -806.369 where: short stacking energy: -355.558 Base-Backbone interact. energy: -1.065 local terms energy: -416.401802 where: bonds (distance) C4'-P energy: -76.900 bonds (distance) P-C4' energy: -81.005 flat angles C4'-P-C4' energy: -94.159 flat angles P-C4'-P energy: -62.296 tors. eta vs tors. theta energy: -102.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1152.711813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.711813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.711813 (E_RNA) where: Base-Base interactions energy: -765.148 where: short stacking energy: -338.902 Base-Backbone interact. energy: 1.197 local terms energy: -388.759849 where: bonds (distance) C4'-P energy: -75.788 bonds (distance) P-C4' energy: -71.754 flat angles C4'-P-C4' energy: -86.404 flat angles P-C4'-P energy: -56.278 tors. eta vs tors. theta energy: -98.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1116.853644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.853644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.853644 (E_RNA) where: Base-Base interactions energy: -736.649 where: short stacking energy: -319.319 Base-Backbone interact. energy: -0.393 local terms energy: -379.812426 where: bonds (distance) C4'-P energy: -69.133 bonds (distance) P-C4' energy: -84.359 flat angles C4'-P-C4' energy: -67.028 flat angles P-C4'-P energy: -57.311 tors. eta vs tors. theta energy: -101.981 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: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -954.055041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.055041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.055041 (E_RNA) where: Base-Base interactions energy: -613.950 where: short stacking energy: -259.099 Base-Backbone interact. energy: 1.229 local terms energy: -341.333686 where: bonds (distance) C4'-P energy: -70.310 bonds (distance) P-C4' energy: -77.861 flat angles C4'-P-C4' energy: -75.392 flat angles P-C4'-P energy: -39.110 tors. eta vs tors. theta energy: -78.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -765.537614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.537614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.537614 (E_RNA) where: Base-Base interactions energy: -452.709 where: short stacking energy: -213.441 Base-Backbone interact. energy: 1.039 local terms energy: -313.867571 where: bonds (distance) C4'-P energy: -74.090 bonds (distance) P-C4' energy: -75.333 flat angles C4'-P-C4' energy: -67.129 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: -47.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -637.167532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.167532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.167532 (E_RNA) where: Base-Base interactions energy: -346.970 where: short stacking energy: -211.280 Base-Backbone interact. energy: -4.195 local terms energy: -286.002316 where: bonds (distance) C4'-P energy: -69.115 bonds (distance) P-C4' energy: -75.535 flat angles C4'-P-C4' energy: -77.352 flat angles P-C4'-P energy: -36.503 tors. eta vs tors. theta energy: -27.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -349.105636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.105636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.105636 (E_RNA) where: Base-Base interactions energy: -118.218 where: short stacking energy: -101.137 Base-Backbone interact. energy: 2.646 local terms energy: -233.534211 where: bonds (distance) C4'-P energy: -64.464 bonds (distance) P-C4' energy: -70.841 flat angles C4'-P-C4' energy: -61.813 flat angles P-C4'-P energy: -39.146 tors. eta vs tors. theta energy: 2.730 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: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -431.509762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.509762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.509762 (E_RNA) where: Base-Base interactions energy: -215.919 where: short stacking energy: -116.527 Base-Backbone interact. energy: 0.577 local terms energy: -216.167740 where: bonds (distance) C4'-P energy: -58.936 bonds (distance) P-C4' energy: -57.455 flat angles C4'-P-C4' energy: -53.630 flat angles P-C4'-P energy: -43.650 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -332.395231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.395231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.395231 (E_RNA) where: Base-Base interactions energy: -118.821 where: short stacking energy: -99.260 Base-Backbone interact. energy: 4.722 local terms energy: -218.295888 where: bonds (distance) C4'-P energy: -73.031 bonds (distance) P-C4' energy: -66.226 flat angles C4'-P-C4' energy: -54.022 flat angles P-C4'-P energy: -29.681 tors. eta vs tors. theta energy: 4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1314.674711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.674711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.674711 (E_RNA) where: Base-Base interactions energy: -892.721 where: short stacking energy: -366.578 Base-Backbone interact. energy: -0.896 local terms energy: -421.058061 where: bonds (distance) C4'-P energy: -81.376 bonds (distance) P-C4' energy: -96.635 flat angles C4'-P-C4' energy: -76.917 flat angles P-C4'-P energy: -61.312 tors. eta vs tors. theta energy: -104.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1234.505661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.505661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.505661 (E_RNA) where: Base-Base interactions energy: -796.283 where: short stacking energy: -363.628 Base-Backbone interact. energy: -4.003 local terms energy: -434.219625 where: bonds (distance) C4'-P energy: -75.375 bonds (distance) P-C4' energy: -93.426 flat angles C4'-P-C4' energy: -93.328 flat angles P-C4'-P energy: -66.096 tors. eta vs tors. theta energy: -105.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1165.230844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.230844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.230844 (E_RNA) where: Base-Base interactions energy: -764.721 where: short stacking energy: -321.264 Base-Backbone interact. energy: 0.843 local terms energy: -401.352943 where: bonds (distance) C4'-P energy: -68.999 bonds (distance) P-C4' energy: -80.596 flat angles C4'-P-C4' energy: -86.988 flat angles P-C4'-P energy: -63.529 tors. eta vs tors. theta energy: -101.241 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: 10 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1118.105761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.105761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.105761 (E_RNA) where: Base-Base interactions energy: -729.322 where: short stacking energy: -322.353 Base-Backbone interact. energy: 0.047 local terms energy: -388.831522 where: bonds (distance) C4'-P energy: -61.332 bonds (distance) P-C4' energy: -75.329 flat angles C4'-P-C4' energy: -86.519 flat angles P-C4'-P energy: -63.877 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: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1002.627240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.627240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.627240 (E_RNA) where: Base-Base interactions energy: -642.324 where: short stacking energy: -285.134 Base-Backbone interact. energy: 2.543 local terms energy: -362.846586 where: bonds (distance) C4'-P energy: -78.733 bonds (distance) P-C4' energy: -67.971 flat angles C4'-P-C4' energy: -83.475 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -82.542 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: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -786.526380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.526380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.526380 (E_RNA) where: Base-Base interactions energy: -473.505 where: short stacking energy: -233.538 Base-Backbone interact. energy: -1.476 local terms energy: -311.545036 where: bonds (distance) C4'-P energy: -71.751 bonds (distance) P-C4' energy: -70.454 flat angles C4'-P-C4' energy: -76.426 flat angles P-C4'-P energy: -37.603 tors. eta vs tors. theta energy: -55.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -638.306515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.306515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.306515 (E_RNA) where: Base-Base interactions energy: -370.833 where: short stacking energy: -185.903 Base-Backbone interact. energy: 1.213 local terms energy: -268.685704 where: bonds (distance) C4'-P energy: -67.408 bonds (distance) P-C4' energy: -69.194 flat angles C4'-P-C4' energy: -63.255 flat angles P-C4'-P energy: -38.499 tors. eta vs tors. theta energy: -30.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -402.944549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.944549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.944549 (E_RNA) where: Base-Base interactions energy: -176.794 where: short stacking energy: -114.562 Base-Backbone interact. energy: -0.322 local terms energy: -225.828975 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -83.482 flat angles C4'-P-C4' energy: -65.500 flat angles P-C4'-P energy: -25.982 tors. eta vs tors. theta energy: 5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -452.508124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.508124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.508124 (E_RNA) where: Base-Base interactions energy: -215.624 where: short stacking energy: -127.261 Base-Backbone interact. energy: -0.648 local terms energy: -236.235961 where: bonds (distance) C4'-P energy: -57.016 bonds (distance) P-C4' energy: -79.004 flat angles C4'-P-C4' energy: -51.248 flat angles P-C4'-P energy: -41.177 tors. eta vs tors. theta energy: -7.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -295.472801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.472801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.472801 (E_RNA) where: Base-Base interactions energy: -110.843 where: short stacking energy: -67.812 Base-Backbone interact. energy: 2.451 local terms energy: -187.081568 where: bonds (distance) C4'-P energy: -62.006 bonds (distance) P-C4' energy: -67.470 flat angles C4'-P-C4' energy: -50.260 flat angles P-C4'-P energy: -20.450 tors. eta vs tors. theta energy: 13.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1301.990397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.990397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.990397 (E_RNA) where: Base-Base interactions energy: -898.295 where: short stacking energy: -383.062 Base-Backbone interact. energy: -1.259 local terms energy: -402.435868 where: bonds (distance) C4'-P energy: -73.951 bonds (distance) P-C4' energy: -77.568 flat angles C4'-P-C4' energy: -88.061 flat angles P-C4'-P energy: -59.863 tors. eta vs tors. theta energy: -102.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1212.805431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.805431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.805431 (E_RNA) where: Base-Base interactions energy: -813.000 where: short stacking energy: -371.390 Base-Backbone interact. energy: -2.382 local terms energy: -397.422936 where: bonds (distance) C4'-P energy: -78.343 bonds (distance) P-C4' energy: -65.086 flat angles C4'-P-C4' energy: -86.492 flat angles P-C4'-P energy: -61.892 tors. eta vs tors. theta energy: -105.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1201.753342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.753342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.753342 (E_RNA) where: Base-Base interactions energy: -817.306 where: short stacking energy: -358.084 Base-Backbone interact. energy: -1.382 local terms energy: -383.065414 where: bonds (distance) C4'-P energy: -61.462 bonds (distance) P-C4' energy: -76.356 flat angles C4'-P-C4' energy: -87.772 flat angles P-C4'-P energy: -53.216 tors. eta vs tors. theta energy: -104.260 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: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1075.380268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.380268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.380268 (E_RNA) where: Base-Base interactions energy: -720.339 where: short stacking energy: -290.798 Base-Backbone interact. energy: 2.428 local terms energy: -357.468834 where: bonds (distance) C4'-P energy: -74.489 bonds (distance) P-C4' energy: -78.557 flat angles C4'-P-C4' energy: -78.794 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -78.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -985.587244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.587244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.587244 (E_RNA) where: Base-Base interactions energy: -618.861 where: short stacking energy: -263.425 Base-Backbone interact. energy: -4.307 local terms energy: -362.418747 where: bonds (distance) C4'-P energy: -82.833 bonds (distance) P-C4' energy: -85.221 flat angles C4'-P-C4' energy: -72.657 flat angles P-C4'-P energy: -45.780 tors. eta vs tors. theta energy: -75.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -803.368269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.368269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.368269 (E_RNA) where: Base-Base interactions energy: -491.213 where: short stacking energy: -236.847 Base-Backbone interact. energy: -2.098 local terms energy: -310.057288 where: bonds (distance) C4'-P energy: -67.488 bonds (distance) P-C4' energy: -73.836 flat angles C4'-P-C4' energy: -75.414 flat angles P-C4'-P energy: -25.686 tors. eta vs tors. theta energy: -67.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -629.435828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.435828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.435828 (E_RNA) where: Base-Base interactions energy: -355.480 where: short stacking energy: -191.417 Base-Backbone interact. energy: 0.932 local terms energy: -274.887488 where: bonds (distance) C4'-P energy: -63.898 bonds (distance) P-C4' energy: -74.474 flat angles C4'-P-C4' energy: -76.092 flat angles P-C4'-P energy: -33.569 tors. eta vs tors. theta energy: -26.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -436.363377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.363377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.363377 (E_RNA) where: Base-Base interactions energy: -208.879 where: short stacking energy: -136.679 Base-Backbone interact. energy: -0.483 local terms energy: -227.001594 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -82.193 flat angles C4'-P-C4' energy: -58.827 flat angles P-C4'-P energy: -37.463 tors. eta vs tors. theta energy: 0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -384.722425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.722425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.722425 (E_RNA) where: Base-Base interactions energy: -161.257 where: short stacking energy: -104.479 Base-Backbone interact. energy: -0.643 local terms energy: -222.822172 where: bonds (distance) C4'-P energy: -55.737 bonds (distance) P-C4' energy: -76.183 flat angles C4'-P-C4' energy: -64.012 flat angles P-C4'-P energy: -32.201 tors. eta vs tors. theta energy: 5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -304.553980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.553980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.553980 (E_RNA) where: Base-Base interactions energy: -103.353 where: short stacking energy: -83.659 Base-Backbone interact. energy: -1.376 local terms energy: -199.824614 where: bonds (distance) C4'-P energy: -53.272 bonds (distance) P-C4' energy: -66.662 flat angles C4'-P-C4' energy: -74.962 flat angles P-C4'-P energy: -12.291 tors. eta vs tors. theta energy: 7.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1319.980971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.980971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.980971 (E_RNA) where: Base-Base interactions energy: -913.220 where: short stacking energy: -378.352 Base-Backbone interact. energy: -1.164 local terms energy: -405.596800 where: bonds (distance) C4'-P energy: -82.409 bonds (distance) P-C4' energy: -72.888 flat angles C4'-P-C4' energy: -80.510 flat angles P-C4'-P energy: -57.314 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: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1225.769037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.769037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.769037 (E_RNA) where: Base-Base interactions energy: -806.917 where: short stacking energy: -345.176 Base-Backbone interact. energy: -2.402 local terms energy: -416.450156 where: bonds (distance) C4'-P energy: -81.513 bonds (distance) P-C4' energy: -80.588 flat angles C4'-P-C4' energy: -88.246 flat angles P-C4'-P energy: -58.048 tors. eta vs tors. theta energy: -108.055 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: 150 Temperature: 1.000000 Total energy: -1197.268510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.268510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.268510 (E_RNA) where: Base-Base interactions energy: -828.314 where: short stacking energy: -348.930 Base-Backbone interact. energy: -2.037 local terms energy: -366.917838 where: bonds (distance) C4'-P energy: -70.904 bonds (distance) P-C4' energy: -71.191 flat angles C4'-P-C4' energy: -87.117 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -95.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1088.115113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.115113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.115113 (E_RNA) where: Base-Base interactions energy: -731.236 where: short stacking energy: -310.741 Base-Backbone interact. energy: -1.046 local terms energy: -355.833583 where: bonds (distance) C4'-P energy: -73.784 bonds (distance) P-C4' energy: -70.196 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -45.729 tors. eta vs tors. theta energy: -85.777 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: 5, replica: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -959.624734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.624734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.624734 (E_RNA) where: Base-Base interactions energy: -640.840 where: short stacking energy: -274.032 Base-Backbone interact. energy: -1.217 local terms energy: -317.567972 where: bonds (distance) C4'-P energy: -67.923 bonds (distance) P-C4' energy: -54.597 flat angles C4'-P-C4' energy: -70.518 flat angles P-C4'-P energy: -56.867 tors. eta vs tors. theta energy: -67.663 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: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -809.451904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.451904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.451904 (E_RNA) where: Base-Base interactions energy: -497.769 where: short stacking energy: -240.707 Base-Backbone interact. energy: 2.333 local terms energy: -314.016180 where: bonds (distance) C4'-P energy: -71.915 bonds (distance) P-C4' energy: -69.439 flat angles C4'-P-C4' energy: -75.627 flat angles P-C4'-P energy: -41.598 tors. eta vs tors. theta energy: -55.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -619.483972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.483972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.483972 (E_RNA) where: Base-Base interactions energy: -351.073 where: short stacking energy: -186.957 Base-Backbone interact. energy: -1.668 local terms energy: -266.743006 where: bonds (distance) C4'-P energy: -59.517 bonds (distance) P-C4' energy: -76.875 flat angles C4'-P-C4' energy: -68.260 flat angles P-C4'-P energy: -43.969 tors. eta vs tors. theta energy: -18.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -433.209088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.209088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.209088 (E_RNA) where: Base-Base interactions energy: -180.387 where: short stacking energy: -113.010 Base-Backbone interact. energy: 2.212 local terms energy: -255.034163 where: bonds (distance) C4'-P energy: -67.980 bonds (distance) P-C4' energy: -73.987 flat angles C4'-P-C4' energy: -61.969 flat angles P-C4'-P energy: -41.983 tors. eta vs tors. theta energy: -9.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -357.481073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.481073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.481073 (E_RNA) where: Base-Base interactions energy: -142.325 where: short stacking energy: -113.278 Base-Backbone interact. energy: 2.080 local terms energy: -217.235736 where: bonds (distance) C4'-P energy: -66.357 bonds (distance) P-C4' energy: -56.749 flat angles C4'-P-C4' energy: -64.120 flat angles P-C4'-P energy: -30.730 tors. eta vs tors. theta energy: 0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -327.533719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.533719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.533719 (E_RNA) where: Base-Base interactions energy: -94.882 where: short stacking energy: -92.658 Base-Backbone interact. energy: 0.124 local terms energy: -232.776360 where: bonds (distance) C4'-P energy: -81.367 bonds (distance) P-C4' energy: -68.719 flat angles C4'-P-C4' energy: -66.041 flat angles P-C4'-P energy: -29.187 tors. eta vs tors. theta energy: 12.536 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: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1320.351256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.351256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.351256 (E_RNA) where: Base-Base interactions energy: -904.488 where: short stacking energy: -363.605 Base-Backbone interact. energy: 1.569 local terms energy: -417.432604 where: bonds (distance) C4'-P energy: -82.950 bonds (distance) P-C4' energy: -79.203 flat angles C4'-P-C4' energy: -82.534 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -110.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1211.427636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.427636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.427636 (E_RNA) where: Base-Base interactions energy: -811.820 where: short stacking energy: -361.449 Base-Backbone interact. energy: -0.646 local terms energy: -398.961028 where: bonds (distance) C4'-P energy: -66.008 bonds (distance) P-C4' energy: -81.871 flat angles C4'-P-C4' energy: -79.210 flat angles P-C4'-P energy: -61.282 tors. eta vs tors. theta energy: -110.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1158.960993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.960993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.960993 (E_RNA) where: Base-Base interactions energy: -785.672 where: short stacking energy: -348.402 Base-Backbone interact. energy: -1.011 local terms energy: -372.278125 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -66.795 flat angles C4'-P-C4' energy: -86.684 flat angles P-C4'-P energy: -53.930 tors. eta vs tors. theta energy: -103.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1076.134918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.134918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.134918 (E_RNA) where: Base-Base interactions energy: -703.907 where: short stacking energy: -310.333 Base-Backbone interact. energy: 0.551 local terms energy: -372.778193 where: bonds (distance) C4'-P energy: -73.752 bonds (distance) P-C4' energy: -78.330 flat angles C4'-P-C4' energy: -82.956 flat angles P-C4'-P energy: -44.771 tors. eta vs tors. theta energy: -92.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -967.453315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.453315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.453315 (E_RNA) where: Base-Base interactions energy: -623.163 where: short stacking energy: -272.601 Base-Backbone interact. energy: 1.590 local terms energy: -345.880771 where: bonds (distance) C4'-P energy: -73.117 bonds (distance) P-C4' energy: -70.057 flat angles C4'-P-C4' energy: -80.199 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -64.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -754.783032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.783032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.783032 (E_RNA) where: Base-Base interactions energy: -486.070 where: short stacking energy: -193.713 Base-Backbone interact. energy: -2.075 local terms energy: -266.637866 where: bonds (distance) C4'-P energy: -59.930 bonds (distance) P-C4' energy: -69.846 flat angles C4'-P-C4' energy: -64.766 flat angles P-C4'-P energy: -38.851 tors. eta vs tors. theta energy: -33.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -605.249289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.249289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.249289 (E_RNA) where: Base-Base interactions energy: -341.791 where: short stacking energy: -163.986 Base-Backbone interact. energy: -1.508 local terms energy: -261.950561 where: bonds (distance) C4'-P energy: -56.159 bonds (distance) P-C4' energy: -64.837 flat angles C4'-P-C4' energy: -71.459 flat angles P-C4'-P energy: -54.232 tors. eta vs tors. theta energy: -15.263 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: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -428.293226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.293226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.293226 (E_RNA) where: Base-Base interactions energy: -196.226 where: short stacking energy: -123.089 Base-Backbone interact. energy: 5.088 local terms energy: -237.155191 where: bonds (distance) C4'-P energy: -69.615 bonds (distance) P-C4' energy: -63.346 flat angles C4'-P-C4' energy: -70.964 flat angles P-C4'-P energy: -33.288 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -394.850975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.850975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.850975 (E_RNA) where: Base-Base interactions energy: -137.968 where: short stacking energy: -108.126 Base-Backbone interact. energy: 0.669 local terms energy: -257.552212 where: bonds (distance) C4'-P energy: -65.263 bonds (distance) P-C4' energy: -73.504 flat angles C4'-P-C4' energy: -53.869 flat angles P-C4'-P energy: -51.634 tors. eta vs tors. theta energy: -13.282 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: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -314.487589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.487589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.487589 (E_RNA) where: Base-Base interactions energy: -120.708 where: short stacking energy: -94.526 Base-Backbone interact. energy: -0.568 local terms energy: -193.211578 where: bonds (distance) C4'-P energy: -55.073 bonds (distance) P-C4' energy: -66.160 flat angles C4'-P-C4' energy: -46.916 flat angles P-C4'-P energy: -43.556 tors. eta vs tors. theta energy: 18.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1319.295916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.295916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.295916 (E_RNA) where: Base-Base interactions energy: -890.043 where: short stacking energy: -382.310 Base-Backbone interact. energy: 1.801 local terms energy: -431.054020 where: bonds (distance) C4'-P energy: -83.669 bonds (distance) P-C4' energy: -83.909 flat angles C4'-P-C4' energy: -86.833 flat angles P-C4'-P energy: -62.999 tors. eta vs tors. theta energy: -113.645 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: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1207.187999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.187999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.187999 (E_RNA) where: Base-Base interactions energy: -801.450 where: short stacking energy: -364.716 Base-Backbone interact. energy: -1.905 local terms energy: -403.832600 where: bonds (distance) C4'-P energy: -76.857 bonds (distance) P-C4' energy: -77.117 flat angles C4'-P-C4' energy: -95.410 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: -110.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1178.346436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.346436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.346436 (E_RNA) where: Base-Base interactions energy: -808.924 where: short stacking energy: -335.383 Base-Backbone interact. energy: -1.725 local terms energy: -367.697123 where: bonds (distance) C4'-P energy: -62.107 bonds (distance) P-C4' energy: -81.563 flat angles C4'-P-C4' energy: -82.467 flat angles P-C4'-P energy: -44.678 tors. eta vs tors. theta energy: -96.881 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: 4, replica: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1092.556756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.556756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.556756 (E_RNA) where: Base-Base interactions energy: -716.707 where: short stacking energy: -324.156 Base-Backbone interact. energy: 1.761 local terms energy: -377.611537 where: bonds (distance) C4'-P energy: -68.450 bonds (distance) P-C4' energy: -73.979 flat angles C4'-P-C4' energy: -72.335 flat angles P-C4'-P energy: -57.863 tors. eta vs tors. theta energy: -104.983 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: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -970.286427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.286427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.286427 (E_RNA) where: Base-Base interactions energy: -660.294 where: short stacking energy: -274.745 Base-Backbone interact. energy: -1.474 local terms energy: -308.518936 where: bonds (distance) C4'-P energy: -78.825 bonds (distance) P-C4' energy: -60.965 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -29.651 tors. eta vs tors. theta energy: -70.033 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: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -785.119231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.119231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.119231 (E_RNA) where: Base-Base interactions energy: -504.045 where: short stacking energy: -215.669 Base-Backbone interact. energy: 1.115 local terms energy: -282.189828 where: bonds (distance) C4'-P energy: -73.334 bonds (distance) P-C4' energy: -70.235 flat angles C4'-P-C4' energy: -70.816 flat angles P-C4'-P energy: -22.718 tors. eta vs tors. theta energy: -45.088 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: 152 Temperature: 1.200000 Total energy: -700.105448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.105448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.105448 (E_RNA) where: Base-Base interactions energy: -421.476 where: short stacking energy: -199.418 Base-Backbone interact. energy: 0.861 local terms energy: -279.490716 where: bonds (distance) C4'-P energy: -63.488 bonds (distance) P-C4' energy: -74.974 flat angles C4'-P-C4' energy: -70.343 flat angles P-C4'-P energy: -39.432 tors. eta vs tors. theta energy: -31.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -443.361468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.361468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.361468 (E_RNA) where: Base-Base interactions energy: -189.416 where: short stacking energy: -115.794 Base-Backbone interact. energy: -1.080 local terms energy: -252.864673 where: bonds (distance) C4'-P energy: -79.339 bonds (distance) P-C4' energy: -64.630 flat angles C4'-P-C4' energy: -57.352 flat angles P-C4'-P energy: -47.991 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -330.876061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.876061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.876061 (E_RNA) where: Base-Base interactions energy: -104.446 where: short stacking energy: -78.395 Base-Backbone interact. energy: 0.147 local terms energy: -226.576393 where: bonds (distance) C4'-P energy: -68.352 bonds (distance) P-C4' energy: -70.488 flat angles C4'-P-C4' energy: -50.242 flat angles P-C4'-P energy: -42.684 tors. eta vs tors. theta energy: 5.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -301.833069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.833069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.833069 (E_RNA) where: Base-Base interactions energy: -111.253 where: short stacking energy: -79.230 Base-Backbone interact. energy: -1.323 local terms energy: -189.256375 where: bonds (distance) C4'-P energy: -70.198 bonds (distance) P-C4' energy: -69.549 flat angles C4'-P-C4' energy: -55.930 flat angles P-C4'-P energy: -19.303 tors. eta vs tors. theta energy: 25.724 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: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1328.855141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.855141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.855141 (E_RNA) where: Base-Base interactions energy: -915.238 where: short stacking energy: -385.425 Base-Backbone interact. energy: -2.057 local terms energy: -411.559599 where: bonds (distance) C4'-P energy: -78.215 bonds (distance) P-C4' energy: -76.826 flat angles C4'-P-C4' energy: -87.594 flat angles P-C4'-P energy: -52.870 tors. eta vs tors. theta energy: -116.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1257.237028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.237028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.237028 (E_RNA) where: Base-Base interactions energy: -871.699 where: short stacking energy: -353.193 Base-Backbone interact. energy: 0.188 local terms energy: -385.725551 where: bonds (distance) C4'-P energy: -61.700 bonds (distance) P-C4' energy: -76.106 flat angles C4'-P-C4' energy: -92.447 flat angles P-C4'-P energy: -57.291 tors. eta vs tors. theta energy: -98.182 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: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1177.540577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.540577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.540577 (E_RNA) where: Base-Base interactions energy: -766.862 where: short stacking energy: -339.601 Base-Backbone interact. energy: -0.671 local terms energy: -410.007350 where: bonds (distance) C4'-P energy: -73.505 bonds (distance) P-C4' energy: -74.682 flat angles C4'-P-C4' energy: -80.898 flat angles P-C4'-P energy: -66.092 tors. eta vs tors. theta energy: -114.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1102.633007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.633007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.633007 (E_RNA) where: Base-Base interactions energy: -746.463 where: short stacking energy: -316.989 Base-Backbone interact. energy: -2.214 local terms energy: -353.955724 where: bonds (distance) C4'-P energy: -70.579 bonds (distance) P-C4' energy: -55.260 flat angles C4'-P-C4' energy: -73.136 flat angles P-C4'-P energy: -52.120 tors. eta vs tors. theta energy: -102.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -983.223145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.223145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.223145 (E_RNA) where: Base-Base interactions energy: -640.033 where: short stacking energy: -273.159 Base-Backbone interact. energy: -2.469 local terms energy: -340.720244 where: bonds (distance) C4'-P energy: -68.537 bonds (distance) P-C4' energy: -69.014 flat angles C4'-P-C4' energy: -78.812 flat angles P-C4'-P energy: -48.051 tors. eta vs tors. theta energy: -76.305 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: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -768.694878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.694878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.694878 (E_RNA) where: Base-Base interactions energy: -485.651 where: short stacking energy: -200.925 Base-Backbone interact. energy: -3.860 local terms energy: -279.183670 where: bonds (distance) C4'-P energy: -58.436 bonds (distance) P-C4' energy: -58.831 flat angles C4'-P-C4' energy: -56.975 flat angles P-C4'-P energy: -48.551 tors. eta vs tors. theta energy: -56.391 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: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -655.193538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.193538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.193538 (E_RNA) where: Base-Base interactions energy: -368.718 where: short stacking energy: -187.154 Base-Backbone interact. energy: -2.924 local terms energy: -283.551487 where: bonds (distance) C4'-P energy: -76.609 bonds (distance) P-C4' energy: -65.423 flat angles C4'-P-C4' energy: -65.720 flat angles P-C4'-P energy: -43.707 tors. eta vs tors. theta energy: -32.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -459.950122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.950122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.950122 (E_RNA) where: Base-Base interactions energy: -213.387 where: short stacking energy: -144.832 Base-Backbone interact. energy: 1.610 local terms energy: -248.172661 where: bonds (distance) C4'-P energy: -58.840 bonds (distance) P-C4' energy: -73.367 flat angles C4'-P-C4' energy: -61.828 flat angles P-C4'-P energy: -40.520 tors. eta vs tors. theta energy: -13.618 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: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -342.508692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.508692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.508692 (E_RNA) where: Base-Base interactions energy: -118.302 where: short stacking energy: -94.529 Base-Backbone interact. energy: -0.065 local terms energy: -224.142460 where: bonds (distance) C4'-P energy: -63.374 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -66.129 flat angles P-C4'-P energy: -23.383 tors. eta vs tors. theta energy: 3.732 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: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -325.618532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.618532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.618532 (E_RNA) where: Base-Base interactions energy: -117.015 where: short stacking energy: -79.408 Base-Backbone interact. energy: -1.808 local terms energy: -206.794706 where: bonds (distance) C4'-P energy: -65.166 bonds (distance) P-C4' energy: -53.611 flat angles C4'-P-C4' energy: -58.359 flat angles P-C4'-P energy: -41.666 tors. eta vs tors. theta energy: 12.007 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: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1310.358628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.358628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.358628 (E_RNA) where: Base-Base interactions energy: -893.459 where: short stacking energy: -380.101 Base-Backbone interact. energy: 0.656 local terms energy: -417.555924 where: bonds (distance) C4'-P energy: -76.135 bonds (distance) P-C4' energy: -89.992 flat angles C4'-P-C4' energy: -82.574 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -109.762 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: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1251.922167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.922167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.922167 (E_RNA) where: Base-Base interactions energy: -841.988 where: short stacking energy: -366.456 Base-Backbone interact. energy: 0.310 local terms energy: -410.243811 where: bonds (distance) C4'-P energy: -79.981 bonds (distance) P-C4' energy: -76.861 flat angles C4'-P-C4' energy: -87.617 flat angles P-C4'-P energy: -64.265 tors. eta vs tors. theta energy: -101.519 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: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1187.097114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.097114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.097114 (E_RNA) where: Base-Base interactions energy: -767.310 where: short stacking energy: -351.100 Base-Backbone interact. energy: -0.402 local terms energy: -419.385155 where: bonds (distance) C4'-P energy: -77.363 bonds (distance) P-C4' energy: -82.571 flat angles C4'-P-C4' energy: -82.048 flat angles P-C4'-P energy: -57.054 tors. eta vs tors. theta energy: -120.348 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: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1117.603234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.603234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.603234 (E_RNA) where: Base-Base interactions energy: -747.550 where: short stacking energy: -326.324 Base-Backbone interact. energy: -4.192 local terms energy: -365.861395 where: bonds (distance) C4'-P energy: -64.445 bonds (distance) P-C4' energy: -81.101 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -49.806 tors. eta vs tors. theta energy: -100.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1045.940332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.940332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.940332 (E_RNA) where: Base-Base interactions energy: -673.866 where: short stacking energy: -291.183 Base-Backbone interact. energy: -1.981 local terms energy: -370.093097 where: bonds (distance) C4'-P energy: -74.421 bonds (distance) P-C4' energy: -79.300 flat angles C4'-P-C4' energy: -79.926 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -85.334 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: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -778.088184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.088184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.088184 (E_RNA) where: Base-Base interactions energy: -460.620 where: short stacking energy: -231.473 Base-Backbone interact. energy: -1.138 local terms energy: -316.330170 where: bonds (distance) C4'-P energy: -75.146 bonds (distance) P-C4' energy: -72.449 flat angles C4'-P-C4' energy: -63.481 flat angles P-C4'-P energy: -45.022 tors. eta vs tors. theta energy: -60.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -640.854406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.854406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.854406 (E_RNA) where: Base-Base interactions energy: -380.561 where: short stacking energy: -175.577 Base-Backbone interact. energy: -1.337 local terms energy: -258.956956 where: bonds (distance) C4'-P energy: -60.434 bonds (distance) P-C4' energy: -69.017 flat angles C4'-P-C4' energy: -54.637 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: -23.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -452.889439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.889439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.889439 (E_RNA) where: Base-Base interactions energy: -206.306 where: short stacking energy: -120.974 Base-Backbone interact. energy: -1.850 local terms energy: -244.733397 where: bonds (distance) C4'-P energy: -74.663 bonds (distance) P-C4' energy: -68.652 flat angles C4'-P-C4' energy: -59.730 flat angles P-C4'-P energy: -37.497 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -367.503151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.503151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.503151 (E_RNA) where: Base-Base interactions energy: -151.036 where: short stacking energy: -97.322 Base-Backbone interact. energy: -0.323 local terms energy: -216.144911 where: bonds (distance) C4'-P energy: -71.971 bonds (distance) P-C4' energy: -66.397 flat angles C4'-P-C4' energy: -53.751 flat angles P-C4'-P energy: -31.594 tors. eta vs tors. theta energy: 7.569 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: 10, replica: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -338.906520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.906520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.906520 (E_RNA) where: Base-Base interactions energy: -137.178 where: short stacking energy: -109.481 Base-Backbone interact. energy: -2.843 local terms energy: -198.885975 where: bonds (distance) C4'-P energy: -61.179 bonds (distance) P-C4' energy: -60.598 flat angles C4'-P-C4' energy: -48.703 flat angles P-C4'-P energy: -27.576 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1303.785004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.785004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.785004 (E_RNA) where: Base-Base interactions energy: -873.573 where: short stacking energy: -379.307 Base-Backbone interact. energy: -1.262 local terms energy: -428.949992 where: bonds (distance) C4'-P energy: -86.799 bonds (distance) P-C4' energy: -79.280 flat angles C4'-P-C4' energy: -89.678 flat angles P-C4'-P energy: -63.625 tors. eta vs tors. theta energy: -109.570 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: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1274.955368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.955368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.955368 (E_RNA) where: Base-Base interactions energy: -859.308 where: short stacking energy: -335.904 Base-Backbone interact. energy: -3.698 local terms energy: -411.949179 where: bonds (distance) C4'-P energy: -77.531 bonds (distance) P-C4' energy: -85.249 flat angles C4'-P-C4' energy: -89.709 flat angles P-C4'-P energy: -55.007 tors. eta vs tors. theta energy: -104.453 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: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1190.206193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.206193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.206193 (E_RNA) where: Base-Base interactions energy: -779.749 where: short stacking energy: -363.042 Base-Backbone interact. energy: -1.521 local terms energy: -408.936601 where: bonds (distance) C4'-P energy: -77.966 bonds (distance) P-C4' energy: -81.311 flat angles C4'-P-C4' energy: -84.241 flat angles P-C4'-P energy: -55.076 tors. eta vs tors. theta energy: -110.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1102.799126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.799126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.799126 (E_RNA) where: Base-Base interactions energy: -703.789 where: short stacking energy: -314.681 Base-Backbone interact. energy: -2.354 local terms energy: -396.655719 where: bonds (distance) C4'-P energy: -65.317 bonds (distance) P-C4' energy: -86.192 flat angles C4'-P-C4' energy: -85.103 flat angles P-C4'-P energy: -56.092 tors. eta vs tors. theta energy: -103.952 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: 155 Temperature: 1.100000 Total energy: -1039.595170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.595170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.595170 (E_RNA) where: Base-Base interactions energy: -675.574 where: short stacking energy: -307.059 Base-Backbone interact. energy: -1.420 local terms energy: -362.601573 where: bonds (distance) C4'-P energy: -62.389 bonds (distance) P-C4' energy: -81.521 flat angles C4'-P-C4' energy: -77.808 flat angles P-C4'-P energy: -62.813 tors. eta vs tors. theta energy: -78.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -794.720401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.720401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.720401 (E_RNA) where: Base-Base interactions energy: -499.824 where: short stacking energy: -225.780 Base-Backbone interact. energy: 0.405 local terms energy: -295.301199 where: bonds (distance) C4'-P energy: -62.174 bonds (distance) P-C4' energy: -76.079 flat angles C4'-P-C4' energy: -64.321 flat angles P-C4'-P energy: -41.318 tors. eta vs tors. theta energy: -51.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -591.474905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.474905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.474905 (E_RNA) where: Base-Base interactions energy: -321.819 where: short stacking energy: -158.331 Base-Backbone interact. energy: 4.322 local terms energy: -273.977612 where: bonds (distance) C4'-P energy: -68.123 bonds (distance) P-C4' energy: -76.066 flat angles C4'-P-C4' energy: -70.072 flat angles P-C4'-P energy: -39.917 tors. eta vs tors. theta energy: -19.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -451.653467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.653467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.653467 (E_RNA) where: Base-Base interactions energy: -202.219 where: short stacking energy: -112.205 Base-Backbone interact. energy: -4.148 local terms energy: -245.286667 where: bonds (distance) C4'-P energy: -69.678 bonds (distance) P-C4' energy: -70.653 flat angles C4'-P-C4' energy: -61.120 flat angles P-C4'-P energy: -27.161 tors. eta vs tors. theta energy: -16.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -337.666502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.666502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.666502 (E_RNA) where: Base-Base interactions energy: -129.900 where: short stacking energy: -90.346 Base-Backbone interact. energy: 0.144 local terms energy: -207.910793 where: bonds (distance) C4'-P energy: -45.875 bonds (distance) P-C4' energy: -66.995 flat angles C4'-P-C4' energy: -65.405 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: 11.387 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: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -333.980933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.980933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.980933 (E_RNA) where: Base-Base interactions energy: -100.894 where: short stacking energy: -78.982 Base-Backbone interact. energy: -0.309 local terms energy: -232.778133 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -78.777 flat angles C4'-P-C4' energy: -49.460 flat angles P-C4'-P energy: -39.835 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1322.052764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.052764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.052764 (E_RNA) where: Base-Base interactions energy: -889.060 where: short stacking energy: -386.914 Base-Backbone interact. energy: -3.674 local terms energy: -429.318752 where: bonds (distance) C4'-P energy: -79.931 bonds (distance) P-C4' energy: -81.998 flat angles C4'-P-C4' energy: -93.181 flat angles P-C4'-P energy: -61.063 tors. eta vs tors. theta energy: -113.146 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: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1251.252525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.252525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.252525 (E_RNA) where: Base-Base interactions energy: -850.357 where: short stacking energy: -345.843 Base-Backbone interact. energy: 1.648 local terms energy: -402.543498 where: bonds (distance) C4'-P energy: -73.959 bonds (distance) P-C4' energy: -85.358 flat angles C4'-P-C4' energy: -80.823 flat angles P-C4'-P energy: -63.217 tors. eta vs tors. theta energy: -99.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1188.494218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.494218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.494218 (E_RNA) where: Base-Base interactions energy: -797.423 where: short stacking energy: -328.959 Base-Backbone interact. energy: -1.637 local terms energy: -389.434210 where: bonds (distance) C4'-P energy: -79.257 bonds (distance) P-C4' energy: -68.966 flat angles C4'-P-C4' energy: -85.319 flat angles P-C4'-P energy: -48.200 tors. eta vs tors. theta energy: -107.693 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: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1090.007725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.007725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.007725 (E_RNA) where: Base-Base interactions energy: -713.221 where: short stacking energy: -298.322 Base-Backbone interact. energy: 0.424 local terms energy: -377.210710 where: bonds (distance) C4'-P energy: -80.000 bonds (distance) P-C4' energy: -68.461 flat angles C4'-P-C4' energy: -77.208 flat angles P-C4'-P energy: -58.040 tors. eta vs tors. theta energy: -93.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1047.423019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.423019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.423019 (E_RNA) where: Base-Base interactions energy: -697.534 where: short stacking energy: -290.257 Base-Backbone interact. energy: -2.257 local terms energy: -347.632665 where: bonds (distance) C4'-P energy: -79.843 bonds (distance) P-C4' energy: -74.484 flat angles C4'-P-C4' energy: -74.486 flat angles P-C4'-P energy: -42.968 tors. eta vs tors. theta energy: -75.851 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: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -770.951859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.951859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.951859 (E_RNA) where: Base-Base interactions energy: -475.394 where: short stacking energy: -209.636 Base-Backbone interact. energy: 2.667 local terms energy: -298.224892 where: bonds (distance) C4'-P energy: -58.141 bonds (distance) P-C4' energy: -66.340 flat angles C4'-P-C4' energy: -74.464 flat angles P-C4'-P energy: -52.046 tors. eta vs tors. theta energy: -47.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -623.816639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.816639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.816639 (E_RNA) where: Base-Base interactions energy: -330.948 where: short stacking energy: -179.843 Base-Backbone interact. energy: -0.897 local terms energy: -291.971777 where: bonds (distance) C4'-P energy: -69.544 bonds (distance) P-C4' energy: -77.483 flat angles C4'-P-C4' energy: -68.950 flat angles P-C4'-P energy: -44.059 tors. eta vs tors. theta energy: -31.937 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: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -510.777543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.777543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.777543 (E_RNA) where: Base-Base interactions energy: -238.859 where: short stacking energy: -157.353 Base-Backbone interact. energy: -0.999 local terms energy: -270.918896 where: bonds (distance) C4'-P energy: -60.380 bonds (distance) P-C4' energy: -80.775 flat angles C4'-P-C4' energy: -72.365 flat angles P-C4'-P energy: -36.635 tors. eta vs tors. theta energy: -20.764 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: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -351.454227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.454227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.454227 (E_RNA) where: Base-Base interactions energy: -115.272 where: short stacking energy: -81.928 Base-Backbone interact. energy: 1.230 local terms energy: -237.412532 where: bonds (distance) C4'-P energy: -72.466 bonds (distance) P-C4' energy: -70.496 flat angles C4'-P-C4' energy: -68.562 flat angles P-C4'-P energy: -28.755 tors. eta vs tors. theta energy: 2.867 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: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -320.437651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.437651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.437651 (E_RNA) where: Base-Base interactions energy: -118.325 where: short stacking energy: -91.647 Base-Backbone interact. energy: -1.902 local terms energy: -200.210367 where: bonds (distance) C4'-P energy: -64.089 bonds (distance) P-C4' energy: -72.426 flat angles C4'-P-C4' energy: -51.106 flat angles P-C4'-P energy: -39.644 tors. eta vs tors. theta energy: 27.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1332.132599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.132599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.132599 (E_RNA) where: Base-Base interactions energy: -918.024 where: short stacking energy: -402.206 Base-Backbone interact. energy: -0.322 local terms energy: -413.787186 where: bonds (distance) C4'-P energy: -77.389 bonds (distance) P-C4' energy: -75.859 flat angles C4'-P-C4' energy: -87.721 flat angles P-C4'-P energy: -55.363 tors. eta vs tors. theta energy: -117.455 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: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1230.386092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.386092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.386092 (E_RNA) where: Base-Base interactions energy: -834.616 where: short stacking energy: -337.818 Base-Backbone interact. energy: -4.974 local terms energy: -390.796160 where: bonds (distance) C4'-P energy: -78.467 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -88.884 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -90.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1181.479189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.479189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.479189 (E_RNA) where: Base-Base interactions energy: -796.094 where: short stacking energy: -348.663 Base-Backbone interact. energy: -1.179 local terms energy: -384.205850 where: bonds (distance) C4'-P energy: -72.746 bonds (distance) P-C4' energy: -74.312 flat angles C4'-P-C4' energy: -74.615 flat angles P-C4'-P energy: -63.281 tors. eta vs tors. theta energy: -99.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1107.059947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.059947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.059947 (E_RNA) where: Base-Base interactions energy: -712.058 where: short stacking energy: -313.255 Base-Backbone interact. energy: -3.129 local terms energy: -391.872750 where: bonds (distance) C4'-P energy: -74.982 bonds (distance) P-C4' energy: -78.298 flat angles C4'-P-C4' energy: -88.393 flat angles P-C4'-P energy: -60.272 tors. eta vs tors. theta energy: -89.927 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: 10 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1066.175276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.175276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.175276 (E_RNA) where: Base-Base interactions energy: -686.087 where: short stacking energy: -304.881 Base-Backbone interact. energy: -0.408 local terms energy: -379.680365 where: bonds (distance) C4'-P energy: -77.583 bonds (distance) P-C4' energy: -75.847 flat angles C4'-P-C4' energy: -82.609 flat angles P-C4'-P energy: -50.233 tors. eta vs tors. theta energy: -93.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -804.290251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.290251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.290251 (E_RNA) where: Base-Base interactions energy: -505.226 where: short stacking energy: -216.968 Base-Backbone interact. energy: -1.219 local terms energy: -297.844850 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -72.589 flat angles C4'-P-C4' energy: -75.738 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -48.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -659.871586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.871586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.871586 (E_RNA) where: Base-Base interactions energy: -380.879 where: short stacking energy: -197.854 Base-Backbone interact. energy: 0.415 local terms energy: -279.408152 where: bonds (distance) C4'-P energy: -60.256 bonds (distance) P-C4' energy: -60.963 flat angles C4'-P-C4' energy: -72.992 flat angles P-C4'-P energy: -52.644 tors. eta vs tors. theta energy: -32.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -461.556896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.556896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.556896 (E_RNA) where: Base-Base interactions energy: -214.034 where: short stacking energy: -138.623 Base-Backbone interact. energy: -2.467 local terms energy: -245.056279 where: bonds (distance) C4'-P energy: -56.615 bonds (distance) P-C4' energy: -76.649 flat angles C4'-P-C4' energy: -61.701 flat angles P-C4'-P energy: -40.749 tors. eta vs tors. theta energy: -9.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -362.771285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.771285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.771285 (E_RNA) where: Base-Base interactions energy: -123.463 where: short stacking energy: -97.044 Base-Backbone interact. energy: -0.081 local terms energy: -239.227358 where: bonds (distance) C4'-P energy: -69.241 bonds (distance) P-C4' energy: -74.417 flat angles C4'-P-C4' energy: -62.366 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: 2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -301.809674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.809674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.809674 (E_RNA) where: Base-Base interactions energy: -97.428 where: short stacking energy: -73.019 Base-Backbone interact. energy: 7.985 local terms energy: -212.367170 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -58.381 flat angles P-C4'-P energy: -32.200 tors. eta vs tors. theta energy: 2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1335.632035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.632035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.632035 (E_RNA) where: Base-Base interactions energy: -914.151 where: short stacking energy: -393.784 Base-Backbone interact. energy: -1.240 local terms energy: -420.240900 where: bonds (distance) C4'-P energy: -74.620 bonds (distance) P-C4' energy: -80.461 flat angles C4'-P-C4' energy: -86.416 flat angles P-C4'-P energy: -64.636 tors. eta vs tors. theta energy: -114.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1246.821640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.821640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.821640 (E_RNA) where: Base-Base interactions energy: -847.486 where: short stacking energy: -357.229 Base-Backbone interact. energy: 2.527 local terms energy: -401.862280 where: bonds (distance) C4'-P energy: -67.546 bonds (distance) P-C4' energy: -80.665 flat angles C4'-P-C4' energy: -91.748 flat angles P-C4'-P energy: -61.156 tors. eta vs tors. theta energy: -100.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1197.305069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.305069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.305069 (E_RNA) where: Base-Base interactions energy: -796.546 where: short stacking energy: -347.200 Base-Backbone interact. energy: -1.606 local terms energy: -399.152811 where: bonds (distance) C4'-P energy: -73.826 bonds (distance) P-C4' energy: -79.763 flat angles C4'-P-C4' energy: -86.610 flat angles P-C4'-P energy: -53.198 tors. eta vs tors. theta energy: -105.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1097.900896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.900896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.900896 (E_RNA) where: Base-Base interactions energy: -723.120 where: short stacking energy: -325.954 Base-Backbone interact. energy: -3.217 local terms energy: -371.563479 where: bonds (distance) C4'-P energy: -65.643 bonds (distance) P-C4' energy: -71.484 flat angles C4'-P-C4' energy: -81.120 flat angles P-C4'-P energy: -57.535 tors. eta vs tors. theta energy: -95.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1051.122443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.122443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.122443 (E_RNA) where: Base-Base interactions energy: -695.391 where: short stacking energy: -299.948 Base-Backbone interact. energy: -2.479 local terms energy: -353.252218 where: bonds (distance) C4'-P energy: -76.676 bonds (distance) P-C4' energy: -72.385 flat angles C4'-P-C4' energy: -67.106 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -86.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -816.293442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.293442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.293442 (E_RNA) where: Base-Base interactions energy: -511.372 where: short stacking energy: -239.246 Base-Backbone interact. energy: -2.946 local terms energy: -301.975561 where: bonds (distance) C4'-P energy: -65.207 bonds (distance) P-C4' energy: -72.485 flat angles C4'-P-C4' energy: -72.983 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: -51.346 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: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -627.339622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.339622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.339622 (E_RNA) where: Base-Base interactions energy: -352.190 where: short stacking energy: -173.170 Base-Backbone interact. energy: -0.349 local terms energy: -274.800388 where: bonds (distance) C4'-P energy: -65.821 bonds (distance) P-C4' energy: -78.705 flat angles C4'-P-C4' energy: -68.529 flat angles P-C4'-P energy: -40.289 tors. eta vs tors. theta energy: -21.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -486.475369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.475369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.475369 (E_RNA) where: Base-Base interactions energy: -229.508 where: short stacking energy: -128.588 Base-Backbone interact. energy: -2.785 local terms energy: -254.182412 where: bonds (distance) C4'-P energy: -68.488 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -67.172 flat angles P-C4'-P energy: -46.656 tors. eta vs tors. theta energy: -3.832 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: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -355.615315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.615315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.615315 (E_RNA) where: Base-Base interactions energy: -146.378 where: short stacking energy: -117.329 Base-Backbone interact. energy: -2.115 local terms energy: -207.121456 where: bonds (distance) C4'-P energy: -56.929 bonds (distance) P-C4' energy: -77.815 flat angles C4'-P-C4' energy: -63.954 flat angles P-C4'-P energy: -15.092 tors. eta vs tors. theta energy: 6.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -318.145143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.145143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.145143 (E_RNA) where: Base-Base interactions energy: -88.650 where: short stacking energy: -76.026 Base-Backbone interact. energy: -2.220 local terms energy: -227.274843 where: bonds (distance) C4'-P energy: -71.106 bonds (distance) P-C4' energy: -65.564 flat angles C4'-P-C4' energy: -69.345 flat angles P-C4'-P energy: -34.395 tors. eta vs tors. theta energy: 13.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1329.585568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.585568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.585568 (E_RNA) where: Base-Base interactions energy: -911.121 where: short stacking energy: -385.502 Base-Backbone interact. energy: 1.051 local terms energy: -419.515382 where: bonds (distance) C4'-P energy: -90.696 bonds (distance) P-C4' energy: -77.173 flat angles C4'-P-C4' energy: -86.236 flat angles P-C4'-P energy: -56.541 tors. eta vs tors. theta energy: -108.868 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: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1245.925837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.925837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.925837 (E_RNA) where: Base-Base interactions energy: -843.059 where: short stacking energy: -333.376 Base-Backbone interact. energy: 0.030 local terms energy: -402.896292 where: bonds (distance) C4'-P energy: -76.440 bonds (distance) P-C4' energy: -86.193 flat angles C4'-P-C4' energy: -79.652 flat angles P-C4'-P energy: -57.924 tors. eta vs tors. theta energy: -102.686 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: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1184.612035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.612035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.612035 (E_RNA) where: Base-Base interactions energy: -777.780 where: short stacking energy: -348.288 Base-Backbone interact. energy: -0.886 local terms energy: -405.946748 where: bonds (distance) C4'-P energy: -75.952 bonds (distance) P-C4' energy: -74.647 flat angles C4'-P-C4' energy: -88.400 flat angles P-C4'-P energy: -59.023 tors. eta vs tors. theta energy: -107.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1074.184398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.184398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.184398 (E_RNA) where: Base-Base interactions energy: -691.314 where: short stacking energy: -294.465 Base-Backbone interact. energy: 0.340 local terms energy: -383.210155 where: bonds (distance) C4'-P energy: -69.583 bonds (distance) P-C4' energy: -76.741 flat angles C4'-P-C4' energy: -87.108 flat angles P-C4'-P energy: -54.005 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: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1013.978290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.978290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.978290 (E_RNA) where: Base-Base interactions energy: -628.525 where: short stacking energy: -277.478 Base-Backbone interact. energy: -0.293 local terms energy: -385.160689 where: bonds (distance) C4'-P energy: -75.582 bonds (distance) P-C4' energy: -81.187 flat angles C4'-P-C4' energy: -78.832 flat angles P-C4'-P energy: -55.521 tors. eta vs tors. theta energy: -94.039 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: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -827.376307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.376307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.376307 (E_RNA) where: Base-Base interactions energy: -511.639 where: short stacking energy: -229.798 Base-Backbone interact. energy: -1.064 local terms energy: -314.673665 where: bonds (distance) C4'-P energy: -78.028 bonds (distance) P-C4' energy: -70.380 flat angles C4'-P-C4' energy: -71.171 flat angles P-C4'-P energy: -40.387 tors. eta vs tors. theta energy: -54.709 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: 159 Temperature: 1.200000 Total energy: -626.655644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.655644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.655644 (E_RNA) where: Base-Base interactions energy: -378.526 where: short stacking energy: -170.034 Base-Backbone interact. energy: -1.170 local terms energy: -246.959777 where: bonds (distance) C4'-P energy: -52.383 bonds (distance) P-C4' energy: -64.009 flat angles C4'-P-C4' energy: -64.399 flat angles P-C4'-P energy: -42.844 tors. eta vs tors. theta energy: -23.325 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: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -478.981512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.981512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.981512 (E_RNA) where: Base-Base interactions energy: -216.275 where: short stacking energy: -115.973 Base-Backbone interact. energy: -2.744 local terms energy: -259.962698 where: bonds (distance) C4'-P energy: -73.423 bonds (distance) P-C4' energy: -75.163 flat angles C4'-P-C4' energy: -59.614 flat angles P-C4'-P energy: -41.541 tors. eta vs tors. theta energy: -10.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -341.513108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.513108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.513108 (E_RNA) where: Base-Base interactions energy: -124.527 where: short stacking energy: -104.525 Base-Backbone interact. energy: 0.328 local terms energy: -217.314286 where: bonds (distance) C4'-P energy: -66.868 bonds (distance) P-C4' energy: -67.045 flat angles C4'-P-C4' energy: -52.413 flat angles P-C4'-P energy: -28.689 tors. eta vs tors. theta energy: -2.299 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: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -335.694762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.694762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.694762 (E_RNA) where: Base-Base interactions energy: -127.195 where: short stacking energy: -91.821 Base-Backbone interact. energy: 1.130 local terms energy: -209.630367 where: bonds (distance) C4'-P energy: -51.646 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -55.678 flat angles P-C4'-P energy: -34.280 tors. eta vs tors. theta energy: 8.660 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: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1308.379929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.379929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.379929 (E_RNA) where: Base-Base interactions energy: -896.799 where: short stacking energy: -375.811 Base-Backbone interact. energy: 0.621 local terms energy: -412.201391 where: bonds (distance) C4'-P energy: -86.001 bonds (distance) P-C4' energy: -71.543 flat angles C4'-P-C4' energy: -86.300 flat angles P-C4'-P energy: -62.218 tors. eta vs tors. theta energy: -106.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1210.240594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.240594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.240594 (E_RNA) where: Base-Base interactions energy: -822.274 where: short stacking energy: -327.681 Base-Backbone interact. energy: 1.578 local terms energy: -389.544185 where: bonds (distance) C4'-P energy: -81.171 bonds (distance) P-C4' energy: -83.270 flat angles C4'-P-C4' energy: -78.563 flat angles P-C4'-P energy: -52.030 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: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1154.265026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.265026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.265026 (E_RNA) where: Base-Base interactions energy: -750.045 where: short stacking energy: -329.923 Base-Backbone interact. energy: -3.239 local terms energy: -400.981070 where: bonds (distance) C4'-P energy: -77.499 bonds (distance) P-C4' energy: -68.585 flat angles C4'-P-C4' energy: -86.625 flat angles P-C4'-P energy: -60.431 tors. eta vs tors. theta energy: -107.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1080.364325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.364325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.364325 (E_RNA) where: Base-Base interactions energy: -722.645 where: short stacking energy: -312.196 Base-Backbone interact. energy: -1.029 local terms energy: -356.690727 where: bonds (distance) C4'-P energy: -70.635 bonds (distance) P-C4' energy: -72.279 flat angles C4'-P-C4' energy: -87.578 flat angles P-C4'-P energy: -46.237 tors. eta vs tors. theta energy: -79.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -975.837502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.837502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.837502 (E_RNA) where: Base-Base interactions energy: -676.445 where: short stacking energy: -274.943 Base-Backbone interact. energy: -1.870 local terms energy: -297.523052 where: bonds (distance) C4'-P energy: -64.439 bonds (distance) P-C4' energy: -57.128 flat angles C4'-P-C4' energy: -73.173 flat angles P-C4'-P energy: -37.934 tors. eta vs tors. theta energy: -64.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -844.496442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.496442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.496442 (E_RNA) where: Base-Base interactions energy: -524.311 where: short stacking energy: -224.257 Base-Backbone interact. energy: 3.758 local terms energy: -323.942744 where: bonds (distance) C4'-P energy: -61.121 bonds (distance) P-C4' energy: -76.463 flat angles C4'-P-C4' energy: -77.711 flat angles P-C4'-P energy: -51.704 tors. eta vs tors. theta energy: -56.945 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: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -626.525390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.525390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.525390 (E_RNA) where: Base-Base interactions energy: -343.930 where: short stacking energy: -165.893 Base-Backbone interact. energy: 2.547 local terms energy: -285.142188 where: bonds (distance) C4'-P energy: -61.523 bonds (distance) P-C4' energy: -77.556 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -46.797 tors. eta vs tors. theta energy: -25.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -427.169002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.169002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.169002 (E_RNA) where: Base-Base interactions energy: -197.965 where: short stacking energy: -113.356 Base-Backbone interact. energy: -1.150 local terms energy: -228.054682 where: bonds (distance) C4'-P energy: -71.163 bonds (distance) P-C4' energy: -66.959 flat angles C4'-P-C4' energy: -62.156 flat angles P-C4'-P energy: -31.591 tors. eta vs tors. theta energy: 3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -362.293287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.293287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.293287 (E_RNA) where: Base-Base interactions energy: -175.015 where: short stacking energy: -111.426 Base-Backbone interact. energy: 4.693 local terms energy: -191.971731 where: bonds (distance) C4'-P energy: -50.642 bonds (distance) P-C4' energy: -65.822 flat angles C4'-P-C4' energy: -59.003 flat angles P-C4'-P energy: -28.178 tors. eta vs tors. theta energy: 11.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -301.243406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.243406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.243406 (E_RNA) where: Base-Base interactions energy: -112.480 where: short stacking energy: -71.349 Base-Backbone interact. energy: 1.323 local terms energy: -190.086357 where: bonds (distance) C4'-P energy: -72.400 bonds (distance) P-C4' energy: -63.466 flat angles C4'-P-C4' energy: -58.474 flat angles P-C4'-P energy: -16.583 tors. eta vs tors. theta energy: 20.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1329.967310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.967310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.967310 (E_RNA) where: Base-Base interactions energy: -913.919 where: short stacking energy: -395.537 Base-Backbone interact. energy: 2.408 local terms energy: -418.456349 where: bonds (distance) C4'-P energy: -81.010 bonds (distance) P-C4' energy: -81.673 flat angles C4'-P-C4' energy: -89.368 flat angles P-C4'-P energy: -54.343 tors. eta vs tors. theta energy: -112.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1216.218206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.218206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.218206 (E_RNA) where: Base-Base interactions energy: -816.306 where: short stacking energy: -349.218 Base-Backbone interact. energy: -0.688 local terms energy: -399.224056 where: bonds (distance) C4'-P energy: -81.762 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -89.223 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: -100.874 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: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1186.614609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.614609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.614609 (E_RNA) where: Base-Base interactions energy: -789.485 where: short stacking energy: -349.071 Base-Backbone interact. energy: -0.719 local terms energy: -396.411095 where: bonds (distance) C4'-P energy: -71.028 bonds (distance) P-C4' energy: -80.357 flat angles C4'-P-C4' energy: -87.016 flat angles P-C4'-P energy: -43.559 tors. eta vs tors. theta energy: -114.451 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: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1092.831302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.831302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.831302 (E_RNA) where: Base-Base interactions energy: -721.300 where: short stacking energy: -317.926 Base-Backbone interact. energy: -1.090 local terms energy: -370.441153 where: bonds (distance) C4'-P energy: -66.736 bonds (distance) P-C4' energy: -76.662 flat angles C4'-P-C4' energy: -88.752 flat angles P-C4'-P energy: -54.099 tors. eta vs tors. theta energy: -84.193 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: 10 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -996.980930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.980930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.980930 (E_RNA) where: Base-Base interactions energy: -656.820 where: short stacking energy: -288.221 Base-Backbone interact. energy: -0.838 local terms energy: -339.322075 where: bonds (distance) C4'-P energy: -66.792 bonds (distance) P-C4' energy: -76.280 flat angles C4'-P-C4' energy: -71.079 flat angles P-C4'-P energy: -52.351 tors. eta vs tors. theta energy: -72.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -851.698710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.698710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.698710 (E_RNA) where: Base-Base interactions energy: -528.185 where: short stacking energy: -236.599 Base-Backbone interact. energy: 0.761 local terms energy: -324.275145 where: bonds (distance) C4'-P energy: -62.582 bonds (distance) P-C4' energy: -78.466 flat angles C4'-P-C4' energy: -66.505 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -55.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -630.040018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.040018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.040018 (E_RNA) where: Base-Base interactions energy: -366.177 where: short stacking energy: -179.860 Base-Backbone interact. energy: 2.432 local terms energy: -266.294798 where: bonds (distance) C4'-P energy: -73.996 bonds (distance) P-C4' energy: -66.766 flat angles C4'-P-C4' energy: -63.185 flat angles P-C4'-P energy: -37.205 tors. eta vs tors. theta energy: -25.143 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: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -465.147662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.147662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.147662 (E_RNA) where: Base-Base interactions energy: -236.547 where: short stacking energy: -127.024 Base-Backbone interact. energy: 0.111 local terms energy: -228.711563 where: bonds (distance) C4'-P energy: -63.974 bonds (distance) P-C4' energy: -66.056 flat angles C4'-P-C4' energy: -56.840 flat angles P-C4'-P energy: -42.019 tors. eta vs tors. theta energy: 0.178 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: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -330.209407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.209407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.209407 (E_RNA) where: Base-Base interactions energy: -115.356 where: short stacking energy: -95.059 Base-Backbone interact. energy: 2.215 local terms energy: -217.068770 where: bonds (distance) C4'-P energy: -68.735 bonds (distance) P-C4' energy: -74.642 flat angles C4'-P-C4' energy: -51.458 flat angles P-C4'-P energy: -33.477 tors. eta vs tors. theta energy: 11.244 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: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -314.000478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.000478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.000478 (E_RNA) where: Base-Base interactions energy: -110.493 where: short stacking energy: -80.456 Base-Backbone interact. energy: 0.305 local terms energy: -203.811720 where: bonds (distance) C4'-P energy: -48.865 bonds (distance) P-C4' energy: -78.139 flat angles C4'-P-C4' energy: -53.934 flat angles P-C4'-P energy: -32.525 tors. eta vs tors. theta energy: 9.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1326.767323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.767323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.767323 (E_RNA) where: Base-Base interactions energy: -899.387 where: short stacking energy: -384.663 Base-Backbone interact. energy: 0.018 local terms energy: -427.397425 where: bonds (distance) C4'-P energy: -68.804 bonds (distance) P-C4' energy: -86.019 flat angles C4'-P-C4' energy: -92.979 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -117.950 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: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1213.558987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.558987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.558987 (E_RNA) where: Base-Base interactions energy: -823.058 where: short stacking energy: -326.617 Base-Backbone interact. energy: 2.105 local terms energy: -392.605865 where: bonds (distance) C4'-P energy: -78.102 bonds (distance) P-C4' energy: -70.012 flat angles C4'-P-C4' energy: -81.916 flat angles P-C4'-P energy: -54.249 tors. eta vs tors. theta energy: -108.327 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: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1194.689119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.689119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.689119 (E_RNA) where: Base-Base interactions energy: -821.594 where: short stacking energy: -347.443 Base-Backbone interact. energy: -1.326 local terms energy: -371.769972 where: bonds (distance) C4'-P energy: -67.649 bonds (distance) P-C4' energy: -71.463 flat angles C4'-P-C4' energy: -80.789 flat angles P-C4'-P energy: -41.945 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: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1075.532108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.532108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.532108 (E_RNA) where: Base-Base interactions energy: -708.945 where: short stacking energy: -333.434 Base-Backbone interact. energy: 0.460 local terms energy: -367.047544 where: bonds (distance) C4'-P energy: -84.116 bonds (distance) P-C4' energy: -77.982 flat angles C4'-P-C4' energy: -77.924 flat angles P-C4'-P energy: -44.913 tors. eta vs tors. theta energy: -82.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -992.002933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.002933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.002933 (E_RNA) where: Base-Base interactions energy: -646.039 where: short stacking energy: -292.728 Base-Backbone interact. energy: -3.081 local terms energy: -342.882882 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -68.538 flat angles C4'-P-C4' energy: -73.369 flat angles P-C4'-P energy: -58.946 tors. eta vs tors. theta energy: -78.831 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: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -817.864483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.864483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.864483 (E_RNA) where: Base-Base interactions energy: -486.144 where: short stacking energy: -241.036 Base-Backbone interact. energy: -0.982 local terms energy: -330.738178 where: bonds (distance) C4'-P energy: -76.915 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -78.075 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -61.109 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: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -623.368675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.368675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.368675 (E_RNA) where: Base-Base interactions energy: -351.416 where: short stacking energy: -171.233 Base-Backbone interact. energy: -1.304 local terms energy: -270.647817 where: bonds (distance) C4'-P energy: -72.010 bonds (distance) P-C4' energy: -68.349 flat angles C4'-P-C4' energy: -74.897 flat angles P-C4'-P energy: -40.857 tors. eta vs tors. theta energy: -14.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -461.504600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.504600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.504600 (E_RNA) where: Base-Base interactions energy: -219.810 where: short stacking energy: -111.445 Base-Backbone interact. energy: 0.039 local terms energy: -241.733213 where: bonds (distance) C4'-P energy: -71.091 bonds (distance) P-C4' energy: -80.231 flat angles C4'-P-C4' energy: -61.640 flat angles P-C4'-P energy: -38.758 tors. eta vs tors. theta energy: 9.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -350.969762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.969762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.969762 (E_RNA) where: Base-Base interactions energy: -134.895 where: short stacking energy: -106.816 Base-Backbone interact. energy: 0.667 local terms energy: -216.741547 where: bonds (distance) C4'-P energy: -62.750 bonds (distance) P-C4' energy: -75.954 flat angles C4'-P-C4' energy: -48.191 flat angles P-C4'-P energy: -33.738 tors. eta vs tors. theta energy: 3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -323.385691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.385691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.385691 (E_RNA) where: Base-Base interactions energy: -122.100 where: short stacking energy: -69.590 Base-Backbone interact. energy: 4.044 local terms energy: -205.329375 where: bonds (distance) C4'-P energy: -72.387 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -59.518 flat angles P-C4'-P energy: -28.859 tors. eta vs tors. theta energy: 13.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1328.786158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.786158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.786158 (E_RNA) where: Base-Base interactions energy: -907.516 where: short stacking energy: -376.985 Base-Backbone interact. energy: 0.107 local terms energy: -421.376775 where: bonds (distance) C4'-P energy: -82.358 bonds (distance) P-C4' energy: -79.881 flat angles C4'-P-C4' energy: -82.587 flat angles P-C4'-P energy: -66.277 tors. eta vs tors. theta energy: -110.274 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: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1214.585235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.585235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.585235 (E_RNA) where: Base-Base interactions energy: -812.321 where: short stacking energy: -352.632 Base-Backbone interact. energy: -3.513 local terms energy: -398.751417 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -85.274 flat angles C4'-P-C4' energy: -83.141 flat angles P-C4'-P energy: -63.733 tors. eta vs tors. theta energy: -100.753 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: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1158.251447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.251447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.251447 (E_RNA) where: Base-Base interactions energy: -749.153 where: short stacking energy: -327.404 Base-Backbone interact. energy: -2.016 local terms energy: -407.082764 where: bonds (distance) C4'-P energy: -74.795 bonds (distance) P-C4' energy: -82.505 flat angles C4'-P-C4' energy: -86.515 flat angles P-C4'-P energy: -57.462 tors. eta vs tors. theta energy: -105.805 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: 163 Temperature: 1.050000 Total energy: -1050.497474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.497474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.497474 (E_RNA) where: Base-Base interactions energy: -677.191 where: short stacking energy: -318.607 Base-Backbone interact. energy: -2.736 local terms energy: -370.570267 where: bonds (distance) C4'-P energy: -72.105 bonds (distance) P-C4' energy: -76.271 flat angles C4'-P-C4' energy: -82.533 flat angles P-C4'-P energy: -49.059 tors. eta vs tors. theta energy: -90.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -988.706147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.706147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.706147 (E_RNA) where: Base-Base interactions energy: -635.612 where: short stacking energy: -287.562 Base-Backbone interact. energy: -2.111 local terms energy: -350.983295 where: bonds (distance) C4'-P energy: -76.228 bonds (distance) P-C4' energy: -72.555 flat angles C4'-P-C4' energy: -69.235 flat angles P-C4'-P energy: -52.216 tors. eta vs tors. theta energy: -80.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -781.612300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.612300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.612300 (E_RNA) where: Base-Base interactions energy: -462.603 where: short stacking energy: -213.071 Base-Backbone interact. energy: -2.400 local terms energy: -316.609737 where: bonds (distance) C4'-P energy: -70.052 bonds (distance) P-C4' energy: -78.102 flat angles C4'-P-C4' energy: -67.191 flat angles P-C4'-P energy: -53.477 tors. eta vs tors. theta energy: -47.788 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: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -678.251070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.251070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.251070 (E_RNA) where: Base-Base interactions energy: -394.322 where: short stacking energy: -191.880 Base-Backbone interact. energy: -0.974 local terms energy: -282.955176 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -57.857 flat angles C4'-P-C4' energy: -66.553 flat angles P-C4'-P energy: -48.558 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: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -437.335272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.335272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.335272 (E_RNA) where: Base-Base interactions energy: -200.456 where: short stacking energy: -116.162 Base-Backbone interact. energy: -2.287 local terms energy: -234.591586 where: bonds (distance) C4'-P energy: -75.777 bonds (distance) P-C4' energy: -70.631 flat angles C4'-P-C4' energy: -53.077 flat angles P-C4'-P energy: -30.366 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -320.916478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.916478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.916478 (E_RNA) where: Base-Base interactions energy: -82.589 where: short stacking energy: -73.214 Base-Backbone interact. energy: -1.653 local terms energy: -236.674094 where: bonds (distance) C4'-P energy: -78.417 bonds (distance) P-C4' energy: -72.378 flat angles C4'-P-C4' energy: -58.623 flat angles P-C4'-P energy: -25.320 tors. eta vs tors. theta energy: -1.936 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: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -303.591319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.591319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.591319 (E_RNA) where: Base-Base interactions energy: -108.863 where: short stacking energy: -89.273 Base-Backbone interact. energy: 2.069 local terms energy: -196.797446 where: bonds (distance) C4'-P energy: -73.731 bonds (distance) P-C4' energy: -43.915 flat angles C4'-P-C4' energy: -58.873 flat angles P-C4'-P energy: -34.427 tors. eta vs tors. theta energy: 14.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1320.264810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.264810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.264810 (E_RNA) where: Base-Base interactions energy: -885.294 where: short stacking energy: -372.716 Base-Backbone interact. energy: 3.233 local terms energy: -438.203769 where: bonds (distance) C4'-P energy: -92.069 bonds (distance) P-C4' energy: -79.495 flat angles C4'-P-C4' energy: -93.346 flat angles P-C4'-P energy: -63.019 tors. eta vs tors. theta energy: -110.274 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: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1213.393342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.393342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.393342 (E_RNA) where: Base-Base interactions energy: -813.017 where: short stacking energy: -341.391 Base-Backbone interact. energy: 1.350 local terms energy: -401.726544 where: bonds (distance) C4'-P energy: -65.960 bonds (distance) P-C4' energy: -85.585 flat angles C4'-P-C4' energy: -84.306 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -104.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1216.843991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.843991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.843991 (E_RNA) where: Base-Base interactions energy: -829.308 where: short stacking energy: -358.352 Base-Backbone interact. energy: -4.219 local terms energy: -383.317227 where: bonds (distance) C4'-P energy: -71.970 bonds (distance) P-C4' energy: -64.027 flat angles C4'-P-C4' energy: -76.529 flat angles P-C4'-P energy: -57.824 tors. eta vs tors. theta energy: -112.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1101.786791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.786791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.786791 (E_RNA) where: Base-Base interactions energy: -731.271 where: short stacking energy: -301.830 Base-Backbone interact. energy: -3.407 local terms energy: -367.108476 where: bonds (distance) C4'-P energy: -65.312 bonds (distance) P-C4' energy: -82.210 flat angles C4'-P-C4' energy: -80.716 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -90.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1015.997044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.997044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.997044 (E_RNA) where: Base-Base interactions energy: -654.138 where: short stacking energy: -294.315 Base-Backbone interact. energy: -3.198 local terms energy: -358.661226 where: bonds (distance) C4'-P energy: -62.851 bonds (distance) P-C4' energy: -74.208 flat angles C4'-P-C4' energy: -81.431 flat angles P-C4'-P energy: -62.784 tors. eta vs tors. theta energy: -77.387 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: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -826.380891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.380891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.380891 (E_RNA) where: Base-Base interactions energy: -500.737 where: short stacking energy: -228.614 Base-Backbone interact. energy: -2.003 local terms energy: -323.640947 where: bonds (distance) C4'-P energy: -71.372 bonds (distance) P-C4' energy: -75.405 flat angles C4'-P-C4' energy: -80.334 flat angles P-C4'-P energy: -35.050 tors. eta vs tors. theta energy: -61.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -696.501889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.501889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.501889 (E_RNA) where: Base-Base interactions energy: -403.631 where: short stacking energy: -204.022 Base-Backbone interact. energy: 2.305 local terms energy: -295.175571 where: bonds (distance) C4'-P energy: -67.472 bonds (distance) P-C4' energy: -72.455 flat angles C4'-P-C4' energy: -72.571 flat angles P-C4'-P energy: -42.293 tors. eta vs tors. theta energy: -40.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -432.519394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.519394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.519394 (E_RNA) where: Base-Base interactions energy: -194.478 where: short stacking energy: -112.861 Base-Backbone interact. energy: -2.019 local terms energy: -236.021784 where: bonds (distance) C4'-P energy: -67.936 bonds (distance) P-C4' energy: -77.259 flat angles C4'-P-C4' energy: -58.809 flat angles P-C4'-P energy: -35.435 tors. eta vs tors. theta energy: 3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -336.029293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.029293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.029293 (E_RNA) where: Base-Base interactions energy: -108.143 where: short stacking energy: -98.257 Base-Backbone interact. energy: -1.247 local terms energy: -226.639060 where: bonds (distance) C4'-P energy: -63.698 bonds (distance) P-C4' energy: -71.853 flat angles C4'-P-C4' energy: -67.093 flat angles P-C4'-P energy: -33.975 tors. eta vs tors. theta energy: 9.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -328.557403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.557403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.557403 (E_RNA) where: Base-Base interactions energy: -129.261 where: short stacking energy: -87.163 Base-Backbone interact. energy: 3.496 local terms energy: -202.792491 where: bonds (distance) C4'-P energy: -64.108 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -44.918 flat angles P-C4'-P energy: -36.101 tors. eta vs tors. theta energy: 6.453 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: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1306.892101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.892101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.892101 (E_RNA) where: Base-Base interactions energy: -898.455 where: short stacking energy: -371.253 Base-Backbone interact. energy: -3.365 local terms energy: -405.071891 where: bonds (distance) C4'-P energy: -79.172 bonds (distance) P-C4' energy: -81.743 flat angles C4'-P-C4' energy: -86.012 flat angles P-C4'-P energy: -54.307 tors. eta vs tors. theta energy: -103.838 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: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1203.887785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.887785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.887785 (E_RNA) where: Base-Base interactions energy: -806.779 where: short stacking energy: -335.608 Base-Backbone interact. energy: -2.918 local terms energy: -394.191103 where: bonds (distance) C4'-P energy: -75.420 bonds (distance) P-C4' energy: -80.347 flat angles C4'-P-C4' energy: -80.764 flat angles P-C4'-P energy: -58.743 tors. eta vs tors. theta energy: -98.917 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: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1156.896450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.896450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.896450 (E_RNA) where: Base-Base interactions energy: -754.978 where: short stacking energy: -354.879 Base-Backbone interact. energy: -0.221 local terms energy: -401.697587 where: bonds (distance) C4'-P energy: -79.400 bonds (distance) P-C4' energy: -83.581 flat angles C4'-P-C4' energy: -81.898 flat angles P-C4'-P energy: -56.523 tors. eta vs tors. theta energy: -100.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1088.508011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.508011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.508011 (E_RNA) where: Base-Base interactions energy: -719.923 where: short stacking energy: -318.155 Base-Backbone interact. energy: -0.241 local terms energy: -368.343219 where: bonds (distance) C4'-P energy: -82.392 bonds (distance) P-C4' energy: -64.917 flat angles C4'-P-C4' energy: -74.963 flat angles P-C4'-P energy: -55.230 tors. eta vs tors. theta energy: -90.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -989.009141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.009141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.009141 (E_RNA) where: Base-Base interactions energy: -654.894 where: short stacking energy: -279.684 Base-Backbone interact. energy: 0.003 local terms energy: -334.117532 where: bonds (distance) C4'-P energy: -69.673 bonds (distance) P-C4' energy: -73.885 flat angles C4'-P-C4' energy: -65.129 flat angles P-C4'-P energy: -47.381 tors. eta vs tors. theta energy: -78.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -776.656893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.656893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.656893 (E_RNA) where: Base-Base interactions energy: -471.225 where: short stacking energy: -209.615 Base-Backbone interact. energy: -2.597 local terms energy: -302.835188 where: bonds (distance) C4'-P energy: -63.510 bonds (distance) P-C4' energy: -67.055 flat angles C4'-P-C4' energy: -66.319 flat angles P-C4'-P energy: -48.562 tors. eta vs tors. theta energy: -57.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -681.472360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.472360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.472360 (E_RNA) where: Base-Base interactions energy: -419.018 where: short stacking energy: -191.393 Base-Backbone interact. energy: -0.946 local terms energy: -261.508716 where: bonds (distance) C4'-P energy: -61.095 bonds (distance) P-C4' energy: -60.409 flat angles C4'-P-C4' energy: -65.382 flat angles P-C4'-P energy: -45.864 tors. eta vs tors. theta energy: -28.759 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: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -467.224250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.224250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.224250 (E_RNA) where: Base-Base interactions energy: -224.872 where: short stacking energy: -153.079 Base-Backbone interact. energy: -1.125 local terms energy: -241.227339 where: bonds (distance) C4'-P energy: -64.072 bonds (distance) P-C4' energy: -48.809 flat angles C4'-P-C4' energy: -66.764 flat angles P-C4'-P energy: -39.121 tors. eta vs tors. theta energy: -22.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -328.546309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.546309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.546309 (E_RNA) where: Base-Base interactions energy: -93.976 where: short stacking energy: -72.240 Base-Backbone interact. energy: -3.071 local terms energy: -231.499555 where: bonds (distance) C4'-P energy: -68.061 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -74.337 flat angles P-C4'-P energy: -38.616 tors. eta vs tors. theta energy: 18.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -310.676641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.676641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.676641 (E_RNA) where: Base-Base interactions energy: -91.084 where: short stacking energy: -77.166 Base-Backbone interact. energy: 1.381 local terms energy: -220.973462 where: bonds (distance) C4'-P energy: -56.862 bonds (distance) P-C4' energy: -80.677 flat angles C4'-P-C4' energy: -63.051 flat angles P-C4'-P energy: -36.721 tors. eta vs tors. theta energy: 16.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1320.387300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.387300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.387300 (E_RNA) where: Base-Base interactions energy: -886.736 where: short stacking energy: -369.708 Base-Backbone interact. energy: 0.584 local terms energy: -434.235503 where: bonds (distance) C4'-P energy: -82.786 bonds (distance) P-C4' energy: -85.999 flat angles C4'-P-C4' energy: -90.950 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -107.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1187.349911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.349911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.349911 (E_RNA) where: Base-Base interactions energy: -783.534 where: short stacking energy: -336.486 Base-Backbone interact. energy: -3.676 local terms energy: -400.139520 where: bonds (distance) C4'-P energy: -68.927 bonds (distance) P-C4' energy: -95.597 flat angles C4'-P-C4' energy: -78.592 flat angles P-C4'-P energy: -54.284 tors. eta vs tors. theta energy: -102.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1186.022662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.022662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.022662 (E_RNA) where: Base-Base interactions energy: -786.410 where: short stacking energy: -337.602 Base-Backbone interact. energy: 0.301 local terms energy: -399.913390 where: bonds (distance) C4'-P energy: -80.841 bonds (distance) P-C4' energy: -78.515 flat angles C4'-P-C4' energy: -88.309 flat angles P-C4'-P energy: -52.574 tors. eta vs tors. theta energy: -99.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1060.469146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.469146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.469146 (E_RNA) where: Base-Base interactions energy: -702.893 where: short stacking energy: -300.283 Base-Backbone interact. energy: 1.309 local terms energy: -358.885598 where: bonds (distance) C4'-P energy: -65.841 bonds (distance) P-C4' energy: -71.997 flat angles C4'-P-C4' energy: -90.415 flat angles P-C4'-P energy: -48.786 tors. eta vs tors. theta energy: -81.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -977.724592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.724592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.724592 (E_RNA) where: Base-Base interactions energy: -655.775 where: short stacking energy: -271.738 Base-Backbone interact. energy: -2.155 local terms energy: -319.794152 where: bonds (distance) C4'-P energy: -73.367 bonds (distance) P-C4' energy: -67.512 flat angles C4'-P-C4' energy: -69.249 flat angles P-C4'-P energy: -32.912 tors. eta vs tors. theta energy: -76.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -757.049846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.049846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.049846 (E_RNA) where: Base-Base interactions energy: -456.647 where: short stacking energy: -215.679 Base-Backbone interact. energy: 2.487 local terms energy: -302.889593 where: bonds (distance) C4'-P energy: -62.710 bonds (distance) P-C4' energy: -73.925 flat angles C4'-P-C4' energy: -70.131 flat angles P-C4'-P energy: -50.424 tors. eta vs tors. theta energy: -45.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -659.713677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.713677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.713677 (E_RNA) where: Base-Base interactions energy: -354.481 where: short stacking energy: -168.425 Base-Backbone interact. energy: 3.448 local terms energy: -308.680936 where: bonds (distance) C4'-P energy: -79.675 bonds (distance) P-C4' energy: -66.290 flat angles C4'-P-C4' energy: -83.574 flat angles P-C4'-P energy: -50.554 tors. eta vs tors. theta energy: -28.589 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: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -457.620949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.620949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.620949 (E_RNA) where: Base-Base interactions energy: -221.729 where: short stacking energy: -114.645 Base-Backbone interact. energy: 1.775 local terms energy: -237.667146 where: bonds (distance) C4'-P energy: -65.394 bonds (distance) P-C4' energy: -66.930 flat angles C4'-P-C4' energy: -65.901 flat angles P-C4'-P energy: -44.980 tors. eta vs tors. theta energy: 5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -333.464840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.464840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.464840 (E_RNA) where: Base-Base interactions energy: -110.383 where: short stacking energy: -96.124 Base-Backbone interact. energy: 0.930 local terms energy: -224.011450 where: bonds (distance) C4'-P energy: -64.253 bonds (distance) P-C4' energy: -75.438 flat angles C4'-P-C4' energy: -61.380 flat angles P-C4'-P energy: -34.601 tors. eta vs tors. theta energy: 11.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -332.727130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.727130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.727130 (E_RNA) where: Base-Base interactions energy: -109.550 where: short stacking energy: -85.836 Base-Backbone interact. energy: 2.126 local terms energy: -225.303430 where: bonds (distance) C4'-P energy: -81.927 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -66.766 flat angles P-C4'-P energy: -26.071 tors. eta vs tors. theta energy: 14.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1326.693196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.693196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.693196 (E_RNA) where: Base-Base interactions energy: -904.861 where: short stacking energy: -361.751 Base-Backbone interact. energy: -3.787 local terms energy: -418.044769 where: bonds (distance) C4'-P energy: -75.571 bonds (distance) P-C4' energy: -88.022 flat angles C4'-P-C4' energy: -93.173 flat angles P-C4'-P energy: -53.773 tors. eta vs tors. theta energy: -107.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1205.202558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.202558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.202558 (E_RNA) where: Base-Base interactions energy: -810.629 where: short stacking energy: -346.257 Base-Backbone interact. energy: 0.667 local terms energy: -395.240307 where: bonds (distance) C4'-P energy: -80.921 bonds (distance) P-C4' energy: -81.661 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -56.753 tors. eta vs tors. theta energy: -102.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1156.958341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.958341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.958341 (E_RNA) where: Base-Base interactions energy: -776.745 where: short stacking energy: -334.033 Base-Backbone interact. energy: -1.958 local terms energy: -378.254990 where: bonds (distance) C4'-P energy: -58.901 bonds (distance) P-C4' energy: -87.727 flat angles C4'-P-C4' energy: -83.977 flat angles P-C4'-P energy: -53.256 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: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1038.798721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.798721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.798721 (E_RNA) where: Base-Base interactions energy: -686.330 where: short stacking energy: -306.195 Base-Backbone interact. energy: -4.243 local terms energy: -348.225942 where: bonds (distance) C4'-P energy: -75.612 bonds (distance) P-C4' energy: -61.607 flat angles C4'-P-C4' energy: -72.867 flat angles P-C4'-P energy: -52.386 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: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1033.227459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.227459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.227459 (E_RNA) where: Base-Base interactions energy: -689.551 where: short stacking energy: -297.609 Base-Backbone interact. energy: -0.981 local terms energy: -342.696159 where: bonds (distance) C4'-P energy: -70.700 bonds (distance) P-C4' energy: -79.200 flat angles C4'-P-C4' energy: -74.571 flat angles P-C4'-P energy: -34.839 tors. eta vs tors. theta energy: -83.385 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: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -765.991464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.991464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.991464 (E_RNA) where: Base-Base interactions energy: -455.868 where: short stacking energy: -213.765 Base-Backbone interact. energy: -0.387 local terms energy: -309.737073 where: bonds (distance) C4'-P energy: -65.662 bonds (distance) P-C4' energy: -64.785 flat angles C4'-P-C4' energy: -72.404 flat angles P-C4'-P energy: -50.859 tors. eta vs tors. theta energy: -56.028 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: 167 Temperature: 1.200000 Total energy: -608.699858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.699858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.699858 (E_RNA) where: Base-Base interactions energy: -320.637 where: short stacking energy: -158.007 Base-Backbone interact. energy: 1.911 local terms energy: -289.974058 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -89.816 flat angles C4'-P-C4' energy: -67.165 flat angles P-C4'-P energy: -43.728 tors. eta vs tors. theta energy: -20.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -432.426933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.426933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.426933 (E_RNA) where: Base-Base interactions energy: -183.413 where: short stacking energy: -132.045 Base-Backbone interact. energy: -3.080 local terms energy: -245.934185 where: bonds (distance) C4'-P energy: -66.773 bonds (distance) P-C4' energy: -76.906 flat angles C4'-P-C4' energy: -59.124 flat angles P-C4'-P energy: -26.510 tors. eta vs tors. theta energy: -16.622 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: 167 Temperature: 1.300000 Total energy: -374.378171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.378171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.378171 (E_RNA) where: Base-Base interactions energy: -154.679 where: short stacking energy: -115.977 Base-Backbone interact. energy: -1.562 local terms energy: -218.136830 where: bonds (distance) C4'-P energy: -58.281 bonds (distance) P-C4' energy: -69.652 flat angles C4'-P-C4' energy: -65.677 flat angles P-C4'-P energy: -32.570 tors. eta vs tors. theta energy: 8.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -334.355861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.355861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.355861 (E_RNA) where: Base-Base interactions energy: -107.483 where: short stacking energy: -85.900 Base-Backbone interact. energy: 2.682 local terms energy: -229.555148 where: bonds (distance) C4'-P energy: -65.641 bonds (distance) P-C4' energy: -81.154 flat angles C4'-P-C4' energy: -41.224 flat angles P-C4'-P energy: -46.721 tors. eta vs tors. theta energy: 5.185 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: 6 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1321.762412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.762412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.762412 (E_RNA) where: Base-Base interactions energy: -897.008 where: short stacking energy: -371.721 Base-Backbone interact. energy: -1.438 local terms energy: -423.316144 where: bonds (distance) C4'-P energy: -78.950 bonds (distance) P-C4' energy: -72.351 flat angles C4'-P-C4' energy: -97.677 flat angles P-C4'-P energy: -61.976 tors. eta vs tors. theta energy: -112.363 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: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1225.390481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.390481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.390481 (E_RNA) where: Base-Base interactions energy: -821.766 where: short stacking energy: -365.457 Base-Backbone interact. energy: -2.784 local terms energy: -400.840067 where: bonds (distance) C4'-P energy: -83.887 bonds (distance) P-C4' energy: -80.904 flat angles C4'-P-C4' energy: -80.722 flat angles P-C4'-P energy: -50.308 tors. eta vs tors. theta energy: -105.019 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: 168 Temperature: 1.000000 Total energy: -1221.348673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.348673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.348673 (E_RNA) where: Base-Base interactions energy: -809.402 where: short stacking energy: -373.700 Base-Backbone interact. energy: -0.199 local terms energy: -411.747919 where: bonds (distance) C4'-P energy: -68.151 bonds (distance) P-C4' energy: -89.013 flat angles C4'-P-C4' energy: -88.414 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -114.017 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: 10 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1074.906144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.906144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.906144 (E_RNA) where: Base-Base interactions energy: -711.738 where: short stacking energy: -311.792 Base-Backbone interact. energy: -1.180 local terms energy: -361.988376 where: bonds (distance) C4'-P energy: -77.461 bonds (distance) P-C4' energy: -68.474 flat angles C4'-P-C4' energy: -77.479 flat angles P-C4'-P energy: -50.772 tors. eta vs tors. theta energy: -87.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1033.259309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.259309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.259309 (E_RNA) where: Base-Base interactions energy: -678.742 where: short stacking energy: -282.333 Base-Backbone interact. energy: 1.049 local terms energy: -355.566055 where: bonds (distance) C4'-P energy: -74.551 bonds (distance) P-C4' energy: -64.380 flat angles C4'-P-C4' energy: -79.505 flat angles P-C4'-P energy: -51.468 tors. eta vs tors. theta energy: -85.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -735.745470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.745470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.745470 (E_RNA) where: Base-Base interactions energy: -455.235 where: short stacking energy: -199.965 Base-Backbone interact. energy: 0.421 local terms energy: -280.931759 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -76.414 flat angles C4'-P-C4' energy: -62.852 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -33.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -593.489029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.489029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.489029 (E_RNA) where: Base-Base interactions energy: -319.407 where: short stacking energy: -183.115 Base-Backbone interact. energy: -0.484 local terms energy: -273.597927 where: bonds (distance) C4'-P energy: -62.478 bonds (distance) P-C4' energy: -63.949 flat angles C4'-P-C4' energy: -68.634 flat angles P-C4'-P energy: -46.264 tors. eta vs tors. theta energy: -32.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -451.544013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.544013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.544013 (E_RNA) where: Base-Base interactions energy: -211.212 where: short stacking energy: -120.987 Base-Backbone interact. energy: -0.372 local terms energy: -239.959712 where: bonds (distance) C4'-P energy: -74.667 bonds (distance) P-C4' energy: -66.699 flat angles C4'-P-C4' energy: -66.426 flat angles P-C4'-P energy: -32.234 tors. eta vs tors. theta energy: 0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -338.620379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.620379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.620379 (E_RNA) where: Base-Base interactions energy: -109.832 where: short stacking energy: -88.318 Base-Backbone interact. energy: 2.973 local terms energy: -231.760930 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -73.356 flat angles C4'-P-C4' energy: -66.547 flat angles P-C4'-P energy: -43.295 tors. eta vs tors. theta energy: 13.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -325.626207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.626207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.626207 (E_RNA) where: Base-Base interactions energy: -98.358 where: short stacking energy: -73.685 Base-Backbone interact. energy: -1.088 local terms energy: -226.179703 where: bonds (distance) C4'-P energy: -70.124 bonds (distance) P-C4' energy: -63.652 flat angles C4'-P-C4' energy: -63.261 flat angles P-C4'-P energy: -26.095 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1341.105397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.105397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.105397 (E_RNA) where: Base-Base interactions energy: -923.836 where: short stacking energy: -379.914 Base-Backbone interact. energy: -1.248 local terms energy: -416.021721 where: bonds (distance) C4'-P energy: -76.198 bonds (distance) P-C4' energy: -84.032 flat angles C4'-P-C4' energy: -84.847 flat angles P-C4'-P energy: -57.612 tors. eta vs tors. theta energy: -113.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1221.469230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.469230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.469230 (E_RNA) where: Base-Base interactions energy: -833.560 where: short stacking energy: -361.414 Base-Backbone interact. energy: -0.659 local terms energy: -387.250660 where: bonds (distance) C4'-P energy: -78.726 bonds (distance) P-C4' energy: -78.149 flat angles C4'-P-C4' energy: -79.681 flat angles P-C4'-P energy: -50.547 tors. eta vs tors. theta energy: -100.148 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: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1165.849048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.849048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.849048 (E_RNA) where: Base-Base interactions energy: -781.604 where: short stacking energy: -335.177 Base-Backbone interact. energy: -1.541 local terms energy: -382.703700 where: bonds (distance) C4'-P energy: -78.202 bonds (distance) P-C4' energy: -74.999 flat angles C4'-P-C4' energy: -82.778 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: -100.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1061.584551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.584551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.584551 (E_RNA) where: Base-Base interactions energy: -675.742 where: short stacking energy: -299.402 Base-Backbone interact. energy: -0.829 local terms energy: -385.012871 where: bonds (distance) C4'-P energy: -80.926 bonds (distance) P-C4' energy: -76.159 flat angles C4'-P-C4' energy: -86.510 flat angles P-C4'-P energy: -54.377 tors. eta vs tors. theta energy: -87.040 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: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1064.214891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.214891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.214891 (E_RNA) where: Base-Base interactions energy: -713.093 where: short stacking energy: -306.423 Base-Backbone interact. energy: -0.776 local terms energy: -350.345301 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -74.957 flat angles C4'-P-C4' energy: -82.918 flat angles P-C4'-P energy: -54.287 tors. eta vs tors. theta energy: -83.676 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: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -802.153867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.153867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.153867 (E_RNA) where: Base-Base interactions energy: -505.684 where: short stacking energy: -233.367 Base-Backbone interact. energy: -1.569 local terms energy: -294.900312 where: bonds (distance) C4'-P energy: -57.810 bonds (distance) P-C4' energy: -71.934 flat angles C4'-P-C4' energy: -74.211 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -46.734 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: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -571.207590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.207590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.207590 (E_RNA) where: Base-Base interactions energy: -297.353 where: short stacking energy: -155.030 Base-Backbone interact. energy: 1.843 local terms energy: -275.697587 where: bonds (distance) C4'-P energy: -70.402 bonds (distance) P-C4' energy: -80.543 flat angles C4'-P-C4' energy: -57.717 flat angles P-C4'-P energy: -47.062 tors. eta vs tors. theta energy: -19.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -457.430994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.430994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.430994 (E_RNA) where: Base-Base interactions energy: -218.109 where: short stacking energy: -128.062 Base-Backbone interact. energy: -0.104 local terms energy: -239.218595 where: bonds (distance) C4'-P energy: -61.959 bonds (distance) P-C4' energy: -65.025 flat angles C4'-P-C4' energy: -60.098 flat angles P-C4'-P energy: -43.502 tors. eta vs tors. theta energy: -8.635 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: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -339.078972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.078972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.078972 (E_RNA) where: Base-Base interactions energy: -122.959 where: short stacking energy: -105.627 Base-Backbone interact. energy: 0.852 local terms energy: -216.972668 where: bonds (distance) C4'-P energy: -71.595 bonds (distance) P-C4' energy: -60.012 flat angles C4'-P-C4' energy: -55.299 flat angles P-C4'-P energy: -33.951 tors. eta vs tors. theta energy: 3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -323.730351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.730351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.730351 (E_RNA) where: Base-Base interactions energy: -127.442 where: short stacking energy: -104.331 Base-Backbone interact. energy: 1.677 local terms energy: -197.965515 where: bonds (distance) C4'-P energy: -59.736 bonds (distance) P-C4' energy: -58.234 flat angles C4'-P-C4' energy: -58.528 flat angles P-C4'-P energy: -19.566 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1335.265124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.265124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.265124 (E_RNA) where: Base-Base interactions energy: -916.633 where: short stacking energy: -388.309 Base-Backbone interact. energy: -1.593 local terms energy: -417.039456 where: bonds (distance) C4'-P energy: -80.439 bonds (distance) P-C4' energy: -83.741 flat angles C4'-P-C4' energy: -90.639 flat angles P-C4'-P energy: -55.000 tors. eta vs tors. theta energy: -107.220 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: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1232.013516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.013516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.013516 (E_RNA) where: Base-Base interactions energy: -813.125 where: short stacking energy: -346.740 Base-Backbone interact. energy: 1.482 local terms energy: -420.370776 where: bonds (distance) C4'-P energy: -85.793 bonds (distance) P-C4' energy: -79.481 flat angles C4'-P-C4' energy: -91.300 flat angles P-C4'-P energy: -52.915 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: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1151.461578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.461578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.461578 (E_RNA) where: Base-Base interactions energy: -753.426 where: short stacking energy: -335.939 Base-Backbone interact. energy: -1.681 local terms energy: -396.354586 where: bonds (distance) C4'-P energy: -74.641 bonds (distance) P-C4' energy: -76.398 flat angles C4'-P-C4' energy: -84.056 flat angles P-C4'-P energy: -56.063 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: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1084.594500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.594500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.594500 (E_RNA) where: Base-Base interactions energy: -706.506 where: short stacking energy: -302.928 Base-Backbone interact. energy: 0.010 local terms energy: -378.098652 where: bonds (distance) C4'-P energy: -69.488 bonds (distance) P-C4' energy: -80.836 flat angles C4'-P-C4' energy: -77.590 flat angles P-C4'-P energy: -60.886 tors. eta vs tors. theta energy: -89.299 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: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1056.298644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.298644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.298644 (E_RNA) where: Base-Base interactions energy: -716.037 where: short stacking energy: -287.651 Base-Backbone interact. energy: -2.166 local terms energy: -338.095629 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -78.865 flat angles C4'-P-C4' energy: -73.119 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -75.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -781.786803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.786803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.786803 (E_RNA) where: Base-Base interactions energy: -483.765 where: short stacking energy: -241.025 Base-Backbone interact. energy: 1.577 local terms energy: -299.598092 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -75.043 flat angles C4'-P-C4' energy: -77.440 flat angles P-C4'-P energy: -32.065 tors. eta vs tors. theta energy: -56.981 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: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -599.080058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.080058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.080058 (E_RNA) where: Base-Base interactions energy: -326.682 where: short stacking energy: -178.624 Base-Backbone interact. energy: -2.498 local terms energy: -269.900062 where: bonds (distance) C4'-P energy: -70.539 bonds (distance) P-C4' energy: -69.262 flat angles C4'-P-C4' energy: -72.335 flat angles P-C4'-P energy: -33.203 tors. eta vs tors. theta energy: -24.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -433.307468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.307468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.307468 (E_RNA) where: Base-Base interactions energy: -186.001 where: short stacking energy: -126.384 Base-Backbone interact. energy: -1.432 local terms energy: -245.874881 where: bonds (distance) C4'-P energy: -65.455 bonds (distance) P-C4' energy: -80.006 flat angles C4'-P-C4' energy: -54.741 flat angles P-C4'-P energy: -37.283 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: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -337.071919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.071919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.071919 (E_RNA) where: Base-Base interactions energy: -108.474 where: short stacking energy: -82.621 Base-Backbone interact. energy: 1.880 local terms energy: -230.478135 where: bonds (distance) C4'-P energy: -66.234 bonds (distance) P-C4' energy: -67.528 flat angles C4'-P-C4' energy: -67.809 flat angles P-C4'-P energy: -38.550 tors. eta vs tors. theta energy: 9.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -326.988880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.988880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.988880 (E_RNA) where: Base-Base interactions energy: -126.451 where: short stacking energy: -94.527 Base-Backbone interact. energy: 1.827 local terms energy: -202.364212 where: bonds (distance) C4'-P energy: -50.060 bonds (distance) P-C4' energy: -74.365 flat angles C4'-P-C4' energy: -56.952 flat angles P-C4'-P energy: -24.371 tors. eta vs tors. theta energy: 3.384 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: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1339.992465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.992465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.992465 (E_RNA) where: Base-Base interactions energy: -916.117 where: short stacking energy: -386.605 Base-Backbone interact. energy: -1.004 local terms energy: -422.870754 where: bonds (distance) C4'-P energy: -76.386 bonds (distance) P-C4' energy: -83.102 flat angles C4'-P-C4' energy: -83.668 flat angles P-C4'-P energy: -69.589 tors. eta vs tors. theta energy: -110.127 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: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1244.949803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.949803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.949803 (E_RNA) where: Base-Base interactions energy: -831.623 where: short stacking energy: -373.099 Base-Backbone interact. energy: 0.255 local terms energy: -413.582408 where: bonds (distance) C4'-P energy: -66.643 bonds (distance) P-C4' energy: -84.560 flat angles C4'-P-C4' energy: -84.884 flat angles P-C4'-P energy: -64.785 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: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1145.233330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.233330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.233330 (E_RNA) where: Base-Base interactions energy: -761.259 where: short stacking energy: -323.466 Base-Backbone interact. energy: -1.138 local terms energy: -382.836374 where: bonds (distance) C4'-P energy: -83.461 bonds (distance) P-C4' energy: -67.460 flat angles C4'-P-C4' energy: -80.701 flat angles P-C4'-P energy: -55.779 tors. eta vs tors. theta energy: -95.436 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: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1072.143038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.143038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.143038 (E_RNA) where: Base-Base interactions energy: -698.192 where: short stacking energy: -324.651 Base-Backbone interact. energy: -2.104 local terms energy: -371.847613 where: bonds (distance) C4'-P energy: -78.460 bonds (distance) P-C4' energy: -73.479 flat angles C4'-P-C4' energy: -73.743 flat angles P-C4'-P energy: -51.689 tors. eta vs tors. theta energy: -94.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1048.445119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.445119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.445119 (E_RNA) where: Base-Base interactions energy: -702.578 where: short stacking energy: -290.334 Base-Backbone interact. energy: -0.364 local terms energy: -345.502324 where: bonds (distance) C4'-P energy: -66.724 bonds (distance) P-C4' energy: -64.818 flat angles C4'-P-C4' energy: -86.322 flat angles P-C4'-P energy: -56.278 tors. eta vs tors. theta energy: -71.360 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: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -750.415615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.415615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.415615 (E_RNA) where: Base-Base interactions energy: -446.241 where: short stacking energy: -225.543 Base-Backbone interact. energy: -2.059 local terms energy: -302.115630 where: bonds (distance) C4'-P energy: -63.211 bonds (distance) P-C4' energy: -77.739 flat angles C4'-P-C4' energy: -76.633 flat angles P-C4'-P energy: -35.333 tors. eta vs tors. theta energy: -49.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -588.036686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.036686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.036686 (E_RNA) where: Base-Base interactions energy: -355.481 where: short stacking energy: -186.211 Base-Backbone interact. energy: -0.430 local terms energy: -232.125921 where: bonds (distance) C4'-P energy: -59.637 bonds (distance) P-C4' energy: -54.861 flat angles C4'-P-C4' energy: -63.113 flat angles P-C4'-P energy: -45.412 tors. eta vs tors. theta energy: -9.103 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: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -491.729606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.729606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.729606 (E_RNA) where: Base-Base interactions energy: -251.390 where: short stacking energy: -131.689 Base-Backbone interact. energy: -0.999 local terms energy: -239.340407 where: bonds (distance) C4'-P energy: -56.965 bonds (distance) P-C4' energy: -64.626 flat angles C4'-P-C4' energy: -61.368 flat angles P-C4'-P energy: -33.318 tors. eta vs tors. theta energy: -23.064 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: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -342.705601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.705601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.705601 (E_RNA) where: Base-Base interactions energy: -125.130 where: short stacking energy: -108.869 Base-Backbone interact. energy: -0.690 local terms energy: -216.885562 where: bonds (distance) C4'-P energy: -62.972 bonds (distance) P-C4' energy: -74.711 flat angles C4'-P-C4' energy: -54.972 flat angles P-C4'-P energy: -36.124 tors. eta vs tors. theta energy: 11.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -313.680007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.680007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.680007 (E_RNA) where: Base-Base interactions energy: -98.271 where: short stacking energy: -87.641 Base-Backbone interact. energy: -1.959 local terms energy: -213.449748 where: bonds (distance) C4'-P energy: -64.612 bonds (distance) P-C4' energy: -72.340 flat angles C4'-P-C4' energy: -51.855 flat angles P-C4'-P energy: -37.554 tors. eta vs tors. theta energy: 12.912 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: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1341.842031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.842031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.842031 (E_RNA) where: Base-Base interactions energy: -929.170 where: short stacking energy: -381.070 Base-Backbone interact. energy: -0.857 local terms energy: -411.814787 where: bonds (distance) C4'-P energy: -85.601 bonds (distance) P-C4' energy: -75.711 flat angles C4'-P-C4' energy: -85.621 flat angles P-C4'-P energy: -58.241 tors. eta vs tors. theta energy: -106.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1257.848785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.848785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.848785 (E_RNA) where: Base-Base interactions energy: -827.787 where: short stacking energy: -385.418 Base-Backbone interact. energy: 2.676 local terms energy: -432.737157 where: bonds (distance) C4'-P energy: -79.612 bonds (distance) P-C4' energy: -86.790 flat angles C4'-P-C4' energy: -93.652 flat angles P-C4'-P energy: -61.713 tors. eta vs tors. theta energy: -110.970 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: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1107.563321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.563321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.563321 (E_RNA) where: Base-Base interactions energy: -731.304 where: short stacking energy: -320.085 Base-Backbone interact. energy: -1.952 local terms energy: -374.307329 where: bonds (distance) C4'-P energy: -74.625 bonds (distance) P-C4' energy: -76.313 flat angles C4'-P-C4' energy: -72.124 flat angles P-C4'-P energy: -53.687 tors. eta vs tors. theta energy: -97.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1131.652650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.652650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.652650 (E_RNA) where: Base-Base interactions energy: -738.451 where: short stacking energy: -342.489 Base-Backbone interact. energy: 3.590 local terms energy: -396.791783 where: bonds (distance) C4'-P energy: -79.338 bonds (distance) P-C4' energy: -76.286 flat angles C4'-P-C4' energy: -85.748 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -104.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1001.051760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.051760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.051760 (E_RNA) where: Base-Base interactions energy: -659.253 where: short stacking energy: -303.151 Base-Backbone interact. energy: 0.903 local terms energy: -342.701838 where: bonds (distance) C4'-P energy: -69.093 bonds (distance) P-C4' energy: -60.715 flat angles C4'-P-C4' energy: -78.716 flat angles P-C4'-P energy: -52.291 tors. eta vs tors. theta energy: -81.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -741.880453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.880453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.880453 (E_RNA) where: Base-Base interactions energy: -434.267 where: short stacking energy: -224.567 Base-Backbone interact. energy: -0.909 local terms energy: -306.705129 where: bonds (distance) C4'-P energy: -62.493 bonds (distance) P-C4' energy: -80.055 flat angles C4'-P-C4' energy: -73.517 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: -40.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -528.915061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.915061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.915061 (E_RNA) where: Base-Base interactions energy: -266.526 where: short stacking energy: -158.245 Base-Backbone interact. energy: 3.730 local terms energy: -266.119119 where: bonds (distance) C4'-P energy: -73.329 bonds (distance) P-C4' energy: -71.167 flat angles C4'-P-C4' energy: -68.894 flat angles P-C4'-P energy: -36.729 tors. eta vs tors. theta energy: -16.000 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: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -582.950849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.950849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.950849 (E_RNA) where: Base-Base interactions energy: -303.188 where: short stacking energy: -148.250 Base-Backbone interact. energy: -1.768 local terms energy: -277.994711 where: bonds (distance) C4'-P energy: -61.243 bonds (distance) P-C4' energy: -73.709 flat angles C4'-P-C4' energy: -70.140 flat angles P-C4'-P energy: -45.662 tors. eta vs tors. theta energy: -27.241 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: 172 Temperature: 1.300000 Total energy: -347.497075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.497075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.497075 (E_RNA) where: Base-Base interactions energy: -123.335 where: short stacking energy: -105.036 Base-Backbone interact. energy: 1.159 local terms energy: -225.321449 where: bonds (distance) C4'-P energy: -69.340 bonds (distance) P-C4' energy: -78.826 flat angles C4'-P-C4' energy: -42.941 flat angles P-C4'-P energy: -25.255 tors. eta vs tors. theta energy: -8.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -309.358013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.358013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.358013 (E_RNA) where: Base-Base interactions energy: -103.830 where: short stacking energy: -76.092 Base-Backbone interact. energy: -2.688 local terms energy: -202.840811 where: bonds (distance) C4'-P energy: -48.070 bonds (distance) P-C4' energy: -69.928 flat angles C4'-P-C4' energy: -57.236 flat angles P-C4'-P energy: -35.230 tors. eta vs tors. theta energy: 7.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1324.333390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.333390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.333390 (E_RNA) where: Base-Base interactions energy: -907.064 where: short stacking energy: -367.867 Base-Backbone interact. energy: -2.286 local terms energy: -414.983219 where: bonds (distance) C4'-P energy: -85.976 bonds (distance) P-C4' energy: -70.249 flat angles C4'-P-C4' energy: -88.060 flat angles P-C4'-P energy: -56.758 tors. eta vs tors. theta energy: -113.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1233.092663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.092663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.092663 (E_RNA) where: Base-Base interactions energy: -829.437 where: short stacking energy: -357.454 Base-Backbone interact. energy: -1.535 local terms energy: -402.120613 where: bonds (distance) C4'-P energy: -75.956 bonds (distance) P-C4' energy: -76.581 flat angles C4'-P-C4' energy: -85.925 flat angles P-C4'-P energy: -58.434 tors. eta vs tors. theta energy: -105.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1091.010644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.010644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.010644 (E_RNA) where: Base-Base interactions energy: -701.698 where: short stacking energy: -323.797 Base-Backbone interact. energy: -1.149 local terms energy: -388.163831 where: bonds (distance) C4'-P energy: -82.744 bonds (distance) P-C4' energy: -70.812 flat angles C4'-P-C4' energy: -79.250 flat angles P-C4'-P energy: -59.101 tors. eta vs tors. theta energy: -96.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1112.878135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.878135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.878135 (E_RNA) where: Base-Base interactions energy: -740.833 where: short stacking energy: -334.032 Base-Backbone interact. energy: -0.373 local terms energy: -371.672286 where: bonds (distance) C4'-P energy: -67.314 bonds (distance) P-C4' energy: -71.040 flat angles C4'-P-C4' energy: -84.209 flat angles P-C4'-P energy: -52.828 tors. eta vs tors. theta energy: -96.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -999.407624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.407624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.407624 (E_RNA) where: Base-Base interactions energy: -642.681 where: short stacking energy: -272.153 Base-Backbone interact. energy: -2.392 local terms energy: -354.334782 where: bonds (distance) C4'-P energy: -77.827 bonds (distance) P-C4' energy: -70.909 flat angles C4'-P-C4' energy: -68.989 flat angles P-C4'-P energy: -57.397 tors. eta vs tors. theta energy: -79.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -785.291310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.291310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.291310 (E_RNA) where: Base-Base interactions energy: -478.568 where: short stacking energy: -229.751 Base-Backbone interact. energy: -1.770 local terms energy: -304.952690 where: bonds (distance) C4'-P energy: -64.886 bonds (distance) P-C4' energy: -68.122 flat angles C4'-P-C4' energy: -83.193 flat angles P-C4'-P energy: -42.268 tors. eta vs tors. theta energy: -46.483 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: 7 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -513.263919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.263919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.263919 (E_RNA) where: Base-Base interactions energy: -261.060 where: short stacking energy: -170.869 Base-Backbone interact. energy: 0.994 local terms energy: -253.197862 where: bonds (distance) C4'-P energy: -62.438 bonds (distance) P-C4' energy: -78.433 flat angles C4'-P-C4' energy: -65.332 flat angles P-C4'-P energy: -34.193 tors. eta vs tors. theta energy: -12.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -507.443642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.443642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.443642 (E_RNA) where: Base-Base interactions energy: -228.462 where: short stacking energy: -128.304 Base-Backbone interact. energy: 2.498 local terms energy: -281.479342 where: bonds (distance) C4'-P energy: -72.851 bonds (distance) P-C4' energy: -83.513 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -4.760 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: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -355.568045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.568045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.568045 (E_RNA) where: Base-Base interactions energy: -135.839 where: short stacking energy: -100.849 Base-Backbone interact. energy: -0.852 local terms energy: -218.877575 where: bonds (distance) C4'-P energy: -49.194 bonds (distance) P-C4' energy: -65.002 flat angles C4'-P-C4' energy: -55.544 flat angles P-C4'-P energy: -35.790 tors. eta vs tors. theta energy: -13.348 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: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -333.056460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.056460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.056460 (E_RNA) where: Base-Base interactions energy: -118.431 where: short stacking energy: -84.424 Base-Backbone interact. energy: 0.097 local terms energy: -214.722973 where: bonds (distance) C4'-P energy: -64.869 bonds (distance) P-C4' energy: -70.524 flat angles C4'-P-C4' energy: -50.985 flat angles P-C4'-P energy: -49.458 tors. eta vs tors. theta energy: 21.113 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: 6 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1311.936061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.936061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.936061 (E_RNA) where: Base-Base interactions energy: -901.881 where: short stacking energy: -378.700 Base-Backbone interact. energy: -1.682 local terms energy: -408.373286 where: bonds (distance) C4'-P energy: -75.337 bonds (distance) P-C4' energy: -77.841 flat angles C4'-P-C4' energy: -90.881 flat angles P-C4'-P energy: -48.256 tors. eta vs tors. theta energy: -116.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1220.290648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.290648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.290648 (E_RNA) where: Base-Base interactions energy: -781.979 where: short stacking energy: -363.173 Base-Backbone interact. energy: -1.346 local terms energy: -436.965358 where: bonds (distance) C4'-P energy: -82.372 bonds (distance) P-C4' energy: -82.809 flat angles C4'-P-C4' energy: -93.223 flat angles P-C4'-P energy: -62.675 tors. eta vs tors. theta energy: -115.887 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: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1085.157199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.157199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.157199 (E_RNA) where: Base-Base interactions energy: -723.351 where: short stacking energy: -325.364 Base-Backbone interact. energy: -0.174 local terms energy: -361.631448 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -79.425 flat angles C4'-P-C4' energy: -78.378 flat angles P-C4'-P energy: -42.347 tors. eta vs tors. theta energy: -92.151 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: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1112.117286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.117286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.117286 (E_RNA) where: Base-Base interactions energy: -749.413 where: short stacking energy: -315.495 Base-Backbone interact. energy: 6.208 local terms energy: -368.912392 where: bonds (distance) C4'-P energy: -72.270 bonds (distance) P-C4' energy: -64.460 flat angles C4'-P-C4' energy: -81.747 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -98.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -984.494790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.494790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.494790 (E_RNA) where: Base-Base interactions energy: -650.780 where: short stacking energy: -288.606 Base-Backbone interact. energy: -0.859 local terms energy: -332.855330 where: bonds (distance) C4'-P energy: -61.072 bonds (distance) P-C4' energy: -83.809 flat angles C4'-P-C4' energy: -74.116 flat angles P-C4'-P energy: -45.240 tors. eta vs tors. theta energy: -68.618 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: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -740.594293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.594293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.594293 (E_RNA) where: Base-Base interactions energy: -441.519 where: short stacking energy: -210.070 Base-Backbone interact. energy: -1.475 local terms energy: -297.600474 where: bonds (distance) C4'-P energy: -71.072 bonds (distance) P-C4' energy: -79.063 flat angles C4'-P-C4' energy: -64.314 flat angles P-C4'-P energy: -39.317 tors. eta vs tors. theta energy: -43.835 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: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -593.916974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.916974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.916974 (E_RNA) where: Base-Base interactions energy: -336.316 where: short stacking energy: -161.203 Base-Backbone interact. energy: 2.532 local terms energy: -260.132924 where: bonds (distance) C4'-P energy: -66.969 bonds (distance) P-C4' energy: -73.063 flat angles C4'-P-C4' energy: -75.918 flat angles P-C4'-P energy: -23.307 tors. eta vs tors. theta energy: -20.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -490.995634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.995634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.995634 (E_RNA) where: Base-Base interactions energy: -250.146 where: short stacking energy: -153.473 Base-Backbone interact. energy: 0.891 local terms energy: -241.741487 where: bonds (distance) C4'-P energy: -50.398 bonds (distance) P-C4' energy: -86.349 flat angles C4'-P-C4' energy: -58.071 flat angles P-C4'-P energy: -30.498 tors. eta vs tors. theta energy: -16.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -359.753208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.753208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.753208 (E_RNA) where: Base-Base interactions energy: -135.668 where: short stacking energy: -88.606 Base-Backbone interact. energy: -0.558 local terms energy: -223.527160 where: bonds (distance) C4'-P energy: -56.777 bonds (distance) P-C4' energy: -79.300 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -32.547 tors. eta vs tors. theta energy: 6.550 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: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -293.584474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.584474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.584474 (E_RNA) where: Base-Base interactions energy: -97.620 where: short stacking energy: -82.948 Base-Backbone interact. energy: -1.264 local terms energy: -194.700573 where: bonds (distance) C4'-P energy: -66.781 bonds (distance) P-C4' energy: -58.718 flat angles C4'-P-C4' energy: -50.104 flat angles P-C4'-P energy: -33.980 tors. eta vs tors. theta energy: 14.883 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: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1309.235734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.235734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.235734 (E_RNA) where: Base-Base interactions energy: -886.562 where: short stacking energy: -390.460 Base-Backbone interact. energy: -1.134 local terms energy: -421.539647 where: bonds (distance) C4'-P energy: -83.258 bonds (distance) P-C4' energy: -82.263 flat angles C4'-P-C4' energy: -85.401 flat angles P-C4'-P energy: -55.784 tors. eta vs tors. theta energy: -114.833 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: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1225.665028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.665028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.665028 (E_RNA) where: Base-Base interactions energy: -802.642 where: short stacking energy: -363.500 Base-Backbone interact. energy: 0.792 local terms energy: -423.815232 where: bonds (distance) C4'-P energy: -77.868 bonds (distance) P-C4' energy: -81.911 flat angles C4'-P-C4' energy: -94.033 flat angles P-C4'-P energy: -59.665 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1110.908076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.908076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.908076 (E_RNA) where: Base-Base interactions energy: -727.860 where: short stacking energy: -306.070 Base-Backbone interact. energy: 1.322 local terms energy: -384.369474 where: bonds (distance) C4'-P energy: -70.152 bonds (distance) P-C4' energy: -79.802 flat angles C4'-P-C4' energy: -79.279 flat angles P-C4'-P energy: -60.586 tors. eta vs tors. theta energy: -94.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1144.909696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.909696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.909696 (E_RNA) where: Base-Base interactions energy: -758.333 where: short stacking energy: -346.982 Base-Backbone interact. energy: 1.254 local terms energy: -387.830375 where: bonds (distance) C4'-P energy: -79.492 bonds (distance) P-C4' energy: -75.915 flat angles C4'-P-C4' energy: -89.547 flat angles P-C4'-P energy: -42.988 tors. eta vs tors. theta energy: -99.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -981.415093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.415093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.415093 (E_RNA) where: Base-Base interactions energy: -621.936 where: short stacking energy: -289.723 Base-Backbone interact. energy: -2.698 local terms energy: -356.781029 where: bonds (distance) C4'-P energy: -79.175 bonds (distance) P-C4' energy: -71.417 flat angles C4'-P-C4' energy: -81.671 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -73.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -775.118389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.118389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.118389 (E_RNA) where: Base-Base interactions energy: -504.514 where: short stacking energy: -209.253 Base-Backbone interact. energy: -1.622 local terms energy: -268.983040 where: bonds (distance) C4'-P energy: -56.298 bonds (distance) P-C4' energy: -69.385 flat angles C4'-P-C4' energy: -64.303 flat angles P-C4'-P energy: -39.609 tors. eta vs tors. theta energy: -39.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -591.798413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.798413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.798413 (E_RNA) where: Base-Base interactions energy: -331.303 where: short stacking energy: -164.608 Base-Backbone interact. energy: 2.272 local terms energy: -262.766835 where: bonds (distance) C4'-P energy: -57.601 bonds (distance) P-C4' energy: -83.735 flat angles C4'-P-C4' energy: -62.252 flat angles P-C4'-P energy: -32.673 tors. eta vs tors. theta energy: -26.506 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: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -487.243532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.243532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.243532 (E_RNA) where: Base-Base interactions energy: -250.113 where: short stacking energy: -160.603 Base-Backbone interact. energy: -1.474 local terms energy: -235.656147 where: bonds (distance) C4'-P energy: -67.527 bonds (distance) P-C4' energy: -63.446 flat angles C4'-P-C4' energy: -61.547 flat angles P-C4'-P energy: -14.741 tors. eta vs tors. theta energy: -28.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -338.468045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.468045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.468045 (E_RNA) where: Base-Base interactions energy: -131.587 where: short stacking energy: -117.393 Base-Backbone interact. energy: 0.173 local terms energy: -207.054049 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -70.562 flat angles C4'-P-C4' energy: -59.805 flat angles P-C4'-P energy: -29.477 tors. eta vs tors. theta energy: 14.648 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: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -316.053922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.053922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.053922 (E_RNA) where: Base-Base interactions energy: -95.812 where: short stacking energy: -76.910 Base-Backbone interact. energy: -3.254 local terms energy: -216.987652 where: bonds (distance) C4'-P energy: -66.511 bonds (distance) P-C4' energy: -64.399 flat angles C4'-P-C4' energy: -56.238 flat angles P-C4'-P energy: -39.194 tors. eta vs tors. theta energy: 9.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1326.871977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.871977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.871977 (E_RNA) where: Base-Base interactions energy: -893.516 where: short stacking energy: -369.343 Base-Backbone interact. energy: 0.049 local terms energy: -433.404445 where: bonds (distance) C4'-P energy: -78.110 bonds (distance) P-C4' energy: -88.688 flat angles C4'-P-C4' energy: -92.262 flat angles P-C4'-P energy: -51.680 tors. eta vs tors. theta energy: -122.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1231.832296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.832296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.832296 (E_RNA) where: Base-Base interactions energy: -818.470 where: short stacking energy: -354.342 Base-Backbone interact. energy: 0.193 local terms energy: -413.555410 where: bonds (distance) C4'-P energy: -75.755 bonds (distance) P-C4' energy: -80.518 flat angles C4'-P-C4' energy: -84.742 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -112.011 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: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1156.952987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.952987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.952987 (E_RNA) where: Base-Base interactions energy: -764.376 where: short stacking energy: -329.519 Base-Backbone interact. energy: -4.542 local terms energy: -388.034266 where: bonds (distance) C4'-P energy: -65.627 bonds (distance) P-C4' energy: -85.765 flat angles C4'-P-C4' energy: -77.445 flat angles P-C4'-P energy: -54.392 tors. eta vs tors. theta energy: -104.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1084.019681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.019681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.019681 (E_RNA) where: Base-Base interactions energy: -711.666 where: short stacking energy: -288.659 Base-Backbone interact. energy: -1.910 local terms energy: -370.444008 where: bonds (distance) C4'-P energy: -72.740 bonds (distance) P-C4' energy: -75.950 flat angles C4'-P-C4' energy: -84.422 flat angles P-C4'-P energy: -51.966 tors. eta vs tors. theta energy: -85.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -963.394623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.394623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.394623 (E_RNA) where: Base-Base interactions energy: -608.568 where: short stacking energy: -258.977 Base-Backbone interact. energy: -1.049 local terms energy: -353.778399 where: bonds (distance) C4'-P energy: -78.489 bonds (distance) P-C4' energy: -73.075 flat angles C4'-P-C4' energy: -75.362 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -82.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -793.679396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.679396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.679396 (E_RNA) where: Base-Base interactions energy: -481.142 where: short stacking energy: -218.717 Base-Backbone interact. energy: -2.300 local terms energy: -310.237595 where: bonds (distance) C4'-P energy: -64.987 bonds (distance) P-C4' energy: -77.649 flat angles C4'-P-C4' energy: -82.525 flat angles P-C4'-P energy: -46.209 tors. eta vs tors. theta energy: -38.868 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: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -627.984440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.984440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.984440 (E_RNA) where: Base-Base interactions energy: -344.164 where: short stacking energy: -185.556 Base-Backbone interact. energy: -1.387 local terms energy: -282.433069 where: bonds (distance) C4'-P energy: -65.059 bonds (distance) P-C4' energy: -67.461 flat angles C4'-P-C4' energy: -68.250 flat angles P-C4'-P energy: -43.742 tors. eta vs tors. theta energy: -37.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -506.483659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.483659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.483659 (E_RNA) where: Base-Base interactions energy: -264.908 where: short stacking energy: -135.752 Base-Backbone interact. energy: 2.032 local terms energy: -243.607535 where: bonds (distance) C4'-P energy: -72.415 bonds (distance) P-C4' energy: -65.885 flat angles C4'-P-C4' energy: -63.076 flat angles P-C4'-P energy: -35.769 tors. eta vs tors. theta energy: -6.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -428.093345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.093345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.093345 (E_RNA) where: Base-Base interactions energy: -184.694 where: short stacking energy: -124.919 Base-Backbone interact. energy: 0.791 local terms energy: -244.190401 where: bonds (distance) C4'-P energy: -71.980 bonds (distance) P-C4' energy: -75.312 flat angles C4'-P-C4' energy: -53.767 flat angles P-C4'-P energy: -31.086 tors. eta vs tors. theta energy: -12.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -303.385092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.385092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.385092 (E_RNA) where: Base-Base interactions energy: -90.871 where: short stacking energy: -73.067 Base-Backbone interact. energy: 0.139 local terms energy: -212.652942 where: bonds (distance) C4'-P energy: -65.456 bonds (distance) P-C4' energy: -68.108 flat angles C4'-P-C4' energy: -57.259 flat angles P-C4'-P energy: -35.852 tors. eta vs tors. theta energy: 14.023 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: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1335.517550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.517550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.517550 (E_RNA) where: Base-Base interactions energy: -913.143 where: short stacking energy: -379.247 Base-Backbone interact. energy: -1.249 local terms energy: -421.125026 where: bonds (distance) C4'-P energy: -76.249 bonds (distance) P-C4' energy: -72.232 flat angles C4'-P-C4' energy: -99.368 flat angles P-C4'-P energy: -62.819 tors. eta vs tors. theta energy: -110.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1203.783872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.783872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.783872 (E_RNA) where: Base-Base interactions energy: -823.721 where: short stacking energy: -328.419 Base-Backbone interact. energy: -0.810 local terms energy: -379.252896 where: bonds (distance) C4'-P energy: -75.733 bonds (distance) P-C4' energy: -78.917 flat angles C4'-P-C4' energy: -79.846 flat angles P-C4'-P energy: -51.156 tors. eta vs tors. theta energy: -93.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1208.764394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.764394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.764394 (E_RNA) where: Base-Base interactions energy: -781.348 where: short stacking energy: -332.845 Base-Backbone interact. energy: -2.413 local terms energy: -425.003489 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -88.187 flat angles C4'-P-C4' energy: -89.520 flat angles P-C4'-P energy: -62.266 tors. eta vs tors. theta energy: -103.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1061.690584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.690584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.690584 (E_RNA) where: Base-Base interactions energy: -698.781 where: short stacking energy: -313.394 Base-Backbone interact. energy: 0.509 local terms energy: -363.418798 where: bonds (distance) C4'-P energy: -67.173 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -83.542 flat angles P-C4'-P energy: -57.529 tors. eta vs tors. theta energy: -87.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -927.790773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.790773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.790773 (E_RNA) where: Base-Base interactions energy: -580.588 where: short stacking energy: -273.220 Base-Backbone interact. energy: -2.730 local terms energy: -344.472565 where: bonds (distance) C4'-P energy: -77.400 bonds (distance) P-C4' energy: -75.253 flat angles C4'-P-C4' energy: -81.682 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: -60.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -801.817690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.817690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.817690 (E_RNA) where: Base-Base interactions energy: -482.019 where: short stacking energy: -220.417 Base-Backbone interact. energy: 2.560 local terms energy: -322.359029 where: bonds (distance) C4'-P energy: -66.977 bonds (distance) P-C4' energy: -83.258 flat angles C4'-P-C4' energy: -78.206 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -45.602 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: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -568.715362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.715362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.715362 (E_RNA) where: Base-Base interactions energy: -290.807 where: short stacking energy: -164.624 Base-Backbone interact. energy: -0.729 local terms energy: -277.178988 where: bonds (distance) C4'-P energy: -54.940 bonds (distance) P-C4' energy: -76.763 flat angles C4'-P-C4' energy: -68.330 flat angles P-C4'-P energy: -44.311 tors. eta vs tors. theta energy: -32.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -524.985278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.985278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.985278 (E_RNA) where: Base-Base interactions energy: -266.845 where: short stacking energy: -153.404 Base-Backbone interact. energy: -2.098 local terms energy: -256.041843 where: bonds (distance) C4'-P energy: -73.369 bonds (distance) P-C4' energy: -67.289 flat angles C4'-P-C4' energy: -64.525 flat angles P-C4'-P energy: -33.258 tors. eta vs tors. theta energy: -17.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -425.984074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.984074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.984074 (E_RNA) where: Base-Base interactions energy: -190.225 where: short stacking energy: -99.590 Base-Backbone interact. energy: -2.167 local terms energy: -233.592489 where: bonds (distance) C4'-P energy: -64.895 bonds (distance) P-C4' energy: -61.115 flat angles C4'-P-C4' energy: -69.667 flat angles P-C4'-P energy: -40.603 tors. eta vs tors. theta energy: 2.688 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: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -348.664095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.664095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.664095 (E_RNA) where: Base-Base interactions energy: -117.218 where: short stacking energy: -105.843 Base-Backbone interact. energy: 3.194 local terms energy: -234.640583 where: bonds (distance) C4'-P energy: -42.432 bonds (distance) P-C4' energy: -74.888 flat angles C4'-P-C4' energy: -68.748 flat angles P-C4'-P energy: -40.819 tors. eta vs tors. theta energy: -7.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1310.472292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.472292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.472292 (E_RNA) where: Base-Base interactions energy: -901.475 where: short stacking energy: -365.894 Base-Backbone interact. energy: -0.308 local terms energy: -408.689670 where: bonds (distance) C4'-P energy: -73.513 bonds (distance) P-C4' energy: -83.191 flat angles C4'-P-C4' energy: -90.483 flat angles P-C4'-P energy: -46.899 tors. eta vs tors. theta energy: -114.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1216.416241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.416241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.416241 (E_RNA) where: Base-Base interactions energy: -817.013 where: short stacking energy: -342.782 Base-Backbone interact. energy: -3.237 local terms energy: -396.165863 where: bonds (distance) C4'-P energy: -76.908 bonds (distance) P-C4' energy: -77.497 flat angles C4'-P-C4' energy: -84.393 flat angles P-C4'-P energy: -56.342 tors. eta vs tors. theta energy: -101.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1159.034215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.034215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.034215 (E_RNA) where: Base-Base interactions energy: -756.948 where: short stacking energy: -344.515 Base-Backbone interact. energy: -2.365 local terms energy: -399.721321 where: bonds (distance) C4'-P energy: -69.905 bonds (distance) P-C4' energy: -78.624 flat angles C4'-P-C4' energy: -86.840 flat angles P-C4'-P energy: -57.157 tors. eta vs tors. theta energy: -107.195 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: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1076.892524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.892524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.892524 (E_RNA) where: Base-Base interactions energy: -699.427 where: short stacking energy: -304.313 Base-Backbone interact. energy: -2.862 local terms energy: -374.603563 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -78.707 flat angles C4'-P-C4' energy: -82.546 flat angles P-C4'-P energy: -57.289 tors. eta vs tors. theta energy: -89.562 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: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -891.746423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.746423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.746423 (E_RNA) where: Base-Base interactions energy: -552.546 where: short stacking energy: -254.250 Base-Backbone interact. energy: -1.491 local terms energy: -337.709225 where: bonds (distance) C4'-P energy: -60.609 bonds (distance) P-C4' energy: -70.550 flat angles C4'-P-C4' energy: -75.174 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -79.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -781.325597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.325597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.325597 (E_RNA) where: Base-Base interactions energy: -462.430 where: short stacking energy: -216.429 Base-Backbone interact. energy: -1.674 local terms energy: -317.222125 where: bonds (distance) C4'-P energy: -74.628 bonds (distance) P-C4' energy: -71.372 flat angles C4'-P-C4' energy: -80.935 flat angles P-C4'-P energy: -43.679 tors. eta vs tors. theta energy: -46.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -563.031526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.031526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.031526 (E_RNA) where: Base-Base interactions energy: -300.621 where: short stacking energy: -188.916 Base-Backbone interact. energy: -2.646 local terms energy: -259.765057 where: bonds (distance) C4'-P energy: -65.350 bonds (distance) P-C4' energy: -78.303 flat angles C4'-P-C4' energy: -64.942 flat angles P-C4'-P energy: -30.377 tors. eta vs tors. theta energy: -20.793 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: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -495.191316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.191316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.191316 (E_RNA) where: Base-Base interactions energy: -274.104 where: short stacking energy: -147.799 Base-Backbone interact. energy: 1.761 local terms energy: -222.848357 where: bonds (distance) C4'-P energy: -61.569 bonds (distance) P-C4' energy: -50.190 flat angles C4'-P-C4' energy: -57.560 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -16.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -403.198865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.198865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.198865 (E_RNA) where: Base-Base interactions energy: -181.139 where: short stacking energy: -113.876 Base-Backbone interact. energy: -3.479 local terms energy: -218.581035 where: bonds (distance) C4'-P energy: -80.167 bonds (distance) P-C4' energy: -57.628 flat angles C4'-P-C4' energy: -58.730 flat angles P-C4'-P energy: -28.993 tors. eta vs tors. theta energy: 6.936 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: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -296.393299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.393299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.393299 (E_RNA) where: Base-Base interactions energy: -83.941 where: short stacking energy: -57.530 Base-Backbone interact. energy: -2.180 local terms energy: -210.272561 where: bonds (distance) C4'-P energy: -62.714 bonds (distance) P-C4' energy: -70.052 flat angles C4'-P-C4' energy: -54.957 flat angles P-C4'-P energy: -33.496 tors. eta vs tors. theta energy: 10.946 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: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1337.069252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.069252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.069252 (E_RNA) where: Base-Base interactions energy: -901.254 where: short stacking energy: -363.088 Base-Backbone interact. energy: -1.076 local terms energy: -434.739392 where: bonds (distance) C4'-P energy: -82.544 bonds (distance) P-C4' energy: -91.496 flat angles C4'-P-C4' energy: -89.913 flat angles P-C4'-P energy: -57.085 tors. eta vs tors. theta energy: -113.701 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: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1234.724822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.724822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.724822 (E_RNA) where: Base-Base interactions energy: -819.296 where: short stacking energy: -354.778 Base-Backbone interact. energy: -0.237 local terms energy: -415.191004 where: bonds (distance) C4'-P energy: -72.041 bonds (distance) P-C4' energy: -79.814 flat angles C4'-P-C4' energy: -89.946 flat angles P-C4'-P energy: -58.320 tors. eta vs tors. theta energy: -115.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1175.776999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.776999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.776999 (E_RNA) where: Base-Base interactions energy: -791.849 where: short stacking energy: -347.026 Base-Backbone interact. energy: -0.260 local terms energy: -383.668065 where: bonds (distance) C4'-P energy: -74.691 bonds (distance) P-C4' energy: -78.119 flat angles C4'-P-C4' energy: -79.747 flat angles P-C4'-P energy: -54.891 tors. eta vs tors. theta energy: -96.220 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: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1075.274693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.274693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.274693 (E_RNA) where: Base-Base interactions energy: -700.474 where: short stacking energy: -309.410 Base-Backbone interact. energy: -0.435 local terms energy: -374.365996 where: bonds (distance) C4'-P energy: -82.665 bonds (distance) P-C4' energy: -80.914 flat angles C4'-P-C4' energy: -62.177 flat angles P-C4'-P energy: -62.249 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: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -927.808704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.808704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.808704 (E_RNA) where: Base-Base interactions energy: -591.203 where: short stacking energy: -275.599 Base-Backbone interact. energy: 2.116 local terms energy: -338.722065 where: bonds (distance) C4'-P energy: -71.865 bonds (distance) P-C4' energy: -78.618 flat angles C4'-P-C4' energy: -67.884 flat angles P-C4'-P energy: -55.874 tors. eta vs tors. theta energy: -64.482 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: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -795.933462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.933462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.933462 (E_RNA) where: Base-Base interactions energy: -495.883 where: short stacking energy: -243.155 Base-Backbone interact. energy: -1.800 local terms energy: -298.250474 where: bonds (distance) C4'-P energy: -60.640 bonds (distance) P-C4' energy: -74.948 flat angles C4'-P-C4' energy: -72.360 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -47.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -583.349616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.349616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.349616 (E_RNA) where: Base-Base interactions energy: -343.272 where: short stacking energy: -164.893 Base-Backbone interact. energy: 1.138 local terms energy: -241.215638 where: bonds (distance) C4'-P energy: -53.147 bonds (distance) P-C4' energy: -69.426 flat angles C4'-P-C4' energy: -62.025 flat angles P-C4'-P energy: -42.014 tors. eta vs tors. theta energy: -14.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -490.659594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.659594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.659594 (E_RNA) where: Base-Base interactions energy: -244.155 where: short stacking energy: -150.877 Base-Backbone interact. energy: -0.529 local terms energy: -245.974937 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -75.001 flat angles C4'-P-C4' energy: -66.988 flat angles P-C4'-P energy: -27.292 tors. eta vs tors. theta energy: -16.997 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: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -418.337535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.337535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.337535 (E_RNA) where: Base-Base interactions energy: -196.178 where: short stacking energy: -124.861 Base-Backbone interact. energy: 0.463 local terms energy: -222.622164 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -67.251 flat angles C4'-P-C4' energy: -68.467 flat angles P-C4'-P energy: -33.918 tors. eta vs tors. theta energy: 5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -331.566938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.566938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.566938 (E_RNA) where: Base-Base interactions energy: -133.371 where: short stacking energy: -88.705 Base-Backbone interact. energy: -0.125 local terms energy: -198.070467 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -78.642 flat angles C4'-P-C4' energy: -48.138 flat angles P-C4'-P energy: -24.204 tors. eta vs tors. theta energy: 15.229 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: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1326.847156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.847156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.847156 (E_RNA) where: Base-Base interactions energy: -919.454 where: short stacking energy: -385.694 Base-Backbone interact. energy: -1.699 local terms energy: -405.694292 where: bonds (distance) C4'-P energy: -85.504 bonds (distance) P-C4' energy: -75.444 flat angles C4'-P-C4' energy: -77.123 flat angles P-C4'-P energy: -54.123 tors. eta vs tors. theta energy: -113.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1241.534775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.534775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.534775 (E_RNA) where: Base-Base interactions energy: -828.806 where: short stacking energy: -377.342 Base-Backbone interact. energy: 1.331 local terms energy: -414.060314 where: bonds (distance) C4'-P energy: -71.207 bonds (distance) P-C4' energy: -81.673 flat angles C4'-P-C4' energy: -90.571 flat angles P-C4'-P energy: -58.440 tors. eta vs tors. theta energy: -112.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1155.247562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.247562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.247562 (E_RNA) where: Base-Base interactions energy: -779.644 where: short stacking energy: -333.144 Base-Backbone interact. energy: 0.164 local terms energy: -375.767455 where: bonds (distance) C4'-P energy: -68.118 bonds (distance) P-C4' energy: -74.742 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -45.274 tors. eta vs tors. theta energy: -99.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1065.618519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.618519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.618519 (E_RNA) where: Base-Base interactions energy: -683.142 where: short stacking energy: -298.728 Base-Backbone interact. energy: -1.954 local terms energy: -380.522497 where: bonds (distance) C4'-P energy: -75.946 bonds (distance) P-C4' energy: -74.500 flat angles C4'-P-C4' energy: -74.031 flat angles P-C4'-P energy: -64.782 tors. eta vs tors. theta energy: -91.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -981.424930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.424930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.424930 (E_RNA) where: Base-Base interactions energy: -649.139 where: short stacking energy: -298.784 Base-Backbone interact. energy: -0.108 local terms energy: -332.178625 where: bonds (distance) C4'-P energy: -47.970 bonds (distance) P-C4' energy: -73.932 flat angles C4'-P-C4' energy: -70.264 flat angles P-C4'-P energy: -44.681 tors. eta vs tors. theta energy: -95.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -762.918148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.918148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.918148 (E_RNA) where: Base-Base interactions energy: -461.977 where: short stacking energy: -226.235 Base-Backbone interact. energy: 0.807 local terms energy: -301.747675 where: bonds (distance) C4'-P energy: -64.247 bonds (distance) P-C4' energy: -62.965 flat angles C4'-P-C4' energy: -78.646 flat angles P-C4'-P energy: -42.134 tors. eta vs tors. theta energy: -53.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -556.978526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.978526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.978526 (E_RNA) where: Base-Base interactions energy: -299.798 where: short stacking energy: -148.305 Base-Backbone interact. energy: -1.939 local terms energy: -255.242053 where: bonds (distance) C4'-P energy: -63.759 bonds (distance) P-C4' energy: -69.158 flat angles C4'-P-C4' energy: -66.835 flat angles P-C4'-P energy: -43.861 tors. eta vs tors. theta energy: -11.629 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: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -477.078786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.078786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.078786 (E_RNA) where: Base-Base interactions energy: -221.006 where: short stacking energy: -115.480 Base-Backbone interact. energy: -1.374 local terms energy: -254.698687 where: bonds (distance) C4'-P energy: -65.371 bonds (distance) P-C4' energy: -71.530 flat angles C4'-P-C4' energy: -62.040 flat angles P-C4'-P energy: -52.667 tors. eta vs tors. theta energy: -3.089 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: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -405.177332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.177332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.177332 (E_RNA) where: Base-Base interactions energy: -181.504 where: short stacking energy: -121.929 Base-Backbone interact. energy: 2.415 local terms energy: -226.088474 where: bonds (distance) C4'-P energy: -65.434 bonds (distance) P-C4' energy: -76.934 flat angles C4'-P-C4' energy: -62.925 flat angles P-C4'-P energy: -26.605 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: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -335.186053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.186053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.186053 (E_RNA) where: Base-Base interactions energy: -104.921 where: short stacking energy: -80.799 Base-Backbone interact. energy: 0.944 local terms energy: -231.209465 where: bonds (distance) C4'-P energy: -68.929 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -68.287 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: 6.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1336.527124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.527124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.527124 (E_RNA) where: Base-Base interactions energy: -938.931 where: short stacking energy: -375.884 Base-Backbone interact. energy: 4.904 local terms energy: -402.499374 where: bonds (distance) C4'-P energy: -70.140 bonds (distance) P-C4' energy: -78.572 flat angles C4'-P-C4' energy: -86.652 flat angles P-C4'-P energy: -58.635 tors. eta vs tors. theta energy: -108.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1174.614490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.614490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.614490 (E_RNA) where: Base-Base interactions energy: -775.120 where: short stacking energy: -343.550 Base-Backbone interact. energy: -0.312 local terms energy: -399.182661 where: bonds (distance) C4'-P energy: -82.498 bonds (distance) P-C4' energy: -84.357 flat angles C4'-P-C4' energy: -81.675 flat angles P-C4'-P energy: -49.742 tors. eta vs tors. theta energy: -100.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1221.823623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.823623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.823623 (E_RNA) where: Base-Base interactions energy: -819.895 where: short stacking energy: -368.421 Base-Backbone interact. energy: -0.399 local terms energy: -401.529161 where: bonds (distance) C4'-P energy: -71.274 bonds (distance) P-C4' energy: -67.985 flat angles C4'-P-C4' energy: -87.108 flat angles P-C4'-P energy: -63.472 tors. eta vs tors. theta energy: -111.690 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: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1083.941342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.941342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.941342 (E_RNA) where: Base-Base interactions energy: -705.749 where: short stacking energy: -288.633 Base-Backbone interact. energy: -0.783 local terms energy: -377.408927 where: bonds (distance) C4'-P energy: -74.765 bonds (distance) P-C4' energy: -75.077 flat angles C4'-P-C4' energy: -83.891 flat angles P-C4'-P energy: -50.178 tors. eta vs tors. theta energy: -93.498 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: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1016.762305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.762305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.762305 (E_RNA) where: Base-Base interactions energy: -672.022 where: short stacking energy: -267.118 Base-Backbone interact. energy: -1.569 local terms energy: -343.170759 where: bonds (distance) C4'-P energy: -76.889 bonds (distance) P-C4' energy: -67.243 flat angles C4'-P-C4' energy: -71.701 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -74.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -836.725253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.725253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.725253 (E_RNA) where: Base-Base interactions energy: -498.114 where: short stacking energy: -234.793 Base-Backbone interact. energy: 0.649 local terms energy: -339.260800 where: bonds (distance) C4'-P energy: -70.116 bonds (distance) P-C4' energy: -76.436 flat angles C4'-P-C4' energy: -80.996 flat angles P-C4'-P energy: -43.857 tors. eta vs tors. theta energy: -67.856 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: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -573.219665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.219665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.219665 (E_RNA) where: Base-Base interactions energy: -289.796 where: short stacking energy: -177.759 Base-Backbone interact. energy: 2.786 local terms energy: -286.209983 where: bonds (distance) C4'-P energy: -64.410 bonds (distance) P-C4' energy: -74.660 flat angles C4'-P-C4' energy: -74.761 flat angles P-C4'-P energy: -38.070 tors. eta vs tors. theta energy: -34.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -464.223063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.223063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.223063 (E_RNA) where: Base-Base interactions energy: -220.589 where: short stacking energy: -123.265 Base-Backbone interact. energy: 1.084 local terms energy: -244.718235 where: bonds (distance) C4'-P energy: -74.884 bonds (distance) P-C4' energy: -70.118 flat angles C4'-P-C4' energy: -62.531 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: 2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -416.163422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.163422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.163422 (E_RNA) where: Base-Base interactions energy: -189.816 where: short stacking energy: -115.993 Base-Backbone interact. energy: 0.467 local terms energy: -226.814064 where: bonds (distance) C4'-P energy: -67.431 bonds (distance) P-C4' energy: -72.642 flat angles C4'-P-C4' energy: -59.535 flat angles P-C4'-P energy: -28.839 tors. eta vs tors. theta energy: 1.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -330.588318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.588318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.588318 (E_RNA) where: Base-Base interactions energy: -116.567 where: short stacking energy: -76.262 Base-Backbone interact. energy: 0.290 local terms energy: -214.311638 where: bonds (distance) C4'-P energy: -72.892 bonds (distance) P-C4' energy: -81.364 flat angles C4'-P-C4' energy: -58.388 flat angles P-C4'-P energy: -32.439 tors. eta vs tors. theta energy: 30.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1313.218398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.218398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.218398 (E_RNA) where: Base-Base interactions energy: -911.897 where: short stacking energy: -374.449 Base-Backbone interact. energy: 0.661 local terms energy: -401.982542 where: bonds (distance) C4'-P energy: -80.160 bonds (distance) P-C4' energy: -73.597 flat angles C4'-P-C4' energy: -84.196 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: -110.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1182.452588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.452588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.452588 (E_RNA) where: Base-Base interactions energy: -789.750 where: short stacking energy: -345.624 Base-Backbone interact. energy: 0.242 local terms energy: -392.944422 where: bonds (distance) C4'-P energy: -68.969 bonds (distance) P-C4' energy: -79.528 flat angles C4'-P-C4' energy: -87.907 flat angles P-C4'-P energy: -62.824 tors. eta vs tors. theta energy: -93.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1209.364590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.364590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.364590 (E_RNA) where: Base-Base interactions energy: -800.514 where: short stacking energy: -350.524 Base-Backbone interact. energy: 1.663 local terms energy: -410.512928 where: bonds (distance) C4'-P energy: -65.208 bonds (distance) P-C4' energy: -77.879 flat angles C4'-P-C4' energy: -88.571 flat angles P-C4'-P energy: -63.511 tors. eta vs tors. theta energy: -115.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1057.347162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.347162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.347162 (E_RNA) where: Base-Base interactions energy: -699.721 where: short stacking energy: -323.447 Base-Backbone interact. energy: -2.339 local terms energy: -355.287593 where: bonds (distance) C4'-P energy: -71.659 bonds (distance) P-C4' energy: -72.766 flat angles C4'-P-C4' energy: -77.344 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -73.820 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: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1034.903559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.903559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.903559 (E_RNA) where: Base-Base interactions energy: -665.021 where: short stacking energy: -288.246 Base-Backbone interact. energy: -0.116 local terms energy: -369.766502 where: bonds (distance) C4'-P energy: -79.566 bonds (distance) P-C4' energy: -74.435 flat angles C4'-P-C4' energy: -82.068 flat angles P-C4'-P energy: -42.995 tors. eta vs tors. theta energy: -90.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -803.079883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.079883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.079883 (E_RNA) where: Base-Base interactions energy: -503.403 where: short stacking energy: -230.922 Base-Backbone interact. energy: 0.802 local terms energy: -300.478752 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -63.275 flat angles C4'-P-C4' energy: -74.730 flat angles P-C4'-P energy: -42.434 tors. eta vs tors. theta energy: -59.981 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: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -521.742942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.742942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.742942 (E_RNA) where: Base-Base interactions energy: -273.999 where: short stacking energy: -158.043 Base-Backbone interact. energy: -0.463 local terms energy: -247.281801 where: bonds (distance) C4'-P energy: -53.508 bonds (distance) P-C4' energy: -78.370 flat angles C4'-P-C4' energy: -63.925 flat angles P-C4'-P energy: -39.317 tors. eta vs tors. theta energy: -12.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -476.497364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.497364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.497364 (E_RNA) where: Base-Base interactions energy: -237.200 where: short stacking energy: -140.320 Base-Backbone interact. energy: -0.153 local terms energy: -239.144877 where: bonds (distance) C4'-P energy: -70.208 bonds (distance) P-C4' energy: -74.491 flat angles C4'-P-C4' energy: -39.732 flat angles P-C4'-P energy: -45.934 tors. eta vs tors. theta energy: -8.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -423.973714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.973714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.973714 (E_RNA) where: Base-Base interactions energy: -192.097 where: short stacking energy: -96.573 Base-Backbone interact. energy: -0.456 local terms energy: -231.421156 where: bonds (distance) C4'-P energy: -68.628 bonds (distance) P-C4' energy: -62.173 flat angles C4'-P-C4' energy: -59.340 flat angles P-C4'-P energy: -44.370 tors. eta vs tors. theta energy: 3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -307.750712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.750712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.750712 (E_RNA) where: Base-Base interactions energy: -108.181 where: short stacking energy: -80.540 Base-Backbone interact. energy: -2.149 local terms energy: -197.420639 where: bonds (distance) C4'-P energy: -53.213 bonds (distance) P-C4' energy: -71.050 flat angles C4'-P-C4' energy: -65.246 flat angles P-C4'-P energy: -28.389 tors. eta vs tors. theta energy: 20.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1319.419853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.419853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.419853 (E_RNA) where: Base-Base interactions energy: -911.786 where: short stacking energy: -371.621 Base-Backbone interact. energy: 0.778 local terms energy: -408.412051 where: bonds (distance) C4'-P energy: -76.667 bonds (distance) P-C4' energy: -86.280 flat angles C4'-P-C4' energy: -84.072 flat angles P-C4'-P energy: -54.546 tors. eta vs tors. theta energy: -106.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1226.814617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.814617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.814617 (E_RNA) where: Base-Base interactions energy: -812.377 where: short stacking energy: -350.890 Base-Backbone interact. energy: 1.502 local terms energy: -415.939534 where: bonds (distance) C4'-P energy: -79.998 bonds (distance) P-C4' energy: -79.553 flat angles C4'-P-C4' energy: -92.809 flat angles P-C4'-P energy: -50.477 tors. eta vs tors. theta energy: -113.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1135.544514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.544514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.544514 (E_RNA) where: Base-Base interactions energy: -735.603 where: short stacking energy: -316.748 Base-Backbone interact. energy: -2.302 local terms energy: -397.640021 where: bonds (distance) C4'-P energy: -75.802 bonds (distance) P-C4' energy: -78.473 flat angles C4'-P-C4' energy: -77.830 flat angles P-C4'-P energy: -67.692 tors. eta vs tors. theta energy: -97.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1072.037199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.037199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.037199 (E_RNA) where: Base-Base interactions energy: -694.293 where: short stacking energy: -322.281 Base-Backbone interact. energy: 2.478 local terms energy: -380.221975 where: bonds (distance) C4'-P energy: -69.720 bonds (distance) P-C4' energy: -74.360 flat angles C4'-P-C4' energy: -87.270 flat angles P-C4'-P energy: -59.237 tors. eta vs tors. theta energy: -89.634 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: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1013.788921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.788921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.788921 (E_RNA) where: Base-Base interactions energy: -660.029 where: short stacking energy: -276.575 Base-Backbone interact. energy: -1.798 local terms energy: -351.961068 where: bonds (distance) C4'-P energy: -75.957 bonds (distance) P-C4' energy: -66.624 flat angles C4'-P-C4' energy: -83.802 flat angles P-C4'-P energy: -52.675 tors. eta vs tors. theta energy: -72.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -737.130250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.130250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.130250 (E_RNA) where: Base-Base interactions energy: -421.619 where: short stacking energy: -219.716 Base-Backbone interact. energy: -1.109 local terms energy: -314.401884 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -82.758 flat angles C4'-P-C4' energy: -73.872 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -37.790 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: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -528.783322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.783322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.783322 (E_RNA) where: Base-Base interactions energy: -277.528 where: short stacking energy: -130.344 Base-Backbone interact. energy: 6.292 local terms energy: -257.547777 where: bonds (distance) C4'-P energy: -63.078 bonds (distance) P-C4' energy: -69.491 flat angles C4'-P-C4' energy: -64.261 flat angles P-C4'-P energy: -44.138 tors. eta vs tors. theta energy: -16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -455.973603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.973603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.973603 (E_RNA) where: Base-Base interactions energy: -204.548 where: short stacking energy: -122.040 Base-Backbone interact. energy: -1.736 local terms energy: -249.689830 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -64.383 flat angles C4'-P-C4' energy: -55.674 flat angles P-C4'-P energy: -53.754 tors. eta vs tors. theta energy: -11.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -422.875265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.875265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.875265 (E_RNA) where: Base-Base interactions energy: -202.687 where: short stacking energy: -99.921 Base-Backbone interact. energy: 1.622 local terms energy: -221.810936 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -78.989 flat angles C4'-P-C4' energy: -62.168 flat angles P-C4'-P energy: -29.855 tors. eta vs tors. theta energy: 13.457 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: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -360.538335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.538335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.538335 (E_RNA) where: Base-Base interactions energy: -164.675 where: short stacking energy: -112.340 Base-Backbone interact. energy: 2.331 local terms energy: -198.193945 where: bonds (distance) C4'-P energy: -59.554 bonds (distance) P-C4' energy: -61.669 flat angles C4'-P-C4' energy: -54.119 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: 23.222 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: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1330.367660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.367660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.367660 (E_RNA) where: Base-Base interactions energy: -939.482 where: short stacking energy: -387.430 Base-Backbone interact. energy: -0.469 local terms energy: -390.416128 where: bonds (distance) C4'-P energy: -70.987 bonds (distance) P-C4' energy: -69.095 flat angles C4'-P-C4' energy: -82.660 flat angles P-C4'-P energy: -59.704 tors. eta vs tors. theta energy: -107.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1237.598396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.598396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.598396 (E_RNA) where: Base-Base interactions energy: -836.733 where: short stacking energy: -362.639 Base-Backbone interact. energy: -0.713 local terms energy: -400.152237 where: bonds (distance) C4'-P energy: -71.187 bonds (distance) P-C4' energy: -81.482 flat angles C4'-P-C4' energy: -83.232 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -107.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1097.467864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.467864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.467864 (E_RNA) where: Base-Base interactions energy: -722.409 where: short stacking energy: -329.111 Base-Backbone interact. energy: -3.962 local terms energy: -371.097201 where: bonds (distance) C4'-P energy: -62.485 bonds (distance) P-C4' energy: -79.432 flat angles C4'-P-C4' energy: -86.487 flat angles P-C4'-P energy: -54.404 tors. eta vs tors. theta energy: -88.289 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: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1044.706409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.706409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.706409 (E_RNA) where: Base-Base interactions energy: -690.550 where: short stacking energy: -312.542 Base-Backbone interact. energy: 0.731 local terms energy: -354.886643 where: bonds (distance) C4'-P energy: -75.240 bonds (distance) P-C4' energy: -74.992 flat angles C4'-P-C4' energy: -79.594 flat angles P-C4'-P energy: -53.062 tors. eta vs tors. theta energy: -71.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1001.730527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.730527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.730527 (E_RNA) where: Base-Base interactions energy: -649.984 where: short stacking energy: -276.401 Base-Backbone interact. energy: -1.650 local terms energy: -350.096262 where: bonds (distance) C4'-P energy: -67.145 bonds (distance) P-C4' energy: -77.369 flat angles C4'-P-C4' energy: -81.290 flat angles P-C4'-P energy: -49.952 tors. eta vs tors. theta energy: -74.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -741.792114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.792114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.792114 (E_RNA) where: Base-Base interactions energy: -453.769 where: short stacking energy: -220.278 Base-Backbone interact. energy: -3.561 local terms energy: -284.462427 where: bonds (distance) C4'-P energy: -75.609 bonds (distance) P-C4' energy: -70.268 flat angles C4'-P-C4' energy: -67.192 flat angles P-C4'-P energy: -36.765 tors. eta vs tors. theta energy: -34.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -494.579679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.579679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.579679 (E_RNA) where: Base-Base interactions energy: -249.022 where: short stacking energy: -141.506 Base-Backbone interact. energy: -0.946 local terms energy: -244.611443 where: bonds (distance) C4'-P energy: -62.122 bonds (distance) P-C4' energy: -73.009 flat angles C4'-P-C4' energy: -52.182 flat angles P-C4'-P energy: -44.938 tors. eta vs tors. theta energy: -12.360 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: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -460.144963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.144963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.144963 (E_RNA) where: Base-Base interactions energy: -218.196 where: short stacking energy: -136.145 Base-Backbone interact. energy: -1.675 local terms energy: -240.274615 where: bonds (distance) C4'-P energy: -64.243 bonds (distance) P-C4' energy: -69.263 flat angles C4'-P-C4' energy: -60.795 flat angles P-C4'-P energy: -45.802 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -468.488824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.488824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.488824 (E_RNA) where: Base-Base interactions energy: -215.590 where: short stacking energy: -119.951 Base-Backbone interact. energy: -0.153 local terms energy: -252.745375 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -88.344 flat angles C4'-P-C4' energy: -52.661 flat angles P-C4'-P energy: -39.160 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -317.732333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.732333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.732333 (E_RNA) where: Base-Base interactions energy: -112.338 where: short stacking energy: -84.652 Base-Backbone interact. energy: -0.143 local terms energy: -205.251298 where: bonds (distance) C4'-P energy: -61.220 bonds (distance) P-C4' energy: -71.807 flat angles C4'-P-C4' energy: -51.094 flat angles P-C4'-P energy: -33.321 tors. eta vs tors. theta energy: 12.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1308.502836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.502836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.502836 (E_RNA) where: Base-Base interactions energy: -882.714 where: short stacking energy: -362.288 Base-Backbone interact. energy: -1.713 local terms energy: -424.075691 where: bonds (distance) C4'-P energy: -88.824 bonds (distance) P-C4' energy: -75.164 flat angles C4'-P-C4' energy: -92.355 flat angles P-C4'-P energy: -56.462 tors. eta vs tors. theta energy: -111.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1245.557948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.557948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.557948 (E_RNA) where: Base-Base interactions energy: -845.804 where: short stacking energy: -383.923 Base-Backbone interact. energy: 5.466 local terms energy: -405.220059 where: bonds (distance) C4'-P energy: -77.081 bonds (distance) P-C4' energy: -77.685 flat angles C4'-P-C4' energy: -89.540 flat angles P-C4'-P energy: -52.913 tors. eta vs tors. theta energy: -108.001 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: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1123.786334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.786334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.786334 (E_RNA) where: Base-Base interactions energy: -733.419 where: short stacking energy: -359.905 Base-Backbone interact. energy: -2.105 local terms energy: -388.262113 where: bonds (distance) C4'-P energy: -71.554 bonds (distance) P-C4' energy: -72.940 flat angles C4'-P-C4' energy: -81.394 flat angles P-C4'-P energy: -53.675 tors. eta vs tors. theta energy: -108.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1044.566712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.566712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.566712 (E_RNA) where: Base-Base interactions energy: -694.192 where: short stacking energy: -284.459 Base-Backbone interact. energy: 0.076 local terms energy: -350.450259 where: bonds (distance) C4'-P energy: -74.640 bonds (distance) P-C4' energy: -71.188 flat angles C4'-P-C4' energy: -84.620 flat angles P-C4'-P energy: -40.576 tors. eta vs tors. theta energy: -79.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -958.172249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.172249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.172249 (E_RNA) where: Base-Base interactions energy: -606.668 where: short stacking energy: -257.688 Base-Backbone interact. energy: -0.660 local terms energy: -350.844063 where: bonds (distance) C4'-P energy: -77.688 bonds (distance) P-C4' energy: -81.846 flat angles C4'-P-C4' energy: -74.732 flat angles P-C4'-P energy: -47.931 tors. eta vs tors. theta energy: -68.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -722.873348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.873348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.873348 (E_RNA) where: Base-Base interactions energy: -429.993 where: short stacking energy: -215.318 Base-Backbone interact. energy: -2.189 local terms energy: -290.691385 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -64.767 flat angles P-C4'-P energy: -50.082 tors. eta vs tors. theta energy: -45.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -512.201439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.201439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.201439 (E_RNA) where: Base-Base interactions energy: -257.456 where: short stacking energy: -154.391 Base-Backbone interact. energy: 0.910 local terms energy: -255.655287 where: bonds (distance) C4'-P energy: -47.517 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -68.112 flat angles P-C4'-P energy: -50.524 tors. eta vs tors. theta energy: -23.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -511.006283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.006283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.006283 (E_RNA) where: Base-Base interactions energy: -248.620 where: short stacking energy: -137.275 Base-Backbone interact. energy: -3.862 local terms energy: -258.523394 where: bonds (distance) C4'-P energy: -57.813 bonds (distance) P-C4' energy: -68.119 flat angles C4'-P-C4' energy: -70.549 flat angles P-C4'-P energy: -45.682 tors. eta vs tors. theta energy: -16.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -405.995446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.995446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.995446 (E_RNA) where: Base-Base interactions energy: -189.861 where: short stacking energy: -108.709 Base-Backbone interact. energy: -0.602 local terms energy: -215.532005 where: bonds (distance) C4'-P energy: -73.836 bonds (distance) P-C4' energy: -71.503 flat angles C4'-P-C4' energy: -38.892 flat angles P-C4'-P energy: -31.811 tors. eta vs tors. theta energy: 0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -314.044431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.044431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.044431 (E_RNA) where: Base-Base interactions energy: -114.144 where: short stacking energy: -89.375 Base-Backbone interact. energy: 3.181 local terms energy: -203.082205 where: bonds (distance) C4'-P energy: -49.536 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -49.449 flat angles P-C4'-P energy: -48.999 tors. eta vs tors. theta energy: 21.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1320.513783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.513783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.513783 (E_RNA) where: Base-Base interactions energy: -898.659 where: short stacking energy: -380.419 Base-Backbone interact. energy: -0.644 local terms energy: -421.211083 where: bonds (distance) C4'-P energy: -80.782 bonds (distance) P-C4' energy: -82.123 flat angles C4'-P-C4' energy: -90.487 flat angles P-C4'-P energy: -51.283 tors. eta vs tors. theta energy: -116.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1248.381489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.381489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.381489 (E_RNA) where: Base-Base interactions energy: -831.750 where: short stacking energy: -379.029 Base-Backbone interact. energy: -0.707 local terms energy: -415.924536 where: bonds (distance) C4'-P energy: -74.437 bonds (distance) P-C4' energy: -80.530 flat angles C4'-P-C4' energy: -91.470 flat angles P-C4'-P energy: -61.755 tors. eta vs tors. theta energy: -107.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1092.950272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.950272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.950272 (E_RNA) where: Base-Base interactions energy: -720.659 where: short stacking energy: -317.686 Base-Backbone interact. energy: -2.175 local terms energy: -370.117173 where: bonds (distance) C4'-P energy: -76.447 bonds (distance) P-C4' energy: -55.945 flat angles C4'-P-C4' energy: -85.395 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: -91.365 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: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1060.602869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.602869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.602869 (E_RNA) where: Base-Base interactions energy: -674.944 where: short stacking energy: -321.688 Base-Backbone interact. energy: 0.636 local terms energy: -386.294207 where: bonds (distance) C4'-P energy: -78.055 bonds (distance) P-C4' energy: -77.785 flat angles C4'-P-C4' energy: -82.785 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -99.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -991.198035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.198035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.198035 (E_RNA) where: Base-Base interactions energy: -634.240 where: short stacking energy: -271.059 Base-Backbone interact. energy: -0.044 local terms energy: -356.913839 where: bonds (distance) C4'-P energy: -75.305 bonds (distance) P-C4' energy: -81.060 flat angles C4'-P-C4' energy: -66.667 flat angles P-C4'-P energy: -55.548 tors. eta vs tors. theta energy: -78.334 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: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -725.200286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.200286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.200286 (E_RNA) where: Base-Base interactions energy: -408.885 where: short stacking energy: -212.629 Base-Backbone interact. energy: -1.988 local terms energy: -314.327769 where: bonds (distance) C4'-P energy: -70.154 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -74.042 flat angles P-C4'-P energy: -54.059 tors. eta vs tors. theta energy: -48.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -560.506039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.506039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.506039 (E_RNA) where: Base-Base interactions energy: -276.498 where: short stacking energy: -151.948 Base-Backbone interact. energy: 0.681 local terms energy: -284.689446 where: bonds (distance) C4'-P energy: -80.062 bonds (distance) P-C4' energy: -72.099 flat angles C4'-P-C4' energy: -73.403 flat angles P-C4'-P energy: -48.247 tors. eta vs tors. theta energy: -10.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -491.868370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.868370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.868370 (E_RNA) where: Base-Base interactions energy: -242.133 where: short stacking energy: -118.525 Base-Backbone interact. energy: -2.035 local terms energy: -247.699719 where: bonds (distance) C4'-P energy: -60.677 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -73.269 flat angles P-C4'-P energy: -36.276 tors. eta vs tors. theta energy: -6.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -415.672690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.672690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.672690 (E_RNA) where: Base-Base interactions energy: -191.591 where: short stacking energy: -108.451 Base-Backbone interact. energy: -1.266 local terms energy: -222.815634 where: bonds (distance) C4'-P energy: -59.016 bonds (distance) P-C4' energy: -81.912 flat angles C4'-P-C4' energy: -59.063 flat angles P-C4'-P energy: -31.486 tors. eta vs tors. theta energy: 8.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -316.498838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.498838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.498838 (E_RNA) where: Base-Base interactions energy: -98.195 where: short stacking energy: -97.009 Base-Backbone interact. energy: -1.491 local terms energy: -216.812105 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -70.374 flat angles C4'-P-C4' energy: -47.944 flat angles P-C4'-P energy: -37.188 tors. eta vs tors. theta energy: 3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1342.484124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.484124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.484124 (E_RNA) where: Base-Base interactions energy: -919.072 where: short stacking energy: -373.714 Base-Backbone interact. energy: -0.471 local terms energy: -422.941718 where: bonds (distance) C4'-P energy: -74.100 bonds (distance) P-C4' energy: -87.404 flat angles C4'-P-C4' energy: -76.951 flat angles P-C4'-P energy: -70.398 tors. eta vs tors. theta energy: -114.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1251.629220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.629220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.629220 (E_RNA) where: Base-Base interactions energy: -834.464 where: short stacking energy: -357.671 Base-Backbone interact. energy: -2.818 local terms energy: -414.347625 where: bonds (distance) C4'-P energy: -71.284 bonds (distance) P-C4' energy: -84.394 flat angles C4'-P-C4' energy: -93.706 flat angles P-C4'-P energy: -53.714 tors. eta vs tors. theta energy: -111.249 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: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1109.173172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.173172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.173172 (E_RNA) where: Base-Base interactions energy: -723.679 where: short stacking energy: -354.449 Base-Backbone interact. energy: 1.327 local terms energy: -386.821353 where: bonds (distance) C4'-P energy: -65.313 bonds (distance) P-C4' energy: -78.568 flat angles C4'-P-C4' energy: -87.368 flat angles P-C4'-P energy: -50.147 tors. eta vs tors. theta energy: -105.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1008.143650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.143650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.143650 (E_RNA) where: Base-Base interactions energy: -642.609 where: short stacking energy: -295.694 Base-Backbone interact. energy: 1.048 local terms energy: -366.582673 where: bonds (distance) C4'-P energy: -85.424 bonds (distance) P-C4' energy: -74.556 flat angles C4'-P-C4' energy: -87.360 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -77.327 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: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1029.123537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.123537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.123537 (E_RNA) where: Base-Base interactions energy: -669.541 where: short stacking energy: -296.797 Base-Backbone interact. energy: -1.212 local terms energy: -358.370482 where: bonds (distance) C4'-P energy: -66.616 bonds (distance) P-C4' energy: -79.509 flat angles C4'-P-C4' energy: -86.282 flat angles P-C4'-P energy: -47.055 tors. eta vs tors. theta energy: -78.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -720.162264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.162264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.162264 (E_RNA) where: Base-Base interactions energy: -418.625 where: short stacking energy: -207.327 Base-Backbone interact. energy: -0.952 local terms energy: -300.586012 where: bonds (distance) C4'-P energy: -73.686 bonds (distance) P-C4' energy: -58.971 flat angles C4'-P-C4' energy: -80.907 flat angles P-C4'-P energy: -43.066 tors. eta vs tors. theta energy: -43.957 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: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -481.306523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.306523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.306523 (E_RNA) where: Base-Base interactions energy: -217.713 where: short stacking energy: -140.802 Base-Backbone interact. energy: -0.441 local terms energy: -263.152575 where: bonds (distance) C4'-P energy: -70.194 bonds (distance) P-C4' energy: -69.637 flat angles C4'-P-C4' energy: -59.377 flat angles P-C4'-P energy: -47.850 tors. eta vs tors. theta energy: -16.096 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: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -429.736235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.736235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.736235 (E_RNA) where: Base-Base interactions energy: -194.427 where: short stacking energy: -126.134 Base-Backbone interact. energy: 0.063 local terms energy: -235.371247 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -72.038 flat angles C4'-P-C4' energy: -59.991 flat angles P-C4'-P energy: -35.997 tors. eta vs tors. theta energy: 0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -425.934784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.934784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.934784 (E_RNA) where: Base-Base interactions energy: -218.244 where: short stacking energy: -107.765 Base-Backbone interact. energy: 2.093 local terms energy: -209.783644 where: bonds (distance) C4'-P energy: -63.177 bonds (distance) P-C4' energy: -57.978 flat angles C4'-P-C4' energy: -63.405 flat angles P-C4'-P energy: -43.346 tors. eta vs tors. theta energy: 18.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -347.039413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.039413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.039413 (E_RNA) where: Base-Base interactions energy: -119.903 where: short stacking energy: -78.154 Base-Backbone interact. energy: 1.358 local terms energy: -228.495219 where: bonds (distance) C4'-P energy: -69.094 bonds (distance) P-C4' energy: -70.118 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -30.711 tors. eta vs tors. theta energy: 12.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1337.092111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.092111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.092111 (E_RNA) where: Base-Base interactions energy: -923.303 where: short stacking energy: -381.175 Base-Backbone interact. energy: 0.164 local terms energy: -413.953612 where: bonds (distance) C4'-P energy: -72.200 bonds (distance) P-C4' energy: -85.434 flat angles C4'-P-C4' energy: -96.236 flat angles P-C4'-P energy: -47.426 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: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1268.267941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.267941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.267941 (E_RNA) where: Base-Base interactions energy: -832.831 where: short stacking energy: -402.115 Base-Backbone interact. energy: 4.542 local terms energy: -439.978435 where: bonds (distance) C4'-P energy: -74.919 bonds (distance) P-C4' energy: -86.696 flat angles C4'-P-C4' energy: -94.430 flat angles P-C4'-P energy: -60.511 tors. eta vs tors. theta energy: -123.423 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: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1135.399227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.399227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.399227 (E_RNA) where: Base-Base interactions energy: -742.268 where: short stacking energy: -332.839 Base-Backbone interact. energy: -0.336 local terms energy: -392.794599 where: bonds (distance) C4'-P energy: -85.432 bonds (distance) P-C4' energy: -65.077 flat angles C4'-P-C4' energy: -89.340 flat angles P-C4'-P energy: -56.763 tors. eta vs tors. theta energy: -96.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1078.043434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.043434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.043434 (E_RNA) where: Base-Base interactions energy: -723.639 where: short stacking energy: -301.201 Base-Backbone interact. energy: -1.185 local terms energy: -353.220093 where: bonds (distance) C4'-P energy: -74.785 bonds (distance) P-C4' energy: -62.832 flat angles C4'-P-C4' energy: -84.635 flat angles P-C4'-P energy: -57.468 tors. eta vs tors. theta energy: -73.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1020.627120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.627120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.627120 (E_RNA) where: Base-Base interactions energy: -657.506 where: short stacking energy: -279.195 Base-Backbone interact. energy: -1.231 local terms energy: -361.890051 where: bonds (distance) C4'-P energy: -77.660 bonds (distance) P-C4' energy: -74.527 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -56.544 tors. eta vs tors. theta energy: -80.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -714.685891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.685891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.685891 (E_RNA) where: Base-Base interactions energy: -414.310 where: short stacking energy: -205.107 Base-Backbone interact. energy: -2.367 local terms energy: -298.009086 where: bonds (distance) C4'-P energy: -68.404 bonds (distance) P-C4' energy: -76.026 flat angles C4'-P-C4' energy: -67.915 flat angles P-C4'-P energy: -45.189 tors. eta vs tors. theta energy: -40.476 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: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -497.387433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.387433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.387433 (E_RNA) where: Base-Base interactions energy: -223.662 where: short stacking energy: -131.894 Base-Backbone interact. energy: -2.844 local terms energy: -270.881532 where: bonds (distance) C4'-P energy: -71.017 bonds (distance) P-C4' energy: -80.378 flat angles C4'-P-C4' energy: -61.231 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: -8.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -458.720118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.720118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.720118 (E_RNA) where: Base-Base interactions energy: -189.878 where: short stacking energy: -111.875 Base-Backbone interact. energy: 3.746 local terms energy: -272.587951 where: bonds (distance) C4'-P energy: -73.199 bonds (distance) P-C4' energy: -75.961 flat angles C4'-P-C4' energy: -78.696 flat angles P-C4'-P energy: -39.672 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -343.902802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.902802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.902802 (E_RNA) where: Base-Base interactions energy: -135.846 where: short stacking energy: -106.262 Base-Backbone interact. energy: -1.176 local terms energy: -206.880576 where: bonds (distance) C4'-P energy: -61.960 bonds (distance) P-C4' energy: -68.377 flat angles C4'-P-C4' energy: -61.037 flat angles P-C4'-P energy: -22.645 tors. eta vs tors. theta energy: 7.139 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: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -414.186086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.186086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.186086 (E_RNA) where: Base-Base interactions energy: -205.526 where: short stacking energy: -111.874 Base-Backbone interact. energy: -1.887 local terms energy: -206.772639 where: bonds (distance) C4'-P energy: -71.232 bonds (distance) P-C4' energy: -67.101 flat angles C4'-P-C4' energy: -43.105 flat angles P-C4'-P energy: -32.549 tors. eta vs tors. theta energy: 7.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1310.076706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.076706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.076706 (E_RNA) where: Base-Base interactions energy: -885.724 where: short stacking energy: -374.098 Base-Backbone interact. energy: -1.990 local terms energy: -422.362881 where: bonds (distance) C4'-P energy: -81.877 bonds (distance) P-C4' energy: -77.584 flat angles C4'-P-C4' energy: -85.055 flat angles P-C4'-P energy: -62.025 tors. eta vs tors. theta energy: -115.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1251.160273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.160273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.160273 (E_RNA) where: Base-Base interactions energy: -842.763 where: short stacking energy: -376.381 Base-Backbone interact. energy: -1.929 local terms energy: -406.467440 where: bonds (distance) C4'-P energy: -83.954 bonds (distance) P-C4' energy: -74.636 flat angles C4'-P-C4' energy: -85.487 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -116.250 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: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1129.598440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.598440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.598440 (E_RNA) where: Base-Base interactions energy: -740.208 where: short stacking energy: -335.271 Base-Backbone interact. energy: -0.252 local terms energy: -389.138192 where: bonds (distance) C4'-P energy: -68.220 bonds (distance) P-C4' energy: -70.119 flat angles C4'-P-C4' energy: -87.732 flat angles P-C4'-P energy: -62.234 tors. eta vs tors. theta energy: -100.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1050.226392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.226392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.226392 (E_RNA) where: Base-Base interactions energy: -698.079 where: short stacking energy: -305.562 Base-Backbone interact. energy: 4.111 local terms energy: -356.258928 where: bonds (distance) C4'-P energy: -52.525 bonds (distance) P-C4' energy: -80.769 flat angles C4'-P-C4' energy: -82.702 flat angles P-C4'-P energy: -56.977 tors. eta vs tors. theta energy: -83.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1024.973311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.973311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.973311 (E_RNA) where: Base-Base interactions energy: -672.885 where: short stacking energy: -302.700 Base-Backbone interact. energy: -0.002 local terms energy: -352.086097 where: bonds (distance) C4'-P energy: -77.711 bonds (distance) P-C4' energy: -63.527 flat angles C4'-P-C4' energy: -70.728 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -88.288 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: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -776.187407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.187407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.187407 (E_RNA) where: Base-Base interactions energy: -477.540 where: short stacking energy: -235.672 Base-Backbone interact. energy: 0.379 local terms energy: -299.026547 where: bonds (distance) C4'-P energy: -68.272 bonds (distance) P-C4' energy: -71.804 flat angles C4'-P-C4' energy: -65.206 flat angles P-C4'-P energy: -46.231 tors. eta vs tors. theta energy: -47.514 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: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -541.152015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.152015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.152015 (E_RNA) where: Base-Base interactions energy: -293.767 where: short stacking energy: -161.589 Base-Backbone interact. energy: 1.165 local terms energy: -248.550348 where: bonds (distance) C4'-P energy: -66.402 bonds (distance) P-C4' energy: -74.037 flat angles C4'-P-C4' energy: -65.738 flat angles P-C4'-P energy: -35.440 tors. eta vs tors. theta energy: -6.933 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: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -441.189239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.189239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.189239 (E_RNA) where: Base-Base interactions energy: -222.556 where: short stacking energy: -133.852 Base-Backbone interact. energy: -1.689 local terms energy: -216.945106 where: bonds (distance) C4'-P energy: -57.055 bonds (distance) P-C4' energy: -60.443 flat angles C4'-P-C4' energy: -59.193 flat angles P-C4'-P energy: -36.610 tors. eta vs tors. theta energy: -3.644 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: 189 Temperature: 1.300000 Total energy: -337.893443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.893443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.893443 (E_RNA) where: Base-Base interactions energy: -121.728 where: short stacking energy: -83.099 Base-Backbone interact. energy: 2.495 local terms energy: -218.659707 where: bonds (distance) C4'-P energy: -71.065 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -53.483 flat angles P-C4'-P energy: -26.477 tors. eta vs tors. theta energy: -4.652 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: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -446.936952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.936952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.936952 (E_RNA) where: Base-Base interactions energy: -214.801 where: short stacking energy: -121.300 Base-Backbone interact. energy: 0.007 local terms energy: -232.142799 where: bonds (distance) C4'-P energy: -62.751 bonds (distance) P-C4' energy: -73.329 flat angles C4'-P-C4' energy: -56.553 flat angles P-C4'-P energy: -35.644 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1318.471396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.471396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.471396 (E_RNA) where: Base-Base interactions energy: -891.161 where: short stacking energy: -392.248 Base-Backbone interact. energy: 0.229 local terms energy: -427.539700 where: bonds (distance) C4'-P energy: -82.454 bonds (distance) P-C4' energy: -83.618 flat angles C4'-P-C4' energy: -90.047 flat angles P-C4'-P energy: -57.263 tors. eta vs tors. theta energy: -114.157 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: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1243.178616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.178616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.178616 (E_RNA) where: Base-Base interactions energy: -823.175 where: short stacking energy: -380.067 Base-Backbone interact. energy: -1.050 local terms energy: -418.953839 where: bonds (distance) C4'-P energy: -68.452 bonds (distance) P-C4' energy: -78.082 flat angles C4'-P-C4' energy: -92.925 flat angles P-C4'-P energy: -65.051 tors. eta vs tors. theta energy: -114.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1102.483769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.483769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.483769 (E_RNA) where: Base-Base interactions energy: -714.969 where: short stacking energy: -316.696 Base-Backbone interact. energy: -1.918 local terms energy: -385.596390 where: bonds (distance) C4'-P energy: -75.657 bonds (distance) P-C4' energy: -71.442 flat angles C4'-P-C4' energy: -88.795 flat angles P-C4'-P energy: -60.442 tors. eta vs tors. theta energy: -89.260 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: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1063.296038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.296038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.296038 (E_RNA) where: Base-Base interactions energy: -692.678 where: short stacking energy: -304.750 Base-Backbone interact. energy: -3.699 local terms energy: -366.919059 where: bonds (distance) C4'-P energy: -73.279 bonds (distance) P-C4' energy: -77.869 flat angles C4'-P-C4' energy: -81.207 flat angles P-C4'-P energy: -53.350 tors. eta vs tors. theta energy: -81.215 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: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1041.292598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.292598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.292598 (E_RNA) where: Base-Base interactions energy: -687.141 where: short stacking energy: -263.990 Base-Backbone interact. energy: -2.807 local terms energy: -351.344297 where: bonds (distance) C4'-P energy: -64.936 bonds (distance) P-C4' energy: -79.630 flat angles C4'-P-C4' energy: -83.487 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -69.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -719.681686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.681686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.681686 (E_RNA) where: Base-Base interactions energy: -440.739 where: short stacking energy: -224.498 Base-Backbone interact. energy: 1.459 local terms energy: -280.401876 where: bonds (distance) C4'-P energy: -47.870 bonds (distance) P-C4' energy: -74.986 flat angles C4'-P-C4' energy: -63.921 flat angles P-C4'-P energy: -53.231 tors. eta vs tors. theta energy: -40.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -456.343699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.343699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.343699 (E_RNA) where: Base-Base interactions energy: -210.402 where: short stacking energy: -114.390 Base-Backbone interact. energy: -3.483 local terms energy: -242.458804 where: bonds (distance) C4'-P energy: -74.207 bonds (distance) P-C4' energy: -74.080 flat angles C4'-P-C4' energy: -57.083 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: 8.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -447.492047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.492047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.492047 (E_RNA) where: Base-Base interactions energy: -223.481 where: short stacking energy: -132.276 Base-Backbone interact. energy: 1.956 local terms energy: -225.967427 where: bonds (distance) C4'-P energy: -76.099 bonds (distance) P-C4' energy: -66.443 flat angles C4'-P-C4' energy: -62.902 flat angles P-C4'-P energy: -22.822 tors. eta vs tors. theta energy: 2.299 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: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -423.110999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.110999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.110999 (E_RNA) where: Base-Base interactions energy: -199.773 where: short stacking energy: -101.663 Base-Backbone interact. energy: 0.863 local terms energy: -224.200920 where: bonds (distance) C4'-P energy: -80.279 bonds (distance) P-C4' energy: -86.006 flat angles C4'-P-C4' energy: -56.264 flat angles P-C4'-P energy: -18.710 tors. eta vs tors. theta energy: 17.058 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: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -365.188781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.188781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.188781 (E_RNA) where: Base-Base interactions energy: -141.200 where: short stacking energy: -94.338 Base-Backbone interact. energy: -2.309 local terms energy: -221.679953 where: bonds (distance) C4'-P energy: -57.168 bonds (distance) P-C4' energy: -76.393 flat angles C4'-P-C4' energy: -60.676 flat angles P-C4'-P energy: -28.366 tors. eta vs tors. theta energy: 0.923 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: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1318.031395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.031395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.031395 (E_RNA) where: Base-Base interactions energy: -895.140 where: short stacking energy: -381.249 Base-Backbone interact. energy: -0.402 local terms energy: -422.489626 where: bonds (distance) C4'-P energy: -76.609 bonds (distance) P-C4' energy: -87.543 flat angles C4'-P-C4' energy: -87.239 flat angles P-C4'-P energy: -61.196 tors. eta vs tors. theta energy: -109.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1238.689834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.689834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.689834 (E_RNA) where: Base-Base interactions energy: -821.813 where: short stacking energy: -350.645 Base-Backbone interact. energy: -2.072 local terms energy: -414.805196 where: bonds (distance) C4'-P energy: -75.352 bonds (distance) P-C4' energy: -77.289 flat angles C4'-P-C4' energy: -94.395 flat angles P-C4'-P energy: -60.124 tors. eta vs tors. theta energy: -107.645 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: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1125.777174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.777174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.777174 (E_RNA) where: Base-Base interactions energy: -727.278 where: short stacking energy: -337.609 Base-Backbone interact. energy: -2.666 local terms energy: -395.833579 where: bonds (distance) C4'-P energy: -76.253 bonds (distance) P-C4' energy: -80.301 flat angles C4'-P-C4' energy: -86.194 flat angles P-C4'-P energy: -55.637 tors. eta vs tors. theta energy: -97.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1098.353734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.353734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.353734 (E_RNA) where: Base-Base interactions energy: -736.318 where: short stacking energy: -316.209 Base-Backbone interact. energy: -1.483 local terms energy: -360.553202 where: bonds (distance) C4'-P energy: -61.645 bonds (distance) P-C4' energy: -79.062 flat angles C4'-P-C4' energy: -84.700 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: -92.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1002.350071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.350071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.350071 (E_RNA) where: Base-Base interactions energy: -637.894 where: short stacking energy: -283.404 Base-Backbone interact. energy: -1.892 local terms energy: -362.564305 where: bonds (distance) C4'-P energy: -75.049 bonds (distance) P-C4' energy: -80.019 flat angles C4'-P-C4' energy: -85.170 flat angles P-C4'-P energy: -49.813 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: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -744.008290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.008290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.008290 (E_RNA) where: Base-Base interactions energy: -450.710 where: short stacking energy: -240.897 Base-Backbone interact. energy: -0.655 local terms energy: -292.643410 where: bonds (distance) C4'-P energy: -62.161 bonds (distance) P-C4' energy: -58.042 flat angles C4'-P-C4' energy: -75.311 flat angles P-C4'-P energy: -39.939 tors. eta vs tors. theta energy: -57.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -495.867759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.867759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.867759 (E_RNA) where: Base-Base interactions energy: -250.574 where: short stacking energy: -140.096 Base-Backbone interact. energy: -1.259 local terms energy: -244.034958 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -74.382 flat angles C4'-P-C4' energy: -60.793 flat angles P-C4'-P energy: -32.074 tors. eta vs tors. theta energy: -9.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -468.705418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.705418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.705418 (E_RNA) where: Base-Base interactions energy: -217.465 where: short stacking energy: -125.499 Base-Backbone interact. energy: 7.646 local terms energy: -258.886472 where: bonds (distance) C4'-P energy: -63.385 bonds (distance) P-C4' energy: -85.250 flat angles C4'-P-C4' energy: -57.075 flat angles P-C4'-P energy: -46.942 tors. eta vs tors. theta energy: -6.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -408.464385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.464385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.464385 (E_RNA) where: Base-Base interactions energy: -197.318 where: short stacking energy: -112.560 Base-Backbone interact. energy: -2.284 local terms energy: -208.861980 where: bonds (distance) C4'-P energy: -57.057 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -65.621 flat angles P-C4'-P energy: -28.641 tors. eta vs tors. theta energy: 3.821 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: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -300.200178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.200178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.200178 (E_RNA) where: Base-Base interactions energy: -93.207 where: short stacking energy: -78.607 Base-Backbone interact. energy: -1.655 local terms energy: -205.338061 where: bonds (distance) C4'-P energy: -69.344 bonds (distance) P-C4' energy: -71.723 flat angles C4'-P-C4' energy: -56.633 flat angles P-C4'-P energy: -35.280 tors. eta vs tors. theta energy: 27.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1284.758301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.758301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.758301 (E_RNA) where: Base-Base interactions energy: -845.235 where: short stacking energy: -396.371 Base-Backbone interact. energy: -1.954 local terms energy: -437.569502 where: bonds (distance) C4'-P energy: -81.225 bonds (distance) P-C4' energy: -90.371 flat angles C4'-P-C4' energy: -84.525 flat angles P-C4'-P energy: -66.220 tors. eta vs tors. theta energy: -115.229 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: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1260.568789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.568789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.568789 (E_RNA) where: Base-Base interactions energy: -865.855 where: short stacking energy: -354.895 Base-Backbone interact. energy: -0.963 local terms energy: -393.751000 where: bonds (distance) C4'-P energy: -80.412 bonds (distance) P-C4' energy: -68.746 flat angles C4'-P-C4' energy: -83.563 flat angles P-C4'-P energy: -57.601 tors. eta vs tors. theta energy: -103.429 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: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1122.959191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.959191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.959191 (E_RNA) where: Base-Base interactions energy: -733.146 where: short stacking energy: -329.192 Base-Backbone interact. energy: 0.449 local terms energy: -390.262589 where: bonds (distance) C4'-P energy: -78.374 bonds (distance) P-C4' energy: -78.330 flat angles C4'-P-C4' energy: -87.482 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -95.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1094.554683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.554683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.554683 (E_RNA) where: Base-Base interactions energy: -722.408 where: short stacking energy: -322.156 Base-Backbone interact. energy: -2.953 local terms energy: -369.194042 where: bonds (distance) C4'-P energy: -64.153 bonds (distance) P-C4' energy: -83.564 flat angles C4'-P-C4' energy: -82.426 flat angles P-C4'-P energy: -46.534 tors. eta vs tors. theta energy: -92.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -993.675803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.675803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.675803 (E_RNA) where: Base-Base interactions energy: -648.072 where: short stacking energy: -265.876 Base-Backbone interact. energy: 1.289 local terms energy: -346.893016 where: bonds (distance) C4'-P energy: -67.747 bonds (distance) P-C4' energy: -72.805 flat angles C4'-P-C4' energy: -75.482 flat angles P-C4'-P energy: -58.491 tors. eta vs tors. theta energy: -72.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -808.839807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.839807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.839807 (E_RNA) where: Base-Base interactions energy: -499.080 where: short stacking energy: -282.270 Base-Backbone interact. energy: -1.280 local terms energy: -308.480043 where: bonds (distance) C4'-P energy: -67.654 bonds (distance) P-C4' energy: -64.640 flat angles C4'-P-C4' energy: -73.710 flat angles P-C4'-P energy: -30.656 tors. eta vs tors. theta energy: -71.821 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: 9 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -493.548888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.548888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.548888 (E_RNA) where: Base-Base interactions energy: -250.572 where: short stacking energy: -135.544 Base-Backbone interact. energy: -0.974 local terms energy: -242.003628 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -69.393 flat angles C4'-P-C4' energy: -63.471 flat angles P-C4'-P energy: -40.459 tors. eta vs tors. theta energy: -6.882 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: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -458.235553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.235553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.235553 (E_RNA) where: Base-Base interactions energy: -200.042 where: short stacking energy: -129.450 Base-Backbone interact. energy: -2.584 local terms energy: -255.609623 where: bonds (distance) C4'-P energy: -61.389 bonds (distance) P-C4' energy: -68.908 flat angles C4'-P-C4' energy: -78.635 flat angles P-C4'-P energy: -38.582 tors. eta vs tors. theta energy: -8.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -444.522074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.522074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.522074 (E_RNA) where: Base-Base interactions energy: -222.072 where: short stacking energy: -135.743 Base-Backbone interact. energy: -1.577 local terms energy: -220.873536 where: bonds (distance) C4'-P energy: -69.734 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -57.325 flat angles P-C4'-P energy: -19.016 tors. eta vs tors. theta energy: -9.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -312.379337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.379337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.379337 (E_RNA) where: Base-Base interactions energy: -119.535 where: short stacking energy: -101.456 Base-Backbone interact. energy: 1.904 local terms energy: -194.748281 where: bonds (distance) C4'-P energy: -63.050 bonds (distance) P-C4' energy: -64.661 flat angles C4'-P-C4' energy: -50.947 flat angles P-C4'-P energy: -33.650 tors. eta vs tors. theta energy: 17.560 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: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1275.873452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.873452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.873452 (E_RNA) where: Base-Base interactions energy: -840.492 where: short stacking energy: -385.884 Base-Backbone interact. energy: -2.368 local terms energy: -433.013948 where: bonds (distance) C4'-P energy: -78.491 bonds (distance) P-C4' energy: -83.773 flat angles C4'-P-C4' energy: -94.621 flat angles P-C4'-P energy: -58.333 tors. eta vs tors. theta energy: -117.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1279.216583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.216583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.216583 (E_RNA) where: Base-Base interactions energy: -883.701 where: short stacking energy: -366.097 Base-Backbone interact. energy: -0.485 local terms energy: -395.030107 where: bonds (distance) C4'-P energy: -77.732 bonds (distance) P-C4' energy: -80.039 flat angles C4'-P-C4' energy: -77.535 flat angles P-C4'-P energy: -51.365 tors. eta vs tors. theta energy: -108.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1162.581142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.581142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.581142 (E_RNA) where: Base-Base interactions energy: -779.275 where: short stacking energy: -323.591 Base-Backbone interact. energy: -0.795 local terms energy: -382.511964 where: bonds (distance) C4'-P energy: -74.265 bonds (distance) P-C4' energy: -66.829 flat angles C4'-P-C4' energy: -79.865 flat angles P-C4'-P energy: -69.598 tors. eta vs tors. theta energy: -91.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1064.996939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.996939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.996939 (E_RNA) where: Base-Base interactions energy: -694.979 where: short stacking energy: -326.812 Base-Backbone interact. energy: -2.486 local terms energy: -367.531914 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -63.914 flat angles C4'-P-C4' energy: -83.956 flat angles P-C4'-P energy: -54.226 tors. eta vs tors. theta energy: -96.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1009.314687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.314687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.314687 (E_RNA) where: Base-Base interactions energy: -641.515 where: short stacking energy: -285.079 Base-Backbone interact. energy: -1.172 local terms energy: -366.627700 where: bonds (distance) C4'-P energy: -74.406 bonds (distance) P-C4' energy: -70.806 flat angles C4'-P-C4' energy: -72.558 flat angles P-C4'-P energy: -65.373 tors. eta vs tors. theta energy: -83.485 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: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -754.247782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.247782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.247782 (E_RNA) where: Base-Base interactions energy: -464.526 where: short stacking energy: -225.001 Base-Backbone interact. energy: 0.248 local terms energy: -289.969570 where: bonds (distance) C4'-P energy: -62.393 bonds (distance) P-C4' energy: -66.207 flat angles C4'-P-C4' energy: -63.013 flat angles P-C4'-P energy: -46.462 tors. eta vs tors. theta energy: -51.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -492.995789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.995789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.995789 (E_RNA) where: Base-Base interactions energy: -233.135 where: short stacking energy: -119.030 Base-Backbone interact. energy: 1.085 local terms energy: -260.945555 where: bonds (distance) C4'-P energy: -68.940 bonds (distance) P-C4' energy: -77.645 flat angles C4'-P-C4' energy: -63.799 flat angles P-C4'-P energy: -42.921 tors. eta vs tors. theta energy: -7.641 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: 4 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -448.886394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.886394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.886394 (E_RNA) where: Base-Base interactions energy: -217.859 where: short stacking energy: -132.611 Base-Backbone interact. energy: 1.447 local terms energy: -232.474801 where: bonds (distance) C4'-P energy: -57.686 bonds (distance) P-C4' energy: -66.966 flat angles C4'-P-C4' energy: -69.351 flat angles P-C4'-P energy: -33.866 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -447.943728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.943728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.943728 (E_RNA) where: Base-Base interactions energy: -211.661 where: short stacking energy: -138.377 Base-Backbone interact. energy: 1.180 local terms energy: -237.462544 where: bonds (distance) C4'-P energy: -64.959 bonds (distance) P-C4' energy: -70.135 flat angles C4'-P-C4' energy: -64.360 flat angles P-C4'-P energy: -29.509 tors. eta vs tors. theta energy: -8.500 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: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -319.664081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.664081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.664081 (E_RNA) where: Base-Base interactions energy: -105.261 where: short stacking energy: -85.407 Base-Backbone interact. energy: 1.139 local terms energy: -215.541707 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -58.729 flat angles C4'-P-C4' energy: -58.956 flat angles P-C4'-P energy: -47.175 tors. eta vs tors. theta energy: 6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1285.892578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.892578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.892578 (E_RNA) where: Base-Base interactions energy: -858.914 where: short stacking energy: -392.531 Base-Backbone interact. energy: 1.709 local terms energy: -428.687041 where: bonds (distance) C4'-P energy: -77.610 bonds (distance) P-C4' energy: -79.317 flat angles C4'-P-C4' energy: -93.521 flat angles P-C4'-P energy: -54.156 tors. eta vs tors. theta energy: -124.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1246.318830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.318830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.318830 (E_RNA) where: Base-Base interactions energy: -844.197 where: short stacking energy: -352.792 Base-Backbone interact. energy: -2.281 local terms energy: -399.840967 where: bonds (distance) C4'-P energy: -77.034 bonds (distance) P-C4' energy: -87.450 flat angles C4'-P-C4' energy: -82.490 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: -103.516 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: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1184.907887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.907887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.907887 (E_RNA) where: Base-Base interactions energy: -781.593 where: short stacking energy: -335.305 Base-Backbone interact. energy: 3.336 local terms energy: -406.650988 where: bonds (distance) C4'-P energy: -73.499 bonds (distance) P-C4' energy: -86.204 flat angles C4'-P-C4' energy: -92.081 flat angles P-C4'-P energy: -53.160 tors. eta vs tors. theta energy: -101.706 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: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1030.169420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.169420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.169420 (E_RNA) where: Base-Base interactions energy: -660.382 where: short stacking energy: -304.081 Base-Backbone interact. energy: -2.277 local terms energy: -367.510864 where: bonds (distance) C4'-P energy: -70.619 bonds (distance) P-C4' energy: -78.256 flat angles C4'-P-C4' energy: -76.806 flat angles P-C4'-P energy: -52.739 tors. eta vs tors. theta energy: -89.090 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: 10 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1008.968287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.968287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.968287 (E_RNA) where: Base-Base interactions energy: -665.437 where: short stacking energy: -284.858 Base-Backbone interact. energy: -0.581 local terms energy: -342.950596 where: bonds (distance) C4'-P energy: -75.013 bonds (distance) P-C4' energy: -69.402 flat angles C4'-P-C4' energy: -71.251 flat angles P-C4'-P energy: -50.997 tors. eta vs tors. theta energy: -76.288 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: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -771.658277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.658277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.658277 (E_RNA) where: Base-Base interactions energy: -459.733 where: short stacking energy: -239.754 Base-Backbone interact. energy: -1.422 local terms energy: -310.502737 where: bonds (distance) C4'-P energy: -56.158 bonds (distance) P-C4' energy: -66.731 flat angles C4'-P-C4' energy: -85.186 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -51.533 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: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -575.298393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.298393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.298393 (E_RNA) where: Base-Base interactions energy: -279.465 where: short stacking energy: -160.344 Base-Backbone interact. energy: 5.849 local terms energy: -301.682451 where: bonds (distance) C4'-P energy: -77.762 bonds (distance) P-C4' energy: -75.667 flat angles C4'-P-C4' energy: -62.951 flat angles P-C4'-P energy: -52.754 tors. eta vs tors. theta energy: -32.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -459.139689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.139689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.139689 (E_RNA) where: Base-Base interactions energy: -219.238 where: short stacking energy: -125.534 Base-Backbone interact. energy: 3.047 local terms energy: -242.948689 where: bonds (distance) C4'-P energy: -69.728 bonds (distance) P-C4' energy: -72.939 flat angles C4'-P-C4' energy: -58.057 flat angles P-C4'-P energy: -38.468 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -433.268037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.268037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.268037 (E_RNA) where: Base-Base interactions energy: -195.799 where: short stacking energy: -116.049 Base-Backbone interact. energy: -0.926 local terms energy: -236.542690 where: bonds (distance) C4'-P energy: -66.796 bonds (distance) P-C4' energy: -74.957 flat angles C4'-P-C4' energy: -63.482 flat angles P-C4'-P energy: -31.438 tors. eta vs tors. theta energy: 0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -298.239903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.239903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.239903 (E_RNA) where: Base-Base interactions energy: -109.989 where: short stacking energy: -77.152 Base-Backbone interact. energy: 0.405 local terms energy: -188.656094 where: bonds (distance) C4'-P energy: -69.088 bonds (distance) P-C4' energy: -65.448 flat angles C4'-P-C4' energy: -59.747 flat angles P-C4'-P energy: -23.127 tors. eta vs tors. theta energy: 28.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1310.622876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.622876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.622876 (E_RNA) where: Base-Base interactions energy: -871.852 where: short stacking energy: -371.725 Base-Backbone interact. energy: 0.081 local terms energy: -438.851667 where: bonds (distance) C4'-P energy: -90.426 bonds (distance) P-C4' energy: -83.276 flat angles C4'-P-C4' energy: -88.152 flat angles P-C4'-P energy: -58.678 tors. eta vs tors. theta energy: -118.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1255.586437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.586437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.586437 (E_RNA) where: Base-Base interactions energy: -841.164 where: short stacking energy: -379.053 Base-Backbone interact. energy: -0.041 local terms energy: -414.382048 where: bonds (distance) C4'-P energy: -80.164 bonds (distance) P-C4' energy: -80.216 flat angles C4'-P-C4' energy: -87.807 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -117.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1181.850922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.850922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.850922 (E_RNA) where: Base-Base interactions energy: -799.820 where: short stacking energy: -352.977 Base-Backbone interact. energy: -3.845 local terms energy: -378.185555 where: bonds (distance) C4'-P energy: -71.156 bonds (distance) P-C4' energy: -71.502 flat angles C4'-P-C4' energy: -83.197 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -104.444 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: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1055.946536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.946536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.946536 (E_RNA) where: Base-Base interactions energy: -693.384 where: short stacking energy: -307.499 Base-Backbone interact. energy: -2.066 local terms energy: -360.495898 where: bonds (distance) C4'-P energy: -75.988 bonds (distance) P-C4' energy: -79.121 flat angles C4'-P-C4' energy: -67.841 flat angles P-C4'-P energy: -54.317 tors. eta vs tors. theta energy: -83.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1024.552605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.552605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.552605 (E_RNA) where: Base-Base interactions energy: -666.847 where: short stacking energy: -304.290 Base-Backbone interact. energy: -1.840 local terms energy: -355.865655 where: bonds (distance) C4'-P energy: -65.083 bonds (distance) P-C4' energy: -74.887 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -51.800 tors. eta vs tors. theta energy: -86.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -737.473232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.473232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.473232 (E_RNA) where: Base-Base interactions energy: -424.967 where: short stacking energy: -197.530 Base-Backbone interact. energy: 1.608 local terms energy: -314.114146 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -73.685 flat angles C4'-P-C4' energy: -71.249 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -51.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -612.381912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.381912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.381912 (E_RNA) where: Base-Base interactions energy: -332.001 where: short stacking energy: -175.721 Base-Backbone interact. energy: -0.428 local terms energy: -279.952551 where: bonds (distance) C4'-P energy: -74.456 bonds (distance) P-C4' energy: -76.331 flat angles C4'-P-C4' energy: -65.643 flat angles P-C4'-P energy: -39.216 tors. eta vs tors. theta energy: -24.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -486.545831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.545831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.545831 (E_RNA) where: Base-Base interactions energy: -234.492 where: short stacking energy: -139.902 Base-Backbone interact. energy: -2.309 local terms energy: -249.745013 where: bonds (distance) C4'-P energy: -64.282 bonds (distance) P-C4' energy: -68.434 flat angles C4'-P-C4' energy: -66.239 flat angles P-C4'-P energy: -48.244 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -438.708908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.708908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.708908 (E_RNA) where: Base-Base interactions energy: -203.478 where: short stacking energy: -122.230 Base-Backbone interact. energy: 0.285 local terms energy: -235.515073 where: bonds (distance) C4'-P energy: -72.415 bonds (distance) P-C4' energy: -71.573 flat angles C4'-P-C4' energy: -61.067 flat angles P-C4'-P energy: -26.908 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -336.162027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.162027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.162027 (E_RNA) where: Base-Base interactions energy: -137.757 where: short stacking energy: -100.442 Base-Backbone interact. energy: 0.876 local terms energy: -199.281296 where: bonds (distance) C4'-P energy: -65.894 bonds (distance) P-C4' energy: -73.430 flat angles C4'-P-C4' energy: -53.475 flat angles P-C4'-P energy: -26.760 tors. eta vs tors. theta energy: 20.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1274.342487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.342487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.342487 (E_RNA) where: Base-Base interactions energy: -869.607 where: short stacking energy: -367.440 Base-Backbone interact. energy: -1.155 local terms energy: -403.580337 where: bonds (distance) C4'-P energy: -94.262 bonds (distance) P-C4' energy: -76.880 flat angles C4'-P-C4' energy: -82.860 flat angles P-C4'-P energy: -52.665 tors. eta vs tors. theta energy: -96.914 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: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1282.200569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.200569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.200569 (E_RNA) where: Base-Base interactions energy: -851.808 where: short stacking energy: -375.741 Base-Backbone interact. energy: -1.831 local terms energy: -428.560873 where: bonds (distance) C4'-P energy: -72.883 bonds (distance) P-C4' energy: -83.409 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -60.675 tors. eta vs tors. theta energy: -119.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1143.544613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.544613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.544613 (E_RNA) where: Base-Base interactions energy: -770.793 where: short stacking energy: -328.067 Base-Backbone interact. energy: -1.490 local terms energy: -371.261857 where: bonds (distance) C4'-P energy: -66.459 bonds (distance) P-C4' energy: -78.704 flat angles C4'-P-C4' energy: -67.861 flat angles P-C4'-P energy: -51.821 tors. eta vs tors. theta energy: -106.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1140.474957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.474957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.474957 (E_RNA) where: Base-Base interactions energy: -749.434 where: short stacking energy: -323.210 Base-Backbone interact. energy: -3.238 local terms energy: -387.803341 where: bonds (distance) C4'-P energy: -71.655 bonds (distance) P-C4' energy: -75.553 flat angles C4'-P-C4' energy: -89.570 flat angles P-C4'-P energy: -55.307 tors. eta vs tors. theta energy: -95.718 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: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1017.378471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.378471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.378471 (E_RNA) where: Base-Base interactions energy: -671.237 where: short stacking energy: -295.977 Base-Backbone interact. energy: -0.443 local terms energy: -345.697771 where: bonds (distance) C4'-P energy: -67.305 bonds (distance) P-C4' energy: -68.235 flat angles C4'-P-C4' energy: -75.204 flat angles P-C4'-P energy: -51.988 tors. eta vs tors. theta energy: -82.967 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: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -760.150641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.150641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.150641 (E_RNA) where: Base-Base interactions energy: -458.845 where: short stacking energy: -213.060 Base-Backbone interact. energy: -0.938 local terms energy: -300.367472 where: bonds (distance) C4'-P energy: -73.505 bonds (distance) P-C4' energy: -74.724 flat angles C4'-P-C4' energy: -65.089 flat angles P-C4'-P energy: -42.194 tors. eta vs tors. theta energy: -44.854 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: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -575.036026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.036026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.036026 (E_RNA) where: Base-Base interactions energy: -329.404 where: short stacking energy: -159.280 Base-Backbone interact. energy: 3.420 local terms energy: -249.052613 where: bonds (distance) C4'-P energy: -66.237 bonds (distance) P-C4' energy: -76.253 flat angles C4'-P-C4' energy: -69.701 flat angles P-C4'-P energy: -30.554 tors. eta vs tors. theta energy: -6.308 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: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -457.370697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.370697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.370697 (E_RNA) where: Base-Base interactions energy: -230.342 where: short stacking energy: -124.428 Base-Backbone interact. energy: -2.414 local terms energy: -224.615287 where: bonds (distance) C4'-P energy: -44.936 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -69.474 flat angles P-C4'-P energy: -35.053 tors. eta vs tors. theta energy: -3.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -433.834747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.834747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.834747 (E_RNA) where: Base-Base interactions energy: -193.992 where: short stacking energy: -127.345 Base-Backbone interact. energy: -0.166 local terms energy: -239.677149 where: bonds (distance) C4'-P energy: -77.571 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -58.165 flat angles P-C4'-P energy: -38.554 tors. eta vs tors. theta energy: 1.534 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: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -307.459979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.459979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.459979 (E_RNA) where: Base-Base interactions energy: -102.264 where: short stacking energy: -91.677 Base-Backbone interact. energy: 0.650 local terms energy: -205.846269 where: bonds (distance) C4'-P energy: -66.113 bonds (distance) P-C4' energy: -71.237 flat angles C4'-P-C4' energy: -40.003 flat angles P-C4'-P energy: -34.126 tors. eta vs tors. theta energy: 5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1289.786881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.786881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.786881 (E_RNA) where: Base-Base interactions energy: -885.925 where: short stacking energy: -376.410 Base-Backbone interact. energy: 4.590 local terms energy: -408.451304 where: bonds (distance) C4'-P energy: -76.002 bonds (distance) P-C4' energy: -84.506 flat angles C4'-P-C4' energy: -98.510 flat angles P-C4'-P energy: -49.610 tors. eta vs tors. theta energy: -99.823 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: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1245.357812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.357812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.357812 (E_RNA) where: Base-Base interactions energy: -822.809 where: short stacking energy: -361.840 Base-Backbone interact. energy: -0.058 local terms energy: -422.490791 where: bonds (distance) C4'-P energy: -71.396 bonds (distance) P-C4' energy: -88.093 flat angles C4'-P-C4' energy: -92.223 flat angles P-C4'-P energy: -57.038 tors. eta vs tors. theta energy: -113.741 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: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1167.224213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.224213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.224213 (E_RNA) where: Base-Base interactions energy: -768.977 where: short stacking energy: -321.311 Base-Backbone interact. energy: -0.256 local terms energy: -397.990768 where: bonds (distance) C4'-P energy: -75.939 bonds (distance) P-C4' energy: -77.557 flat angles C4'-P-C4' energy: -83.588 flat angles P-C4'-P energy: -59.605 tors. eta vs tors. theta energy: -101.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1111.654196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.654196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.654196 (E_RNA) where: Base-Base interactions energy: -733.249 where: short stacking energy: -317.584 Base-Backbone interact. energy: -0.168 local terms energy: -378.236848 where: bonds (distance) C4'-P energy: -78.744 bonds (distance) P-C4' energy: -68.793 flat angles C4'-P-C4' energy: -85.269 flat angles P-C4'-P energy: -55.076 tors. eta vs tors. theta energy: -90.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -988.763398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.763398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.763398 (E_RNA) where: Base-Base interactions energy: -632.856 where: short stacking energy: -291.540 Base-Backbone interact. energy: 1.079 local terms energy: -356.986847 where: bonds (distance) C4'-P energy: -74.864 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -76.373 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -83.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -764.668020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.668020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.668020 (E_RNA) where: Base-Base interactions energy: -477.025 where: short stacking energy: -215.874 Base-Backbone interact. energy: -1.173 local terms energy: -286.470527 where: bonds (distance) C4'-P energy: -74.529 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -40.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -525.998459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.998459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.998459 (E_RNA) where: Base-Base interactions energy: -278.640 where: short stacking energy: -140.872 Base-Backbone interact. energy: -1.320 local terms energy: -246.038748 where: bonds (distance) C4'-P energy: -64.841 bonds (distance) P-C4' energy: -65.158 flat angles C4'-P-C4' energy: -65.702 flat angles P-C4'-P energy: -30.640 tors. eta vs tors. theta energy: -19.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -464.440870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.440870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.440870 (E_RNA) where: Base-Base interactions energy: -205.185 where: short stacking energy: -137.466 Base-Backbone interact. energy: -2.729 local terms energy: -256.527596 where: bonds (distance) C4'-P energy: -71.996 bonds (distance) P-C4' energy: -74.484 flat angles C4'-P-C4' energy: -62.923 flat angles P-C4'-P energy: -42.271 tors. eta vs tors. theta energy: -4.854 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: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -441.215763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.215763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.215763 (E_RNA) where: Base-Base interactions energy: -185.915 where: short stacking energy: -126.882 Base-Backbone interact. energy: -0.331 local terms energy: -254.969999 where: bonds (distance) C4'-P energy: -75.778 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -57.470 flat angles P-C4'-P energy: -47.346 tors. eta vs tors. theta energy: -4.087 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: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -360.616485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.616485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.616485 (E_RNA) where: Base-Base interactions energy: -148.585 where: short stacking energy: -107.782 Base-Backbone interact. energy: -0.012 local terms energy: -212.019933 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -61.167 flat angles C4'-P-C4' energy: -58.532 flat angles P-C4'-P energy: -23.929 tors. eta vs tors. theta energy: -0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1294.768978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.768978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.768978 (E_RNA) where: Base-Base interactions energy: -885.153 where: short stacking energy: -372.269 Base-Backbone interact. energy: -1.656 local terms energy: -407.959684 where: bonds (distance) C4'-P energy: -74.319 bonds (distance) P-C4' energy: -79.298 flat angles C4'-P-C4' energy: -91.601 flat angles P-C4'-P energy: -57.624 tors. eta vs tors. theta energy: -105.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1251.180195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.180195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.180195 (E_RNA) where: Base-Base interactions energy: -832.493 where: short stacking energy: -353.192 Base-Backbone interact. energy: -1.529 local terms energy: -417.158092 where: bonds (distance) C4'-P energy: -76.221 bonds (distance) P-C4' energy: -80.799 flat angles C4'-P-C4' energy: -87.918 flat angles P-C4'-P energy: -61.769 tors. eta vs tors. theta energy: -110.452 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: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1174.149433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.149433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.149433 (E_RNA) where: Base-Base interactions energy: -780.424 where: short stacking energy: -340.631 Base-Backbone interact. energy: 2.628 local terms energy: -396.353526 where: bonds (distance) C4'-P energy: -69.198 bonds (distance) P-C4' energy: -78.857 flat angles C4'-P-C4' energy: -88.678 flat angles P-C4'-P energy: -63.637 tors. eta vs tors. theta energy: -95.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1132.020968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.020968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.020968 (E_RNA) where: Base-Base interactions energy: -741.548 where: short stacking energy: -339.379 Base-Backbone interact. energy: -0.014 local terms energy: -390.459638 where: bonds (distance) C4'-P energy: -74.875 bonds (distance) P-C4' energy: -74.067 flat angles C4'-P-C4' energy: -84.014 flat angles P-C4'-P energy: -50.752 tors. eta vs tors. theta energy: -106.753 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: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -988.283122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.283122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.283122 (E_RNA) where: Base-Base interactions energy: -650.381 where: short stacking energy: -295.263 Base-Backbone interact. energy: 6.382 local terms energy: -344.284430 where: bonds (distance) C4'-P energy: -53.467 bonds (distance) P-C4' energy: -73.348 flat angles C4'-P-C4' energy: -77.220 flat angles P-C4'-P energy: -60.826 tors. eta vs tors. theta energy: -79.424 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: 6, replica: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -757.043278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.043278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.043278 (E_RNA) where: Base-Base interactions energy: -444.682 where: short stacking energy: -243.110 Base-Backbone interact. energy: -0.505 local terms energy: -311.856258 where: bonds (distance) C4'-P energy: -73.353 bonds (distance) P-C4' energy: -78.366 flat angles C4'-P-C4' energy: -60.192 flat angles P-C4'-P energy: -49.856 tors. eta vs tors. theta energy: -50.088 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: 198 Temperature: 1.200000 Total energy: -537.522585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.522585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.522585 (E_RNA) where: Base-Base interactions energy: -277.379 where: short stacking energy: -154.013 Base-Backbone interact. energy: -0.890 local terms energy: -259.253564 where: bonds (distance) C4'-P energy: -65.937 bonds (distance) P-C4' energy: -68.286 flat angles C4'-P-C4' energy: -64.434 flat angles P-C4'-P energy: -39.449 tors. eta vs tors. theta energy: -21.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -458.817483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.817483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.817483 (E_RNA) where: Base-Base interactions energy: -218.794 where: short stacking energy: -142.228 Base-Backbone interact. energy: -3.373 local terms energy: -236.650631 where: bonds (distance) C4'-P energy: -61.558 bonds (distance) P-C4' energy: -64.475 flat angles C4'-P-C4' energy: -49.407 flat angles P-C4'-P energy: -49.939 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: 9, replica: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -402.195588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.195588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.195588 (E_RNA) where: Base-Base interactions energy: -187.111 where: short stacking energy: -116.759 Base-Backbone interact. energy: 3.671 local terms energy: -218.755896 where: bonds (distance) C4'-P energy: -56.814 bonds (distance) P-C4' energy: -87.372 flat angles C4'-P-C4' energy: -47.604 flat angles P-C4'-P energy: -35.590 tors. eta vs tors. theta energy: 8.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -300.582059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.582059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.582059 (E_RNA) where: Base-Base interactions energy: -113.384 where: short stacking energy: -87.292 Base-Backbone interact. energy: 4.570 local terms energy: -191.768387 where: bonds (distance) C4'-P energy: -54.387 bonds (distance) P-C4' energy: -64.835 flat angles C4'-P-C4' energy: -52.744 flat angles P-C4'-P energy: -36.576 tors. eta vs tors. theta energy: 16.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1294.850931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.850931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.850931 (E_RNA) where: Base-Base interactions energy: -897.241 where: short stacking energy: -383.058 Base-Backbone interact. energy: -0.516 local terms energy: -397.094115 where: bonds (distance) C4'-P energy: -68.379 bonds (distance) P-C4' energy: -78.774 flat angles C4'-P-C4' energy: -86.414 flat angles P-C4'-P energy: -57.633 tors. eta vs tors. theta energy: -105.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1247.088906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.088906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.088906 (E_RNA) where: Base-Base interactions energy: -841.380 where: short stacking energy: -360.662 Base-Backbone interact. energy: 0.518 local terms energy: -406.227684 where: bonds (distance) C4'-P energy: -75.449 bonds (distance) P-C4' energy: -83.088 flat angles C4'-P-C4' energy: -89.239 flat angles P-C4'-P energy: -54.542 tors. eta vs tors. theta energy: -103.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1159.505559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.505559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.505559 (E_RNA) where: Base-Base interactions energy: -761.697 where: short stacking energy: -340.364 Base-Backbone interact. energy: -2.954 local terms energy: -394.853976 where: bonds (distance) C4'-P energy: -71.202 bonds (distance) P-C4' energy: -69.985 flat angles C4'-P-C4' energy: -92.465 flat angles P-C4'-P energy: -53.613 tors. eta vs tors. theta energy: -107.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1085.985552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.985552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.985552 (E_RNA) where: Base-Base interactions energy: -723.468 where: short stacking energy: -306.109 Base-Backbone interact. energy: -2.747 local terms energy: -359.770530 where: bonds (distance) C4'-P energy: -63.207 bonds (distance) P-C4' energy: -65.509 flat angles C4'-P-C4' energy: -94.535 flat angles P-C4'-P energy: -40.792 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: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -990.949606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.949606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.949606 (E_RNA) where: Base-Base interactions energy: -642.305 where: short stacking energy: -276.120 Base-Backbone interact. energy: -2.737 local terms energy: -345.907555 where: bonds (distance) C4'-P energy: -69.689 bonds (distance) P-C4' energy: -73.275 flat angles C4'-P-C4' energy: -84.072 flat angles P-C4'-P energy: -41.036 tors. eta vs tors. theta energy: -77.835 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: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -784.773504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.773504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.773504 (E_RNA) where: Base-Base interactions energy: -460.147 where: short stacking energy: -220.104 Base-Backbone interact. energy: -0.726 local terms energy: -323.900454 where: bonds (distance) C4'-P energy: -77.869 bonds (distance) P-C4' energy: -71.517 flat angles C4'-P-C4' energy: -81.474 flat angles P-C4'-P energy: -40.819 tors. eta vs tors. theta energy: -52.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -492.390513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.390513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.390513 (E_RNA) where: Base-Base interactions energy: -232.022 where: short stacking energy: -147.079 Base-Backbone interact. energy: -1.310 local terms energy: -259.058205 where: bonds (distance) C4'-P energy: -72.980 bonds (distance) P-C4' energy: -64.989 flat angles C4'-P-C4' energy: -66.891 flat angles P-C4'-P energy: -38.903 tors. eta vs tors. theta energy: -15.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -441.408381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.408381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.408381 (E_RNA) where: Base-Base interactions energy: -209.880 where: short stacking energy: -122.209 Base-Backbone interact. energy: -1.149 local terms energy: -230.378751 where: bonds (distance) C4'-P energy: -55.291 bonds (distance) P-C4' energy: -70.346 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -39.765 tors. eta vs tors. theta energy: 1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -425.267000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.267000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.267000 (E_RNA) where: Base-Base interactions energy: -200.678 where: short stacking energy: -121.201 Base-Backbone interact. energy: -2.527 local terms energy: -222.062211 where: bonds (distance) C4'-P energy: -71.660 bonds (distance) P-C4' energy: -70.327 flat angles C4'-P-C4' energy: -63.284 flat angles P-C4'-P energy: -20.514 tors. eta vs tors. theta energy: 3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -322.139278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.139278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.139278 (E_RNA) where: Base-Base interactions energy: -97.362 where: short stacking energy: -92.454 Base-Backbone interact. energy: -2.989 local terms energy: -221.788603 where: bonds (distance) C4'-P energy: -65.121 bonds (distance) P-C4' energy: -74.944 flat angles C4'-P-C4' energy: -50.491 flat angles P-C4'-P energy: -36.981 tors. eta vs tors. theta energy: 5.749 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: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1297.215096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.215096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.215096 (E_RNA) where: Base-Base interactions energy: -862.570 where: short stacking energy: -396.765 Base-Backbone interact. energy: -1.364 local terms energy: -433.280844 where: bonds (distance) C4'-P energy: -78.777 bonds (distance) P-C4' energy: -89.461 flat angles C4'-P-C4' energy: -90.365 flat angles P-C4'-P energy: -59.316 tors. eta vs tors. theta energy: -115.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1273.862394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.862394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.862394 (E_RNA) where: Base-Base interactions energy: -847.501 where: short stacking energy: -358.992 Base-Backbone interact. energy: -1.355 local terms energy: -425.006510 where: bonds (distance) C4'-P energy: -80.702 bonds (distance) P-C4' energy: -85.927 flat angles C4'-P-C4' energy: -93.617 flat angles P-C4'-P energy: -61.223 tors. eta vs tors. theta energy: -103.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1145.393926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.393926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.393926 (E_RNA) where: Base-Base interactions energy: -756.307 where: short stacking energy: -351.546 Base-Backbone interact. energy: -1.277 local terms energy: -387.809330 where: bonds (distance) C4'-P energy: -59.463 bonds (distance) P-C4' energy: -80.224 flat angles C4'-P-C4' energy: -86.949 flat angles P-C4'-P energy: -56.262 tors. eta vs tors. theta energy: -104.912 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: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1119.708880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.708880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.708880 (E_RNA) where: Base-Base interactions energy: -744.577 where: short stacking energy: -325.035 Base-Backbone interact. energy: -2.845 local terms energy: -372.286572 where: bonds (distance) C4'-P energy: -70.081 bonds (distance) P-C4' energy: -73.956 flat angles C4'-P-C4' energy: -82.833 flat angles P-C4'-P energy: -46.773 tors. eta vs tors. theta energy: -98.644 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: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1025.341158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.341158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.341158 (E_RNA) where: Base-Base interactions energy: -677.714 where: short stacking energy: -286.855 Base-Backbone interact. energy: -0.169 local terms energy: -347.458402 where: bonds (distance) C4'-P energy: -66.125 bonds (distance) P-C4' energy: -83.975 flat angles C4'-P-C4' energy: -77.406 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -78.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -820.937280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.937280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.937280 (E_RNA) where: Base-Base interactions energy: -490.548 where: short stacking energy: -253.238 Base-Backbone interact. energy: -2.442 local terms energy: -327.947035 where: bonds (distance) C4'-P energy: -80.804 bonds (distance) P-C4' energy: -68.055 flat angles C4'-P-C4' energy: -78.911 flat angles P-C4'-P energy: -49.872 tors. eta vs tors. theta energy: -50.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -498.153071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.153071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.153071 (E_RNA) where: Base-Base interactions energy: -237.356 where: short stacking energy: -164.881 Base-Backbone interact. energy: 0.125 local terms energy: -260.922299 where: bonds (distance) C4'-P energy: -62.487 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -60.591 flat angles P-C4'-P energy: -49.890 tors. eta vs tors. theta energy: -22.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -455.898681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.898681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.898681 (E_RNA) where: Base-Base interactions energy: -221.336 where: short stacking energy: -132.023 Base-Backbone interact. energy: -1.042 local terms energy: -233.520319 where: bonds (distance) C4'-P energy: -58.844 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -60.745 flat angles P-C4'-P energy: -44.686 tors. eta vs tors. theta energy: 0.987 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: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -435.163252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.163252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.163252 (E_RNA) where: Base-Base interactions energy: -200.062 where: short stacking energy: -115.704 Base-Backbone interact. energy: 2.056 local terms energy: -237.156351 where: bonds (distance) C4'-P energy: -61.706 bonds (distance) P-C4' energy: -71.467 flat angles C4'-P-C4' energy: -60.895 flat angles P-C4'-P energy: -39.936 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -328.004251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.004251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.004251 (E_RNA) where: Base-Base interactions energy: -105.194 where: short stacking energy: -77.095 Base-Backbone interact. energy: -0.547 local terms energy: -222.263503 where: bonds (distance) C4'-P energy: -68.110 bonds (distance) P-C4' energy: -69.236 flat angles C4'-P-C4' energy: -48.533 flat angles P-C4'-P energy: -49.364 tors. eta vs tors. theta energy: 12.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1295.220942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.220942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.220942 (E_RNA) where: Base-Base interactions energy: -871.241 where: short stacking energy: -378.414 Base-Backbone interact. energy: -1.419 local terms energy: -422.560799 where: bonds (distance) C4'-P energy: -79.737 bonds (distance) P-C4' energy: -77.246 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -53.986 tors. eta vs tors. theta energy: -124.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1255.836201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.836201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.836201 (E_RNA) where: Base-Base interactions energy: -847.394 where: short stacking energy: -346.015 Base-Backbone interact. energy: 7.001 local terms energy: -415.443529 where: bonds (distance) C4'-P energy: -67.981 bonds (distance) P-C4' energy: -89.368 flat angles C4'-P-C4' energy: -93.598 flat angles P-C4'-P energy: -61.334 tors. eta vs tors. theta energy: -103.162 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: 201 Temperature: 1.000000 Total energy: -1146.680560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.680560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.680560 (E_RNA) where: Base-Base interactions energy: -767.705 where: short stacking energy: -309.368 Base-Backbone interact. energy: 3.555 local terms energy: -382.531009 where: bonds (distance) C4'-P energy: -79.628 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -71.487 flat angles P-C4'-P energy: -54.052 tors. eta vs tors. theta energy: -96.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1120.021112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.021112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.021112 (E_RNA) where: Base-Base interactions energy: -728.321 where: short stacking energy: -324.865 Base-Backbone interact. energy: -0.712 local terms energy: -390.988450 where: bonds (distance) C4'-P energy: -70.582 bonds (distance) P-C4' energy: -81.691 flat angles C4'-P-C4' energy: -88.119 flat angles P-C4'-P energy: -57.598 tors. eta vs tors. theta energy: -92.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1024.848159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.848159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.848159 (E_RNA) where: Base-Base interactions energy: -659.372 where: short stacking energy: -296.945 Base-Backbone interact. energy: -2.236 local terms energy: -363.239362 where: bonds (distance) C4'-P energy: -76.686 bonds (distance) P-C4' energy: -69.798 flat angles C4'-P-C4' energy: -85.901 flat angles P-C4'-P energy: -43.394 tors. eta vs tors. theta energy: -87.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -757.710259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.710259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.710259 (E_RNA) where: Base-Base interactions energy: -450.335 where: short stacking energy: -235.922 Base-Backbone interact. energy: 2.445 local terms energy: -309.819865 where: bonds (distance) C4'-P energy: -66.531 bonds (distance) P-C4' energy: -69.295 flat angles C4'-P-C4' energy: -75.897 flat angles P-C4'-P energy: -46.007 tors. eta vs tors. theta energy: -52.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -484.234573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.234573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.234573 (E_RNA) where: Base-Base interactions energy: -207.169 where: short stacking energy: -128.008 Base-Backbone interact. energy: -1.676 local terms energy: -275.389175 where: bonds (distance) C4'-P energy: -72.871 bonds (distance) P-C4' energy: -75.745 flat angles C4'-P-C4' energy: -74.548 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -441.597189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.597189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.597189 (E_RNA) where: Base-Base interactions energy: -206.148 where: short stacking energy: -132.527 Base-Backbone interact. energy: -4.124 local terms energy: -231.324771 where: bonds (distance) C4'-P energy: -58.488 bonds (distance) P-C4' energy: -66.835 flat angles C4'-P-C4' energy: -68.303 flat angles P-C4'-P energy: -43.422 tors. eta vs tors. theta energy: 5.724 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: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -431.350996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.350996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.350996 (E_RNA) where: Base-Base interactions energy: -180.449 where: short stacking energy: -114.711 Base-Backbone interact. energy: -1.467 local terms energy: -249.435809 where: bonds (distance) C4'-P energy: -60.684 bonds (distance) P-C4' energy: -69.095 flat angles C4'-P-C4' energy: -65.043 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -14.256 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: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -314.767475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.767475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.767475 (E_RNA) where: Base-Base interactions energy: -100.362 where: short stacking energy: -82.372 Base-Backbone interact. energy: -2.071 local terms energy: -212.334374 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -70.996 flat angles C4'-P-C4' energy: -48.740 flat angles P-C4'-P energy: -36.724 tors. eta vs tors. theta energy: 12.913 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: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1290.585356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.585356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.585356 (E_RNA) where: Base-Base interactions energy: -849.584 where: short stacking energy: -370.406 Base-Backbone interact. energy: -1.001 local terms energy: -440.000101 where: bonds (distance) C4'-P energy: -80.790 bonds (distance) P-C4' energy: -74.562 flat angles C4'-P-C4' energy: -91.024 flat angles P-C4'-P energy: -66.926 tors. eta vs tors. theta energy: -126.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1285.674922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.674922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.674922 (E_RNA) where: Base-Base interactions energy: -859.315 where: short stacking energy: -363.757 Base-Backbone interact. energy: -1.484 local terms energy: -424.876352 where: bonds (distance) C4'-P energy: -71.906 bonds (distance) P-C4' energy: -90.755 flat angles C4'-P-C4' energy: -84.221 flat angles P-C4'-P energy: -69.523 tors. eta vs tors. theta energy: -108.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1176.828137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.828137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.828137 (E_RNA) where: Base-Base interactions energy: -774.946 where: short stacking energy: -328.425 Base-Backbone interact. energy: -0.972 local terms energy: -400.910682 where: bonds (distance) C4'-P energy: -82.234 bonds (distance) P-C4' energy: -81.216 flat angles C4'-P-C4' energy: -90.853 flat angles P-C4'-P energy: -45.899 tors. eta vs tors. theta energy: -100.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1098.917763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.917763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.917763 (E_RNA) where: Base-Base interactions energy: -712.817 where: short stacking energy: -325.722 Base-Backbone interact. energy: -1.492 local terms energy: -384.608880 where: bonds (distance) C4'-P energy: -76.346 bonds (distance) P-C4' energy: -75.800 flat angles C4'-P-C4' energy: -87.810 flat angles P-C4'-P energy: -52.082 tors. eta vs tors. theta energy: -92.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -997.949907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.949907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.949907 (E_RNA) where: Base-Base interactions energy: -650.689 where: short stacking energy: -292.713 Base-Backbone interact. energy: 0.666 local terms energy: -347.927498 where: bonds (distance) C4'-P energy: -69.417 bonds (distance) P-C4' energy: -62.157 flat angles C4'-P-C4' energy: -79.461 flat angles P-C4'-P energy: -45.692 tors. eta vs tors. theta energy: -91.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -724.629612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.629612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.629612 (E_RNA) where: Base-Base interactions energy: -417.821 where: short stacking energy: -208.365 Base-Backbone interact. energy: -1.706 local terms energy: -305.102440 where: bonds (distance) C4'-P energy: -69.063 bonds (distance) P-C4' energy: -76.475 flat angles C4'-P-C4' energy: -67.310 flat angles P-C4'-P energy: -41.393 tors. eta vs tors. theta energy: -50.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -549.417779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.417779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.417779 (E_RNA) where: Base-Base interactions energy: -275.637 where: short stacking energy: -163.718 Base-Backbone interact. energy: 2.530 local terms energy: -276.311641 where: bonds (distance) C4'-P energy: -72.882 bonds (distance) P-C4' energy: -66.021 flat angles C4'-P-C4' energy: -75.497 flat angles P-C4'-P energy: -47.003 tors. eta vs tors. theta energy: -14.909 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: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -437.507444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.507444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.507444 (E_RNA) where: Base-Base interactions energy: -204.346 where: short stacking energy: -149.778 Base-Backbone interact. energy: -0.193 local terms energy: -232.967905 where: bonds (distance) C4'-P energy: -54.491 bonds (distance) P-C4' energy: -76.031 flat angles C4'-P-C4' energy: -58.432 flat angles P-C4'-P energy: -32.388 tors. eta vs tors. theta energy: -11.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -409.936352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.936352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.936352 (E_RNA) where: Base-Base interactions energy: -187.265 where: short stacking energy: -118.438 Base-Backbone interact. energy: -1.012 local terms energy: -221.659811 where: bonds (distance) C4'-P energy: -65.773 bonds (distance) P-C4' energy: -56.913 flat angles C4'-P-C4' energy: -48.511 flat angles P-C4'-P energy: -36.011 tors. eta vs tors. theta energy: -14.452 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: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -361.327898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.327898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.327898 (E_RNA) where: Base-Base interactions energy: -140.443 where: short stacking energy: -98.487 Base-Backbone interact. energy: -1.867 local terms energy: -219.017848 where: bonds (distance) C4'-P energy: -51.528 bonds (distance) P-C4' energy: -71.221 flat angles C4'-P-C4' energy: -64.917 flat angles P-C4'-P energy: -25.813 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1292.318822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.318822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.318822 (E_RNA) where: Base-Base interactions energy: -848.128 where: short stacking energy: -369.162 Base-Backbone interact. energy: -1.734 local terms energy: -442.456085 where: bonds (distance) C4'-P energy: -84.398 bonds (distance) P-C4' energy: -77.294 flat angles C4'-P-C4' energy: -92.584 flat angles P-C4'-P energy: -73.063 tors. eta vs tors. theta energy: -115.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1279.316762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.316762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.316762 (E_RNA) where: Base-Base interactions energy: -862.925 where: short stacking energy: -373.730 Base-Backbone interact. energy: 3.184 local terms energy: -419.575931 where: bonds (distance) C4'-P energy: -85.498 bonds (distance) P-C4' energy: -80.743 flat angles C4'-P-C4' energy: -87.892 flat angles P-C4'-P energy: -55.936 tors. eta vs tors. theta energy: -109.508 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: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1156.509557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.509557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.509557 (E_RNA) where: Base-Base interactions energy: -761.586 where: short stacking energy: -344.602 Base-Backbone interact. energy: 0.072 local terms energy: -394.995781 where: bonds (distance) C4'-P energy: -68.824 bonds (distance) P-C4' energy: -83.790 flat angles C4'-P-C4' energy: -93.377 flat angles P-C4'-P energy: -49.808 tors. eta vs tors. theta energy: -99.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1116.971853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.971853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.971853 (E_RNA) where: Base-Base interactions energy: -735.930 where: short stacking energy: -343.717 Base-Backbone interact. energy: -1.338 local terms energy: -379.703857 where: bonds (distance) C4'-P energy: -80.892 bonds (distance) P-C4' energy: -73.090 flat angles C4'-P-C4' energy: -80.422 flat angles P-C4'-P energy: -54.715 tors. eta vs tors. theta energy: -90.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1039.806119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.806119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.806119 (E_RNA) where: Base-Base interactions energy: -658.202 where: short stacking energy: -282.289 Base-Backbone interact. energy: 0.034 local terms energy: -381.638029 where: bonds (distance) C4'-P energy: -80.508 bonds (distance) P-C4' energy: -81.297 flat angles C4'-P-C4' energy: -70.178 flat angles P-C4'-P energy: -54.425 tors. eta vs tors. theta energy: -95.231 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: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -709.244980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.244980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.244980 (E_RNA) where: Base-Base interactions energy: -400.233 where: short stacking energy: -223.456 Base-Backbone interact. energy: -0.833 local terms energy: -308.178799 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -79.861 flat angles C4'-P-C4' energy: -81.543 flat angles P-C4'-P energy: -41.314 tors. eta vs tors. theta energy: -45.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -590.247140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.247140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.247140 (E_RNA) where: Base-Base interactions energy: -351.611 where: short stacking energy: -185.929 Base-Backbone interact. energy: -2.902 local terms energy: -235.734106 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -69.055 flat angles C4'-P-C4' energy: -52.642 flat angles P-C4'-P energy: -20.469 tors. eta vs tors. theta energy: -26.082 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: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -448.840543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.840543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.840543 (E_RNA) where: Base-Base interactions energy: -189.720 where: short stacking energy: -119.141 Base-Backbone interact. energy: -0.929 local terms energy: -258.191450 where: bonds (distance) C4'-P energy: -79.737 bonds (distance) P-C4' energy: -69.208 flat angles C4'-P-C4' energy: -69.584 flat angles P-C4'-P energy: -42.153 tors. eta vs tors. theta energy: 2.490 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: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -410.257996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.257996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.257996 (E_RNA) where: Base-Base interactions energy: -174.189 where: short stacking energy: -99.445 Base-Backbone interact. energy: -2.098 local terms energy: -233.971066 where: bonds (distance) C4'-P energy: -69.547 bonds (distance) P-C4' energy: -76.261 flat angles C4'-P-C4' energy: -60.567 flat angles P-C4'-P energy: -21.985 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -317.254184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.254184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.254184 (E_RNA) where: Base-Base interactions energy: -108.315 where: short stacking energy: -88.244 Base-Backbone interact. energy: -0.581 local terms energy: -208.357634 where: bonds (distance) C4'-P energy: -75.186 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -51.753 flat angles P-C4'-P energy: -27.385 tors. eta vs tors. theta energy: 7.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1317.976866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.976866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.976866 (E_RNA) where: Base-Base interactions energy: -908.367 where: short stacking energy: -387.581 Base-Backbone interact. energy: 1.113 local terms energy: -410.723433 where: bonds (distance) C4'-P energy: -67.254 bonds (distance) P-C4' energy: -75.763 flat angles C4'-P-C4' energy: -94.247 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -115.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1239.172490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.172490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.172490 (E_RNA) where: Base-Base interactions energy: -845.647 where: short stacking energy: -342.147 Base-Backbone interact. energy: 0.632 local terms energy: -394.157934 where: bonds (distance) C4'-P energy: -77.677 bonds (distance) P-C4' energy: -71.668 flat angles C4'-P-C4' energy: -88.528 flat angles P-C4'-P energy: -49.444 tors. eta vs tors. theta energy: -106.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1144.893499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.893499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.893499 (E_RNA) where: Base-Base interactions energy: -751.056 where: short stacking energy: -335.698 Base-Backbone interact. energy: -0.557 local terms energy: -393.281291 where: bonds (distance) C4'-P energy: -75.163 bonds (distance) P-C4' energy: -91.653 flat angles C4'-P-C4' energy: -81.461 flat angles P-C4'-P energy: -57.173 tors. eta vs tors. theta energy: -87.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1091.137411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.137411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.137411 (E_RNA) where: Base-Base interactions energy: -721.636 where: short stacking energy: -334.934 Base-Backbone interact. energy: -3.220 local terms energy: -366.281142 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -74.997 flat angles C4'-P-C4' energy: -77.993 flat angles P-C4'-P energy: -56.635 tors. eta vs tors. theta energy: -95.538 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: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1003.824751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.824751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.824751 (E_RNA) where: Base-Base interactions energy: -634.997 where: short stacking energy: -294.120 Base-Backbone interact. energy: 1.113 local terms energy: -369.940173 where: bonds (distance) C4'-P energy: -75.854 bonds (distance) P-C4' energy: -80.340 flat angles C4'-P-C4' energy: -70.223 flat angles P-C4'-P energy: -51.728 tors. eta vs tors. theta energy: -91.796 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: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -714.947520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.947520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.947520 (E_RNA) where: Base-Base interactions energy: -447.515 where: short stacking energy: -196.507 Base-Backbone interact. energy: 0.138 local terms energy: -267.571360 where: bonds (distance) C4'-P energy: -74.826 bonds (distance) P-C4' energy: -64.020 flat angles C4'-P-C4' energy: -63.372 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -24.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -567.284469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.284469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.284469 (E_RNA) where: Base-Base interactions energy: -306.581 where: short stacking energy: -163.669 Base-Backbone interact. energy: 1.057 local terms energy: -261.760732 where: bonds (distance) C4'-P energy: -72.843 bonds (distance) P-C4' energy: -66.858 flat angles C4'-P-C4' energy: -51.432 flat angles P-C4'-P energy: -43.895 tors. eta vs tors. theta energy: -26.732 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: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -460.790149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.790149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.790149 (E_RNA) where: Base-Base interactions energy: -239.048 where: short stacking energy: -136.760 Base-Backbone interact. energy: 1.630 local terms energy: -223.372117 where: bonds (distance) C4'-P energy: -64.774 bonds (distance) P-C4' energy: -63.880 flat angles C4'-P-C4' energy: -57.849 flat angles P-C4'-P energy: -31.409 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -397.977339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.977339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.977339 (E_RNA) where: Base-Base interactions energy: -151.893 where: short stacking energy: -103.087 Base-Backbone interact. energy: 2.064 local terms energy: -248.148595 where: bonds (distance) C4'-P energy: -72.102 bonds (distance) P-C4' energy: -79.649 flat angles C4'-P-C4' energy: -53.424 flat angles P-C4'-P energy: -47.136 tors. eta vs tors. theta energy: 4.162 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: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -290.315662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.315662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.315662 (E_RNA) where: Base-Base interactions energy: -88.519 where: short stacking energy: -67.728 Base-Backbone interact. energy: -1.812 local terms energy: -199.984983 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -72.191 flat angles C4'-P-C4' energy: -60.591 flat angles P-C4'-P energy: -22.501 tors. eta vs tors. theta energy: 13.905 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: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1309.047399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.047399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.047399 (E_RNA) where: Base-Base interactions energy: -899.312 where: short stacking energy: -392.043 Base-Backbone interact. energy: 1.081 local terms energy: -410.816959 where: bonds (distance) C4'-P energy: -75.626 bonds (distance) P-C4' energy: -71.329 flat angles C4'-P-C4' energy: -90.088 flat angles P-C4'-P energy: -64.299 tors. eta vs tors. theta energy: -109.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1285.417925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.417925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.417925 (E_RNA) where: Base-Base interactions energy: -862.003 where: short stacking energy: -396.310 Base-Backbone interact. energy: 0.801 local terms energy: -424.215550 where: bonds (distance) C4'-P energy: -77.721 bonds (distance) P-C4' energy: -83.799 flat angles C4'-P-C4' energy: -81.160 flat angles P-C4'-P energy: -60.616 tors. eta vs tors. theta energy: -120.919 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: 205 Temperature: 1.000000 Total energy: -1184.668624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.668624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.668624 (E_RNA) where: Base-Base interactions energy: -796.706 where: short stacking energy: -353.044 Base-Backbone interact. energy: 2.662 local terms energy: -390.625140 where: bonds (distance) C4'-P energy: -67.682 bonds (distance) P-C4' energy: -90.120 flat angles C4'-P-C4' energy: -73.505 flat angles P-C4'-P energy: -54.043 tors. eta vs tors. theta energy: -105.275 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: 205 Temperature: 1.050000 Total energy: -1089.669293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.669293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.669293 (E_RNA) where: Base-Base interactions energy: -709.903 where: short stacking energy: -335.525 Base-Backbone interact. energy: -3.197 local terms energy: -376.569041 where: bonds (distance) C4'-P energy: -80.393 bonds (distance) P-C4' energy: -82.344 flat angles C4'-P-C4' energy: -67.394 flat angles P-C4'-P energy: -46.092 tors. eta vs tors. theta energy: -100.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1043.827650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.827650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.827650 (E_RNA) where: Base-Base interactions energy: -685.978 where: short stacking energy: -305.631 Base-Backbone interact. energy: -0.792 local terms energy: -357.057848 where: bonds (distance) C4'-P energy: -63.156 bonds (distance) P-C4' energy: -75.689 flat angles C4'-P-C4' energy: -84.134 flat angles P-C4'-P energy: -46.726 tors. eta vs tors. theta energy: -87.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -715.421222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.421222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.421222 (E_RNA) where: Base-Base interactions energy: -426.172 where: short stacking energy: -224.484 Base-Backbone interact. energy: -1.451 local terms energy: -287.799115 where: bonds (distance) C4'-P energy: -77.810 bonds (distance) P-C4' energy: -82.832 flat angles C4'-P-C4' energy: -54.448 flat angles P-C4'-P energy: -42.511 tors. eta vs tors. theta energy: -30.200 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: 9 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -597.545667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.545667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.545667 (E_RNA) where: Base-Base interactions energy: -322.628 where: short stacking energy: -184.282 Base-Backbone interact. energy: 2.539 local terms energy: -277.457121 where: bonds (distance) C4'-P energy: -69.206 bonds (distance) P-C4' energy: -73.369 flat angles C4'-P-C4' energy: -63.746 flat angles P-C4'-P energy: -45.539 tors. eta vs tors. theta energy: -25.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -476.832053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.832053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.832053 (E_RNA) where: Base-Base interactions energy: -228.733 where: short stacking energy: -142.466 Base-Backbone interact. energy: -1.677 local terms energy: -246.422150 where: bonds (distance) C4'-P energy: -62.133 bonds (distance) P-C4' energy: -63.469 flat angles C4'-P-C4' energy: -79.774 flat angles P-C4'-P energy: -38.086 tors. eta vs tors. theta energy: -2.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -407.729993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.729993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.729993 (E_RNA) where: Base-Base interactions energy: -171.609 where: short stacking energy: -112.719 Base-Backbone interact. energy: -2.180 local terms energy: -233.941089 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -67.535 flat angles C4'-P-C4' energy: -66.242 flat angles P-C4'-P energy: -41.990 tors. eta vs tors. theta energy: 5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -317.253402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.253402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.253402 (E_RNA) where: Base-Base interactions energy: -97.582 where: short stacking energy: -78.787 Base-Backbone interact. energy: -1.153 local terms energy: -218.517573 where: bonds (distance) C4'-P energy: -61.429 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -60.202 flat angles P-C4'-P energy: -28.521 tors. eta vs tors. theta energy: 23.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1314.726206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.726206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.726206 (E_RNA) where: Base-Base interactions energy: -889.949 where: short stacking energy: -377.774 Base-Backbone interact. energy: -0.029 local terms energy: -424.748316 where: bonds (distance) C4'-P energy: -84.226 bonds (distance) P-C4' energy: -83.351 flat angles C4'-P-C4' energy: -89.940 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -104.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1254.210507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.210507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.210507 (E_RNA) where: Base-Base interactions energy: -834.265 where: short stacking energy: -357.334 Base-Backbone interact. energy: -3.080 local terms energy: -416.865572 where: bonds (distance) C4'-P energy: -76.139 bonds (distance) P-C4' energy: -77.962 flat angles C4'-P-C4' energy: -78.249 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -114.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1195.076708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.076708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.076708 (E_RNA) where: Base-Base interactions energy: -815.876 where: short stacking energy: -342.915 Base-Backbone interact. energy: -0.118 local terms energy: -379.083020 where: bonds (distance) C4'-P energy: -66.402 bonds (distance) P-C4' energy: -72.609 flat angles C4'-P-C4' energy: -85.519 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -98.569 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: 206 Temperature: 1.050000 Total energy: -1110.353509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.353509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.353509 (E_RNA) where: Base-Base interactions energy: -725.399 where: short stacking energy: -319.135 Base-Backbone interact. energy: -1.229 local terms energy: -383.725963 where: bonds (distance) C4'-P energy: -73.704 bonds (distance) P-C4' energy: -77.458 flat angles C4'-P-C4' energy: -83.321 flat angles P-C4'-P energy: -51.232 tors. eta vs tors. theta energy: -98.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1055.521052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.521052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.521052 (E_RNA) where: Base-Base interactions energy: -700.980 where: short stacking energy: -319.141 Base-Backbone interact. energy: 0.632 local terms energy: -355.172901 where: bonds (distance) C4'-P energy: -60.405 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -89.450 flat angles P-C4'-P energy: -51.330 tors. eta vs tors. theta energy: -84.994 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: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -716.604452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.604452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.604452 (E_RNA) where: Base-Base interactions energy: -420.243 where: short stacking energy: -193.299 Base-Backbone interact. energy: 1.321 local terms energy: -297.681639 where: bonds (distance) C4'-P energy: -81.247 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -78.604 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -24.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -578.711383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.711383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.711383 (E_RNA) where: Base-Base interactions energy: -297.783 where: short stacking energy: -146.009 Base-Backbone interact. energy: -1.440 local terms energy: -279.488193 where: bonds (distance) C4'-P energy: -56.516 bonds (distance) P-C4' energy: -74.031 flat angles C4'-P-C4' energy: -67.886 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -21.533 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: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -443.507203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.507203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.507203 (E_RNA) where: Base-Base interactions energy: -178.032 where: short stacking energy: -128.030 Base-Backbone interact. energy: 2.015 local terms energy: -267.490869 where: bonds (distance) C4'-P energy: -68.329 bonds (distance) P-C4' energy: -81.925 flat angles C4'-P-C4' energy: -65.071 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -8.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -442.307387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.307387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.307387 (E_RNA) where: Base-Base interactions energy: -224.649 where: short stacking energy: -118.158 Base-Backbone interact. energy: 0.681 local terms energy: -218.338994 where: bonds (distance) C4'-P energy: -70.081 bonds (distance) P-C4' energy: -69.173 flat angles C4'-P-C4' energy: -60.137 flat angles P-C4'-P energy: -28.414 tors. eta vs tors. theta energy: 9.467 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: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -340.564267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.564267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.564267 (E_RNA) where: Base-Base interactions energy: -152.217 where: short stacking energy: -115.446 Base-Backbone interact. energy: -0.608 local terms energy: -187.738774 where: bonds (distance) C4'-P energy: -66.416 bonds (distance) P-C4' energy: -56.658 flat angles C4'-P-C4' energy: -45.806 flat angles P-C4'-P energy: -33.033 tors. eta vs tors. theta energy: 14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1323.181330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.181330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.181330 (E_RNA) where: Base-Base interactions energy: -905.623 where: short stacking energy: -363.454 Base-Backbone interact. energy: -2.673 local terms energy: -414.884812 where: bonds (distance) C4'-P energy: -80.229 bonds (distance) P-C4' energy: -78.986 flat angles C4'-P-C4' energy: -87.546 flat angles P-C4'-P energy: -56.878 tors. eta vs tors. theta energy: -111.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1217.116338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.116338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.116338 (E_RNA) where: Base-Base interactions energy: -825.608 where: short stacking energy: -330.491 Base-Backbone interact. energy: -2.258 local terms energy: -389.250024 where: bonds (distance) C4'-P energy: -76.380 bonds (distance) P-C4' energy: -82.108 flat angles C4'-P-C4' energy: -78.844 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: -99.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1236.632728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.632728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.632728 (E_RNA) where: Base-Base interactions energy: -815.681 where: short stacking energy: -356.324 Base-Backbone interact. energy: 0.233 local terms energy: -421.184842 where: bonds (distance) C4'-P energy: -80.572 bonds (distance) P-C4' energy: -83.915 flat angles C4'-P-C4' energy: -86.082 flat angles P-C4'-P energy: -52.563 tors. eta vs tors. theta energy: -118.053 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: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1073.751387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.751387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.751387 (E_RNA) where: Base-Base interactions energy: -702.331 where: short stacking energy: -313.390 Base-Backbone interact. energy: -0.341 local terms energy: -371.079918 where: bonds (distance) C4'-P energy: -67.798 bonds (distance) P-C4' energy: -75.515 flat angles C4'-P-C4' energy: -75.689 flat angles P-C4'-P energy: -52.131 tors. eta vs tors. theta energy: -99.947 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: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1121.601173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.601173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.601173 (E_RNA) where: Base-Base interactions energy: -746.451 where: short stacking energy: -343.164 Base-Backbone interact. energy: 4.553 local terms energy: -379.703317 where: bonds (distance) C4'-P energy: -75.560 bonds (distance) P-C4' energy: -68.520 flat angles C4'-P-C4' energy: -82.290 flat angles P-C4'-P energy: -53.085 tors. eta vs tors. theta energy: -100.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -680.125202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.125202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.125202 (E_RNA) where: Base-Base interactions energy: -395.885 where: short stacking energy: -191.646 Base-Backbone interact. energy: -0.626 local terms energy: -283.614291 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -70.141 flat angles C4'-P-C4' energy: -72.754 flat angles P-C4'-P energy: -48.846 tors. eta vs tors. theta energy: -27.365 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: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -707.154535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.154535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.154535 (E_RNA) where: Base-Base interactions energy: -417.914 where: short stacking energy: -206.899 Base-Backbone interact. energy: 0.272 local terms energy: -289.512646 where: bonds (distance) C4'-P energy: -64.101 bonds (distance) P-C4' energy: -61.625 flat angles C4'-P-C4' energy: -69.938 flat angles P-C4'-P energy: -50.341 tors. eta vs tors. theta energy: -43.507 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: 8, replica: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -456.968269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.968269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.968269 (E_RNA) where: Base-Base interactions energy: -235.896 where: short stacking energy: -131.942 Base-Backbone interact. energy: -1.286 local terms energy: -219.787124 where: bonds (distance) C4'-P energy: -66.149 bonds (distance) P-C4' energy: -66.876 flat angles C4'-P-C4' energy: -53.790 flat angles P-C4'-P energy: -33.510 tors. eta vs tors. theta energy: 0.537 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: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -411.179296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.179296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.179296 (E_RNA) where: Base-Base interactions energy: -187.609 where: short stacking energy: -113.958 Base-Backbone interact. energy: -0.700 local terms energy: -222.870285 where: bonds (distance) C4'-P energy: -73.511 bonds (distance) P-C4' energy: -59.039 flat angles C4'-P-C4' energy: -64.144 flat angles P-C4'-P energy: -21.241 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: 10, replica: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -315.847075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.847075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.847075 (E_RNA) where: Base-Base interactions energy: -108.593 where: short stacking energy: -63.418 Base-Backbone interact. energy: 1.563 local terms energy: -208.817261 where: bonds (distance) C4'-P energy: -61.704 bonds (distance) P-C4' energy: -78.855 flat angles C4'-P-C4' energy: -56.786 flat angles P-C4'-P energy: -27.364 tors. eta vs tors. theta energy: 15.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1288.247810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.247810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.247810 (E_RNA) where: Base-Base interactions energy: -884.380 where: short stacking energy: -350.470 Base-Backbone interact. energy: 2.183 local terms energy: -406.051047 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -77.360 flat angles C4'-P-C4' energy: -85.240 flat angles P-C4'-P energy: -69.727 tors. eta vs tors. theta energy: -100.755 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: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1202.055600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.055600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.055600 (E_RNA) where: Base-Base interactions energy: -815.147 where: short stacking energy: -345.186 Base-Backbone interact. energy: 0.109 local terms energy: -387.017495 where: bonds (distance) C4'-P energy: -76.081 bonds (distance) P-C4' energy: -91.701 flat angles C4'-P-C4' energy: -74.060 flat angles P-C4'-P energy: -43.206 tors. eta vs tors. theta energy: -101.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1244.946157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.946157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.946157 (E_RNA) where: Base-Base interactions energy: -818.957 where: short stacking energy: -352.646 Base-Backbone interact. energy: -1.613 local terms energy: -424.376195 where: bonds (distance) C4'-P energy: -81.376 bonds (distance) P-C4' energy: -74.832 flat angles C4'-P-C4' energy: -87.031 flat angles P-C4'-P energy: -61.245 tors. eta vs tors. theta energy: -119.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1085.718727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.718727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.718727 (E_RNA) where: Base-Base interactions energy: -708.305 where: short stacking energy: -285.246 Base-Backbone interact. energy: -3.202 local terms energy: -374.211577 where: bonds (distance) C4'-P energy: -81.580 bonds (distance) P-C4' energy: -73.327 flat angles C4'-P-C4' energy: -84.769 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -84.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1083.381362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.381362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.381362 (E_RNA) where: Base-Base interactions energy: -707.700 where: short stacking energy: -305.023 Base-Backbone interact. energy: -2.509 local terms energy: -373.171932 where: bonds (distance) C4'-P energy: -73.945 bonds (distance) P-C4' energy: -67.940 flat angles C4'-P-C4' energy: -80.335 flat angles P-C4'-P energy: -55.305 tors. eta vs tors. theta energy: -95.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -689.423067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.423067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.423067 (E_RNA) where: Base-Base interactions energy: -408.421 where: short stacking energy: -207.031 Base-Backbone interact. energy: -0.989 local terms energy: -280.013169 where: bonds (distance) C4'-P energy: -81.898 bonds (distance) P-C4' energy: -71.710 flat angles C4'-P-C4' energy: -66.541 flat angles P-C4'-P energy: -33.246 tors. eta vs tors. theta energy: -26.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -696.974352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.974352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.974352 (E_RNA) where: Base-Base interactions energy: -416.835 where: short stacking energy: -194.283 Base-Backbone interact. energy: 0.386 local terms energy: -280.524977 where: bonds (distance) C4'-P energy: -63.391 bonds (distance) P-C4' energy: -75.117 flat angles C4'-P-C4' energy: -64.857 flat angles P-C4'-P energy: -40.070 tors. eta vs tors. theta energy: -37.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -435.031762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.031762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.031762 (E_RNA) where: Base-Base interactions energy: -212.248 where: short stacking energy: -119.691 Base-Backbone interact. energy: -1.337 local terms energy: -221.447400 where: bonds (distance) C4'-P energy: -60.833 bonds (distance) P-C4' energy: -72.610 flat angles C4'-P-C4' energy: -47.903 flat angles P-C4'-P energy: -32.943 tors. eta vs tors. theta energy: -7.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -407.318862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.318862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.318862 (E_RNA) where: Base-Base interactions energy: -178.080 where: short stacking energy: -112.066 Base-Backbone interact. energy: -2.712 local terms energy: -226.526892 where: bonds (distance) C4'-P energy: -55.730 bonds (distance) P-C4' energy: -66.249 flat angles C4'-P-C4' energy: -65.938 flat angles P-C4'-P energy: -42.562 tors. eta vs tors. theta energy: 3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -324.033319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.033319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.033319 (E_RNA) where: Base-Base interactions energy: -113.460 where: short stacking energy: -106.169 Base-Backbone interact. energy: 0.168 local terms energy: -210.741233 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -73.918 flat angles C4'-P-C4' energy: -60.269 flat angles P-C4'-P energy: -23.311 tors. eta vs tors. theta energy: 6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1319.980426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.980426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.980426 (E_RNA) where: Base-Base interactions energy: -914.077 where: short stacking energy: -345.535 Base-Backbone interact. energy: -1.948 local terms energy: -403.955431 where: bonds (distance) C4'-P energy: -78.222 bonds (distance) P-C4' energy: -80.803 flat angles C4'-P-C4' energy: -90.521 flat angles P-C4'-P energy: -57.993 tors. eta vs tors. theta energy: -96.416 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: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1191.183476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.183476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.183476 (E_RNA) where: Base-Base interactions energy: -803.825 where: short stacking energy: -359.229 Base-Backbone interact. energy: -1.435 local terms energy: -385.923735 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -74.367 flat angles C4'-P-C4' energy: -90.003 flat angles P-C4'-P energy: -52.928 tors. eta vs tors. theta energy: -98.516 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: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1233.321820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.321820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.321820 (E_RNA) where: Base-Base interactions energy: -819.557 where: short stacking energy: -366.853 Base-Backbone interact. energy: -1.561 local terms energy: -412.204018 where: bonds (distance) C4'-P energy: -77.646 bonds (distance) P-C4' energy: -75.064 flat angles C4'-P-C4' energy: -85.203 flat angles P-C4'-P energy: -61.424 tors. eta vs tors. theta energy: -112.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1085.221419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.221419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.221419 (E_RNA) where: Base-Base interactions energy: -762.888 where: short stacking energy: -330.806 Base-Backbone interact. energy: -1.468 local terms energy: -320.865686 where: bonds (distance) C4'-P energy: -59.228 bonds (distance) P-C4' energy: -61.192 flat angles C4'-P-C4' energy: -64.578 flat angles P-C4'-P energy: -47.552 tors. eta vs tors. theta energy: -88.316 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: 209 Temperature: 1.100000 Total energy: -1064.364061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.364061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.364061 (E_RNA) where: Base-Base interactions energy: -703.901 where: short stacking energy: -333.599 Base-Backbone interact. energy: -1.990 local terms energy: -358.473075 where: bonds (distance) C4'-P energy: -69.061 bonds (distance) P-C4' energy: -58.589 flat angles C4'-P-C4' energy: -80.514 flat angles P-C4'-P energy: -48.661 tors. eta vs tors. theta energy: -101.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -640.264981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.264981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.264981 (E_RNA) where: Base-Base interactions energy: -354.928 where: short stacking energy: -179.491 Base-Backbone interact. energy: -2.722 local terms energy: -282.615364 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -70.570 flat angles C4'-P-C4' energy: -76.120 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -24.252 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: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -659.106703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.106703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.106703 (E_RNA) where: Base-Base interactions energy: -356.443 where: short stacking energy: -195.915 Base-Backbone interact. energy: 1.921 local terms energy: -304.584299 where: bonds (distance) C4'-P energy: -62.911 bonds (distance) P-C4' energy: -78.179 flat angles C4'-P-C4' energy: -59.053 flat angles P-C4'-P energy: -51.539 tors. eta vs tors. theta energy: -52.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -459.488381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.488381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.488381 (E_RNA) where: Base-Base interactions energy: -214.981 where: short stacking energy: -122.305 Base-Backbone interact. energy: -2.778 local terms energy: -241.729252 where: bonds (distance) C4'-P energy: -70.063 bonds (distance) P-C4' energy: -62.847 flat angles C4'-P-C4' energy: -59.870 flat angles P-C4'-P energy: -43.527 tors. eta vs tors. theta energy: -5.422 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: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -426.674545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.674545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.674545 (E_RNA) where: Base-Base interactions energy: -202.003 where: short stacking energy: -117.834 Base-Backbone interact. energy: -1.038 local terms energy: -223.633401 where: bonds (distance) C4'-P energy: -58.653 bonds (distance) P-C4' energy: -74.539 flat angles C4'-P-C4' energy: -62.685 flat angles P-C4'-P energy: -37.187 tors. eta vs tors. theta energy: 9.431 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: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -308.027221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.027221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.027221 (E_RNA) where: Base-Base interactions energy: -107.668 where: short stacking energy: -84.177 Base-Backbone interact. energy: -0.887 local terms energy: -199.471845 where: bonds (distance) C4'-P energy: -66.093 bonds (distance) P-C4' energy: -65.196 flat angles C4'-P-C4' energy: -53.546 flat angles P-C4'-P energy: -33.612 tors. eta vs tors. theta energy: 18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1323.534617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.534617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.534617 (E_RNA) where: Base-Base interactions energy: -901.527 where: short stacking energy: -365.305 Base-Backbone interact. energy: -2.238 local terms energy: -419.769882 where: bonds (distance) C4'-P energy: -76.735 bonds (distance) P-C4' energy: -78.750 flat angles C4'-P-C4' energy: -81.021 flat angles P-C4'-P energy: -71.109 tors. eta vs tors. theta energy: -112.154 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: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1225.849833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.849833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.849833 (E_RNA) where: Base-Base interactions energy: -819.117 where: short stacking energy: -350.768 Base-Backbone interact. energy: -3.497 local terms energy: -403.236075 where: bonds (distance) C4'-P energy: -73.800 bonds (distance) P-C4' energy: -82.427 flat angles C4'-P-C4' energy: -88.630 flat angles P-C4'-P energy: -52.027 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: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1229.744294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.744294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.744294 (E_RNA) where: Base-Base interactions energy: -804.591 where: short stacking energy: -378.689 Base-Backbone interact. energy: -1.521 local terms energy: -423.631582 where: bonds (distance) C4'-P energy: -74.966 bonds (distance) P-C4' energy: -67.810 flat angles C4'-P-C4' energy: -96.356 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -122.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1087.588126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.588126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.588126 (E_RNA) where: Base-Base interactions energy: -716.822 where: short stacking energy: -317.707 Base-Backbone interact. energy: 2.447 local terms energy: -373.213102 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -65.501 flat angles C4'-P-C4' energy: -83.972 flat angles P-C4'-P energy: -49.422 tors. eta vs tors. theta energy: -92.318 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: 5, replica: 10 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1064.340032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.340032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.340032 (E_RNA) where: Base-Base interactions energy: -683.198 where: short stacking energy: -295.634 Base-Backbone interact. energy: -1.811 local terms energy: -379.331624 where: bonds (distance) C4'-P energy: -68.518 bonds (distance) P-C4' energy: -70.303 flat angles C4'-P-C4' energy: -83.787 flat angles P-C4'-P energy: -59.678 tors. eta vs tors. theta energy: -97.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -736.880677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.880677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.880677 (E_RNA) where: Base-Base interactions energy: -445.345 where: short stacking energy: -205.515 Base-Backbone interact. energy: 1.643 local terms energy: -293.178607 where: bonds (distance) C4'-P energy: -74.137 bonds (distance) P-C4' energy: -66.091 flat angles C4'-P-C4' energy: -70.959 flat angles P-C4'-P energy: -40.703 tors. eta vs tors. theta energy: -41.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -703.373565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.373565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.373565 (E_RNA) where: Base-Base interactions energy: -411.883 where: short stacking energy: -199.218 Base-Backbone interact. energy: -0.986 local terms energy: -290.504719 where: bonds (distance) C4'-P energy: -70.329 bonds (distance) P-C4' energy: -75.010 flat angles C4'-P-C4' energy: -64.766 flat angles P-C4'-P energy: -43.929 tors. eta vs tors. theta energy: -36.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -463.793589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.793589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.793589 (E_RNA) where: Base-Base interactions energy: -223.149 where: short stacking energy: -110.879 Base-Backbone interact. energy: 4.171 local terms energy: -244.815876 where: bonds (distance) C4'-P energy: -65.645 bonds (distance) P-C4' energy: -72.190 flat angles C4'-P-C4' energy: -56.648 flat angles P-C4'-P energy: -30.314 tors. eta vs tors. theta energy: -20.020 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: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -391.069227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.069227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.069227 (E_RNA) where: Base-Base interactions energy: -167.765 where: short stacking energy: -116.554 Base-Backbone interact. energy: -1.887 local terms energy: -221.416990 where: bonds (distance) C4'-P energy: -51.448 bonds (distance) P-C4' energy: -67.454 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -29.571 tors. eta vs tors. theta energy: -0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -323.607321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.607321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.607321 (E_RNA) where: Base-Base interactions energy: -119.647 where: short stacking energy: -85.110 Base-Backbone interact. energy: -2.476 local terms energy: -201.484053 where: bonds (distance) C4'-P energy: -67.872 bonds (distance) P-C4' energy: -53.474 flat angles C4'-P-C4' energy: -57.356 flat angles P-C4'-P energy: -30.108 tors. eta vs tors. theta energy: 7.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1346.453350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.453350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.453350 (E_RNA) where: Base-Base interactions energy: -919.550 where: short stacking energy: -375.372 Base-Backbone interact. energy: -2.054 local terms energy: -424.849991 where: bonds (distance) C4'-P energy: -90.648 bonds (distance) P-C4' energy: -76.069 flat angles C4'-P-C4' energy: -86.000 flat angles P-C4'-P energy: -61.305 tors. eta vs tors. theta energy: -110.829 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: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1248.920998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.920998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.920998 (E_RNA) where: Base-Base interactions energy: -857.695 where: short stacking energy: -331.754 Base-Backbone interact. energy: -1.708 local terms energy: -389.518189 where: bonds (distance) C4'-P energy: -74.888 bonds (distance) P-C4' energy: -67.827 flat angles C4'-P-C4' energy: -95.883 flat angles P-C4'-P energy: -52.443 tors. eta vs tors. theta energy: -98.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1220.934500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.934500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.934500 (E_RNA) where: Base-Base interactions energy: -816.614 where: short stacking energy: -369.322 Base-Backbone interact. energy: -2.134 local terms energy: -402.186678 where: bonds (distance) C4'-P energy: -75.265 bonds (distance) P-C4' energy: -74.826 flat angles C4'-P-C4' energy: -82.606 flat angles P-C4'-P energy: -56.569 tors. eta vs tors. theta energy: -112.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1085.777284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.777284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.777284 (E_RNA) where: Base-Base interactions energy: -706.309 where: short stacking energy: -292.674 Base-Backbone interact. energy: -0.826 local terms energy: -378.641735 where: bonds (distance) C4'-P energy: -73.482 bonds (distance) P-C4' energy: -78.059 flat angles C4'-P-C4' energy: -72.653 flat angles P-C4'-P energy: -59.645 tors. eta vs tors. theta energy: -94.802 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: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1080.988869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.988869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.988869 (E_RNA) where: Base-Base interactions energy: -714.608 where: short stacking energy: -293.382 Base-Backbone interact. energy: -1.525 local terms energy: -364.856129 where: bonds (distance) C4'-P energy: -73.979 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -69.751 flat angles P-C4'-P energy: -63.346 tors. eta vs tors. theta energy: -85.671 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: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -689.384245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.384245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.384245 (E_RNA) where: Base-Base interactions energy: -398.743 where: short stacking energy: -198.081 Base-Backbone interact. energy: -1.836 local terms energy: -288.805412 where: bonds (distance) C4'-P energy: -64.873 bonds (distance) P-C4' energy: -75.132 flat angles C4'-P-C4' energy: -61.381 flat angles P-C4'-P energy: -43.695 tors. eta vs tors. theta energy: -43.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -697.616349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.616349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.616349 (E_RNA) where: Base-Base interactions energy: -416.966 where: short stacking energy: -182.619 Base-Backbone interact. energy: 0.938 local terms energy: -281.588011 where: bonds (distance) C4'-P energy: -68.259 bonds (distance) P-C4' energy: -68.208 flat angles C4'-P-C4' energy: -65.473 flat angles P-C4'-P energy: -56.060 tors. eta vs tors. theta energy: -23.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -426.954546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.954546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.954546 (E_RNA) where: Base-Base interactions energy: -162.626 where: short stacking energy: -114.413 Base-Backbone interact. energy: -2.460 local terms energy: -261.868639 where: bonds (distance) C4'-P energy: -81.295 bonds (distance) P-C4' energy: -74.037 flat angles C4'-P-C4' energy: -64.012 flat angles P-C4'-P energy: -43.933 tors. eta vs tors. theta energy: 1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -438.361029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.361029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.361029 (E_RNA) where: Base-Base interactions energy: -217.273 where: short stacking energy: -151.550 Base-Backbone interact. energy: -0.480 local terms energy: -220.607868 where: bonds (distance) C4'-P energy: -67.416 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -56.373 flat angles P-C4'-P energy: -13.929 tors. eta vs tors. theta energy: -21.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -306.510695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.510695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.510695 (E_RNA) where: Base-Base interactions energy: -109.731 where: short stacking energy: -90.925 Base-Backbone interact. energy: -2.258 local terms energy: -194.521624 where: bonds (distance) C4'-P energy: -61.102 bonds (distance) P-C4' energy: -64.804 flat angles C4'-P-C4' energy: -46.965 flat angles P-C4'-P energy: -40.278 tors. eta vs tors. theta energy: 18.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1275.959070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.959070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.959070 (E_RNA) where: Base-Base interactions energy: -873.415 where: short stacking energy: -380.615 Base-Backbone interact. energy: -0.618 local terms energy: -401.925982 where: bonds (distance) C4'-P energy: -82.690 bonds (distance) P-C4' energy: -74.449 flat angles C4'-P-C4' energy: -85.353 flat angles P-C4'-P energy: -56.214 tors. eta vs tors. theta energy: -103.220 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: 6 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1268.639707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.639707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.639707 (E_RNA) where: Base-Base interactions energy: -865.128 where: short stacking energy: -365.703 Base-Backbone interact. energy: -1.493 local terms energy: -402.018987 where: bonds (distance) C4'-P energy: -78.453 bonds (distance) P-C4' energy: -80.629 flat angles C4'-P-C4' energy: -82.835 flat angles P-C4'-P energy: -52.264 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: 3, replica: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1213.524501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.524501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.524501 (E_RNA) where: Base-Base interactions energy: -794.811 where: short stacking energy: -361.467 Base-Backbone interact. energy: 3.274 local terms energy: -421.988028 where: bonds (distance) C4'-P energy: -70.988 bonds (distance) P-C4' energy: -78.118 flat angles C4'-P-C4' energy: -96.785 flat angles P-C4'-P energy: -59.684 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: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1078.323434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.323434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.323434 (E_RNA) where: Base-Base interactions energy: -711.591 where: short stacking energy: -324.130 Base-Backbone interact. energy: -0.797 local terms energy: -365.935426 where: bonds (distance) C4'-P energy: -61.676 bonds (distance) P-C4' energy: -72.422 flat angles C4'-P-C4' energy: -77.379 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -97.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1038.814024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.814024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.814024 (E_RNA) where: Base-Base interactions energy: -654.990 where: short stacking energy: -289.911 Base-Backbone interact. energy: -2.447 local terms energy: -381.377410 where: bonds (distance) C4'-P energy: -67.273 bonds (distance) P-C4' energy: -77.848 flat angles C4'-P-C4' energy: -92.049 flat angles P-C4'-P energy: -56.145 tors. eta vs tors. theta energy: -88.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -773.403182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.403182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.403182 (E_RNA) where: Base-Base interactions energy: -460.149 where: short stacking energy: -218.028 Base-Backbone interact. energy: -0.800 local terms energy: -312.454234 where: bonds (distance) C4'-P energy: -73.204 bonds (distance) P-C4' energy: -72.382 flat angles C4'-P-C4' energy: -71.995 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -44.284 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: 212 Temperature: 1.200000 Total energy: -675.171159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.171159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.171159 (E_RNA) where: Base-Base interactions energy: -417.477 where: short stacking energy: -176.461 Base-Backbone interact. energy: 0.674 local terms energy: -258.368414 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -65.170 flat angles C4'-P-C4' energy: -77.394 flat angles P-C4'-P energy: -34.308 tors. eta vs tors. theta energy: -21.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -447.066362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.066362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.066362 (E_RNA) where: Base-Base interactions energy: -208.016 where: short stacking energy: -140.214 Base-Backbone interact. energy: -0.189 local terms energy: -238.862237 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -64.624 flat angles C4'-P-C4' energy: -63.715 flat angles P-C4'-P energy: -37.133 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: 9, replica: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -421.022415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.022415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.022415 (E_RNA) where: Base-Base interactions energy: -181.380 where: short stacking energy: -114.720 Base-Backbone interact. energy: -2.130 local terms energy: -237.511604 where: bonds (distance) C4'-P energy: -65.613 bonds (distance) P-C4' energy: -62.472 flat angles C4'-P-C4' energy: -60.701 flat angles P-C4'-P energy: -34.368 tors. eta vs tors. theta energy: -14.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -314.742677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.742677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.742677 (E_RNA) where: Base-Base interactions energy: -107.646 where: short stacking energy: -84.662 Base-Backbone interact. energy: -0.499 local terms energy: -206.598154 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -67.115 flat angles C4'-P-C4' energy: -57.803 flat angles P-C4'-P energy: -38.880 tors. eta vs tors. theta energy: 19.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1277.821293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.821293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.821293 (E_RNA) where: Base-Base interactions energy: -871.951 where: short stacking energy: -376.296 Base-Backbone interact. energy: -1.252 local terms energy: -404.618027 where: bonds (distance) C4'-P energy: -75.059 bonds (distance) P-C4' energy: -74.149 flat angles C4'-P-C4' energy: -92.579 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: -113.474 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: 6 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1271.771594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.771594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.771594 (E_RNA) where: Base-Base interactions energy: -876.807 where: short stacking energy: -345.611 Base-Backbone interact. energy: 0.523 local terms energy: -395.487090 where: bonds (distance) C4'-P energy: -83.250 bonds (distance) P-C4' energy: -82.732 flat angles C4'-P-C4' energy: -84.033 flat angles P-C4'-P energy: -45.551 tors. eta vs tors. theta energy: -99.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1234.008034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.008034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.008034 (E_RNA) where: Base-Base interactions energy: -818.058 where: short stacking energy: -343.302 Base-Backbone interact. energy: -0.415 local terms energy: -415.535010 where: bonds (distance) C4'-P energy: -75.094 bonds (distance) P-C4' energy: -76.894 flat angles C4'-P-C4' energy: -91.997 flat angles P-C4'-P energy: -59.390 tors. eta vs tors. theta energy: -112.160 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: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1161.665335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.665335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.665335 (E_RNA) where: Base-Base interactions energy: -759.014 where: short stacking energy: -336.608 Base-Backbone interact. energy: -2.296 local terms energy: -400.356156 where: bonds (distance) C4'-P energy: -71.113 bonds (distance) P-C4' energy: -74.431 flat angles C4'-P-C4' energy: -89.246 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -105.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1020.517329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.517329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.517329 (E_RNA) where: Base-Base interactions energy: -659.067 where: short stacking energy: -290.286 Base-Backbone interact. energy: -1.369 local terms energy: -360.081454 where: bonds (distance) C4'-P energy: -77.788 bonds (distance) P-C4' energy: -76.434 flat angles C4'-P-C4' energy: -76.218 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: -81.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -759.033922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.033922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.033922 (E_RNA) where: Base-Base interactions energy: -440.914 where: short stacking energy: -218.440 Base-Backbone interact. energy: -1.076 local terms energy: -317.044108 where: bonds (distance) C4'-P energy: -76.879 bonds (distance) P-C4' energy: -75.933 flat angles C4'-P-C4' energy: -63.720 flat angles P-C4'-P energy: -50.076 tors. eta vs tors. theta energy: -50.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -718.955629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.955629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.955629 (E_RNA) where: Base-Base interactions energy: -448.275 where: short stacking energy: -203.854 Base-Backbone interact. energy: -2.246 local terms energy: -268.435391 where: bonds (distance) C4'-P energy: -62.548 bonds (distance) P-C4' energy: -67.163 flat angles C4'-P-C4' energy: -64.566 flat angles P-C4'-P energy: -41.424 tors. eta vs tors. theta energy: -32.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -434.258502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.258502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.258502 (E_RNA) where: Base-Base interactions energy: -205.160 where: short stacking energy: -122.726 Base-Backbone interact. energy: -2.103 local terms energy: -226.995649 where: bonds (distance) C4'-P energy: -54.194 bonds (distance) P-C4' energy: -82.147 flat angles C4'-P-C4' energy: -60.990 flat angles P-C4'-P energy: -37.447 tors. eta vs tors. theta energy: 7.783 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: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -439.485045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.485045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.485045 (E_RNA) where: Base-Base interactions energy: -203.832 where: short stacking energy: -103.187 Base-Backbone interact. energy: 1.127 local terms energy: -236.780314 where: bonds (distance) C4'-P energy: -68.184 bonds (distance) P-C4' energy: -66.865 flat angles C4'-P-C4' energy: -59.110 flat angles P-C4'-P energy: -39.386 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -343.166306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.166306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.166306 (E_RNA) where: Base-Base interactions energy: -122.616 where: short stacking energy: -114.236 Base-Backbone interact. energy: 0.923 local terms energy: -221.473550 where: bonds (distance) C4'-P energy: -52.355 bonds (distance) P-C4' energy: -67.331 flat angles C4'-P-C4' energy: -70.922 flat angles P-C4'-P energy: -23.615 tors. eta vs tors. theta energy: -7.251 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: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1289.206871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.206871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.206871 (E_RNA) where: Base-Base interactions energy: -867.879 where: short stacking energy: -377.691 Base-Backbone interact. energy: -2.323 local terms energy: -419.004239 where: bonds (distance) C4'-P energy: -86.335 bonds (distance) P-C4' energy: -72.128 flat angles C4'-P-C4' energy: -89.698 flat angles P-C4'-P energy: -58.380 tors. eta vs tors. theta energy: -112.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1308.527285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.527285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.527285 (E_RNA) where: Base-Base interactions energy: -915.306 where: short stacking energy: -363.042 Base-Backbone interact. energy: -4.824 local terms energy: -388.397698 where: bonds (distance) C4'-P energy: -84.718 bonds (distance) P-C4' energy: -73.245 flat angles C4'-P-C4' energy: -87.694 flat angles P-C4'-P energy: -44.585 tors. eta vs tors. theta energy: -98.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1227.432711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.432711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.432711 (E_RNA) where: Base-Base interactions energy: -812.311 where: short stacking energy: -360.562 Base-Backbone interact. energy: -0.714 local terms energy: -414.407500 where: bonds (distance) C4'-P energy: -71.200 bonds (distance) P-C4' energy: -79.591 flat angles C4'-P-C4' energy: -91.831 flat angles P-C4'-P energy: -62.061 tors. eta vs tors. theta energy: -109.725 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: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1169.765640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.765640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.765640 (E_RNA) where: Base-Base interactions energy: -772.257 where: short stacking energy: -358.983 Base-Backbone interact. energy: -0.854 local terms energy: -396.655043 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -77.155 flat angles C4'-P-C4' energy: -86.147 flat angles P-C4'-P energy: -46.155 tors. eta vs tors. theta energy: -112.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1061.787213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.787213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.787213 (E_RNA) where: Base-Base interactions energy: -707.907 where: short stacking energy: -295.912 Base-Backbone interact. energy: 1.953 local terms energy: -355.833204 where: bonds (distance) C4'-P energy: -71.311 bonds (distance) P-C4' energy: -72.944 flat angles C4'-P-C4' energy: -68.593 flat angles P-C4'-P energy: -57.988 tors. eta vs tors. theta energy: -84.996 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: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -711.359320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.359320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.359320 (E_RNA) where: Base-Base interactions energy: -413.843 where: short stacking energy: -209.851 Base-Backbone interact. energy: -3.769 local terms energy: -293.748022 where: bonds (distance) C4'-P energy: -67.400 bonds (distance) P-C4' energy: -62.908 flat angles C4'-P-C4' energy: -65.249 flat angles P-C4'-P energy: -45.758 tors. eta vs tors. theta energy: -52.433 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: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -701.193481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.193481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.193481 (E_RNA) where: Base-Base interactions energy: -429.912 where: short stacking energy: -191.166 Base-Backbone interact. energy: 5.986 local terms energy: -277.267443 where: bonds (distance) C4'-P energy: -58.560 bonds (distance) P-C4' energy: -71.095 flat angles C4'-P-C4' energy: -63.266 flat angles P-C4'-P energy: -47.809 tors. eta vs tors. theta energy: -36.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -427.287713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.287713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.287713 (E_RNA) where: Base-Base interactions energy: -215.062 where: short stacking energy: -128.501 Base-Backbone interact. energy: -0.890 local terms energy: -211.335875 where: bonds (distance) C4'-P energy: -70.513 bonds (distance) P-C4' energy: -71.747 flat angles C4'-P-C4' energy: -63.708 flat angles P-C4'-P energy: -13.866 tors. eta vs tors. theta energy: 8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -416.338019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.338019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.338019 (E_RNA) where: Base-Base interactions energy: -189.700 where: short stacking energy: -114.834 Base-Backbone interact. energy: -2.869 local terms energy: -223.768281 where: bonds (distance) C4'-P energy: -73.172 bonds (distance) P-C4' energy: -67.751 flat angles C4'-P-C4' energy: -56.636 flat angles P-C4'-P energy: -25.373 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -317.410461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.410461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.410461 (E_RNA) where: Base-Base interactions energy: -118.294 where: short stacking energy: -107.407 Base-Backbone interact. energy: 5.076 local terms energy: -204.192125 where: bonds (distance) C4'-P energy: -61.066 bonds (distance) P-C4' energy: -78.571 flat angles C4'-P-C4' energy: -34.902 flat angles P-C4'-P energy: -26.483 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1299.227972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.227972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.227972 (E_RNA) where: Base-Base interactions energy: -874.565 where: short stacking energy: -362.628 Base-Backbone interact. energy: -2.126 local terms energy: -422.536281 where: bonds (distance) C4'-P energy: -82.868 bonds (distance) P-C4' energy: -79.537 flat angles C4'-P-C4' energy: -89.220 flat angles P-C4'-P energy: -55.478 tors. eta vs tors. theta energy: -115.434 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: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1267.556085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.556085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.556085 (E_RNA) where: Base-Base interactions energy: -870.063 where: short stacking energy: -362.736 Base-Backbone interact. energy: -0.169 local terms energy: -397.324120 where: bonds (distance) C4'-P energy: -77.576 bonds (distance) P-C4' energy: -79.332 flat angles C4'-P-C4' energy: -82.546 flat angles P-C4'-P energy: -51.286 tors. eta vs tors. theta energy: -106.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1227.620241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.620241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.620241 (E_RNA) where: Base-Base interactions energy: -810.789 where: short stacking energy: -374.165 Base-Backbone interact. energy: -2.090 local terms energy: -414.741795 where: bonds (distance) C4'-P energy: -73.148 bonds (distance) P-C4' energy: -78.239 flat angles C4'-P-C4' energy: -90.508 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: -119.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1115.537630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.537630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.537630 (E_RNA) where: Base-Base interactions energy: -736.420 where: short stacking energy: -310.304 Base-Backbone interact. energy: -0.296 local terms energy: -378.821196 where: bonds (distance) C4'-P energy: -62.112 bonds (distance) P-C4' energy: -89.562 flat angles C4'-P-C4' energy: -83.813 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -90.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1053.242286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.242286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.242286 (E_RNA) where: Base-Base interactions energy: -710.409 where: short stacking energy: -305.929 Base-Backbone interact. energy: -2.570 local terms energy: -340.262675 where: bonds (distance) C4'-P energy: -74.113 bonds (distance) P-C4' energy: -55.935 flat angles C4'-P-C4' energy: -67.120 flat angles P-C4'-P energy: -59.616 tors. eta vs tors. theta energy: -83.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -690.527752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.527752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.527752 (E_RNA) where: Base-Base interactions energy: -416.272 where: short stacking energy: -194.773 Base-Backbone interact. energy: -1.787 local terms energy: -272.467985 where: bonds (distance) C4'-P energy: -59.446 bonds (distance) P-C4' energy: -75.893 flat angles C4'-P-C4' energy: -75.609 flat angles P-C4'-P energy: -37.224 tors. eta vs tors. theta energy: -24.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -667.058292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.058292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.058292 (E_RNA) where: Base-Base interactions energy: -394.987 where: short stacking energy: -202.903 Base-Backbone interact. energy: 0.381 local terms energy: -272.452331 where: bonds (distance) C4'-P energy: -75.677 bonds (distance) P-C4' energy: -72.598 flat angles C4'-P-C4' energy: -61.466 flat angles P-C4'-P energy: -30.360 tors. eta vs tors. theta energy: -32.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -452.236176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.236176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.236176 (E_RNA) where: Base-Base interactions energy: -215.936 where: short stacking energy: -130.696 Base-Backbone interact. energy: 1.260 local terms energy: -237.560629 where: bonds (distance) C4'-P energy: -61.639 bonds (distance) P-C4' energy: -74.251 flat angles C4'-P-C4' energy: -61.124 flat angles P-C4'-P energy: -27.875 tors. eta vs tors. theta energy: -12.671 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: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -399.862714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.862714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.862714 (E_RNA) where: Base-Base interactions energy: -169.997 where: short stacking energy: -105.926 Base-Backbone interact. energy: -0.305 local terms energy: -229.560872 where: bonds (distance) C4'-P energy: -62.381 bonds (distance) P-C4' energy: -71.181 flat angles C4'-P-C4' energy: -62.650 flat angles P-C4'-P energy: -40.641 tors. eta vs tors. theta energy: 7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -332.748387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.748387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.748387 (E_RNA) where: Base-Base interactions energy: -132.368 where: short stacking energy: -98.633 Base-Backbone interact. energy: 0.365 local terms energy: -200.745218 where: bonds (distance) C4'-P energy: -64.773 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -50.413 flat angles P-C4'-P energy: -28.317 tors. eta vs tors. theta energy: 6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1262.880978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.880978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.880978 (E_RNA) where: Base-Base interactions energy: -850.063 where: short stacking energy: -364.893 Base-Backbone interact. energy: -0.757 local terms energy: -412.061209 where: bonds (distance) C4'-P energy: -74.601 bonds (distance) P-C4' energy: -83.166 flat angles C4'-P-C4' energy: -80.512 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -112.181 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: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1250.923300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.923300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.923300 (E_RNA) where: Base-Base interactions energy: -847.718 where: short stacking energy: -348.892 Base-Backbone interact. energy: -3.440 local terms energy: -399.765436 where: bonds (distance) C4'-P energy: -80.483 bonds (distance) P-C4' energy: -80.568 flat angles C4'-P-C4' energy: -69.684 flat angles P-C4'-P energy: -59.069 tors. eta vs tors. theta energy: -109.963 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: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1223.287173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.287173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.287173 (E_RNA) where: Base-Base interactions energy: -821.847 where: short stacking energy: -371.407 Base-Backbone interact. energy: 2.134 local terms energy: -403.574328 where: bonds (distance) C4'-P energy: -75.250 bonds (distance) P-C4' energy: -72.554 flat angles C4'-P-C4' energy: -90.235 flat angles P-C4'-P energy: -53.549 tors. eta vs tors. theta energy: -111.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1091.397542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.397542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.397542 (E_RNA) where: Base-Base interactions energy: -712.562 where: short stacking energy: -304.954 Base-Backbone interact. energy: -2.410 local terms energy: -376.425137 where: bonds (distance) C4'-P energy: -77.336 bonds (distance) P-C4' energy: -76.378 flat angles C4'-P-C4' energy: -81.538 flat angles P-C4'-P energy: -45.321 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: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1042.589800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.589800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.589800 (E_RNA) where: Base-Base interactions energy: -691.401 where: short stacking energy: -304.127 Base-Backbone interact. energy: -2.647 local terms energy: -348.541861 where: bonds (distance) C4'-P energy: -64.229 bonds (distance) P-C4' energy: -72.928 flat angles C4'-P-C4' energy: -92.217 flat angles P-C4'-P energy: -40.588 tors. eta vs tors. theta energy: -78.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -740.352722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.352722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.352722 (E_RNA) where: Base-Base interactions energy: -441.849 where: short stacking energy: -205.176 Base-Backbone interact. energy: -3.239 local terms energy: -295.264478 where: bonds (distance) C4'-P energy: -72.475 bonds (distance) P-C4' energy: -75.706 flat angles C4'-P-C4' energy: -70.226 flat angles P-C4'-P energy: -32.788 tors. eta vs tors. theta energy: -44.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -649.023753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.023753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.023753 (E_RNA) where: Base-Base interactions energy: -356.951 where: short stacking energy: -184.298 Base-Backbone interact. energy: 1.261 local terms energy: -293.334007 where: bonds (distance) C4'-P energy: -62.059 bonds (distance) P-C4' energy: -78.907 flat angles C4'-P-C4' energy: -62.972 flat angles P-C4'-P energy: -39.555 tors. eta vs tors. theta energy: -49.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -466.358644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.358644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.358644 (E_RNA) where: Base-Base interactions energy: -238.088 where: short stacking energy: -153.366 Base-Backbone interact. energy: 4.500 local terms energy: -232.770692 where: bonds (distance) C4'-P energy: -65.329 bonds (distance) P-C4' energy: -65.969 flat angles C4'-P-C4' energy: -61.367 flat angles P-C4'-P energy: -32.293 tors. eta vs tors. theta energy: -7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -408.613541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.613541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.613541 (E_RNA) where: Base-Base interactions energy: -181.533 where: short stacking energy: -110.690 Base-Backbone interact. energy: -1.704 local terms energy: -225.376485 where: bonds (distance) C4'-P energy: -71.437 bonds (distance) P-C4' energy: -66.179 flat angles C4'-P-C4' energy: -46.442 flat angles P-C4'-P energy: -45.016 tors. eta vs tors. theta energy: 3.698 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: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -341.157486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.157486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.157486 (E_RNA) where: Base-Base interactions energy: -130.382 where: short stacking energy: -112.814 Base-Backbone interact. energy: 2.186 local terms energy: -212.962003 where: bonds (distance) C4'-P energy: -57.606 bonds (distance) P-C4' energy: -66.694 flat angles C4'-P-C4' energy: -48.000 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: 7.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1273.953512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.953512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.953512 (E_RNA) where: Base-Base interactions energy: -862.632 where: short stacking energy: -365.095 Base-Backbone interact. energy: 0.754 local terms energy: -412.076000 where: bonds (distance) C4'-P energy: -68.997 bonds (distance) P-C4' energy: -81.850 flat angles C4'-P-C4' energy: -86.790 flat angles P-C4'-P energy: -60.500 tors. eta vs tors. theta energy: -113.938 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: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1281.818365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.818365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.818365 (E_RNA) where: Base-Base interactions energy: -894.436 where: short stacking energy: -390.534 Base-Backbone interact. energy: 0.671 local terms energy: -388.053495 where: bonds (distance) C4'-P energy: -71.789 bonds (distance) P-C4' energy: -74.845 flat angles C4'-P-C4' energy: -84.329 flat angles P-C4'-P energy: -47.270 tors. eta vs tors. theta energy: -109.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1218.401767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.401767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.401767 (E_RNA) where: Base-Base interactions energy: -807.320 where: short stacking energy: -351.485 Base-Backbone interact. energy: 1.283 local terms energy: -412.365154 where: bonds (distance) C4'-P energy: -80.331 bonds (distance) P-C4' energy: -78.962 flat angles C4'-P-C4' energy: -77.228 flat angles P-C4'-P energy: -54.646 tors. eta vs tors. theta energy: -121.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1103.845868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.845868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.845868 (E_RNA) where: Base-Base interactions energy: -725.427 where: short stacking energy: -307.143 Base-Backbone interact. energy: -0.623 local terms energy: -377.795881 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -80.130 flat angles C4'-P-C4' energy: -79.106 flat angles P-C4'-P energy: -59.450 tors. eta vs tors. theta energy: -90.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1033.813890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.813890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.813890 (E_RNA) where: Base-Base interactions energy: -672.542 where: short stacking energy: -305.658 Base-Backbone interact. energy: -1.971 local terms energy: -359.301238 where: bonds (distance) C4'-P energy: -60.641 bonds (distance) P-C4' energy: -77.038 flat angles C4'-P-C4' energy: -83.410 flat angles P-C4'-P energy: -51.168 tors. eta vs tors. theta energy: -87.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -771.357258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.357258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.357258 (E_RNA) where: Base-Base interactions energy: -428.198 where: short stacking energy: -198.999 Base-Backbone interact. energy: -2.108 local terms energy: -341.051202 where: bonds (distance) C4'-P energy: -74.995 bonds (distance) P-C4' energy: -78.327 flat angles C4'-P-C4' energy: -77.640 flat angles P-C4'-P energy: -52.708 tors. eta vs tors. theta energy: -57.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -627.310379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.310379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.310379 (E_RNA) where: Base-Base interactions energy: -350.982 where: short stacking energy: -177.499 Base-Backbone interact. energy: -1.809 local terms energy: -274.519286 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -67.336 flat angles C4'-P-C4' energy: -82.085 flat angles P-C4'-P energy: -29.063 tors. eta vs tors. theta energy: -30.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -452.234729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.234729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.234729 (E_RNA) where: Base-Base interactions energy: -227.355 where: short stacking energy: -111.321 Base-Backbone interact. energy: 1.185 local terms energy: -226.064713 where: bonds (distance) C4'-P energy: -68.431 bonds (distance) P-C4' energy: -68.035 flat angles C4'-P-C4' energy: -60.740 flat angles P-C4'-P energy: -38.880 tors. eta vs tors. theta energy: 10.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -442.860741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.860741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.860741 (E_RNA) where: Base-Base interactions energy: -215.792 where: short stacking energy: -114.919 Base-Backbone interact. energy: 1.935 local terms energy: -229.003724 where: bonds (distance) C4'-P energy: -70.045 bonds (distance) P-C4' energy: -62.519 flat angles C4'-P-C4' energy: -43.581 flat angles P-C4'-P energy: -46.076 tors. eta vs tors. theta energy: -6.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -319.671031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.671031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.671031 (E_RNA) where: Base-Base interactions energy: -118.146 where: short stacking energy: -80.605 Base-Backbone interact. energy: 2.326 local terms energy: -203.850896 where: bonds (distance) C4'-P energy: -58.138 bonds (distance) P-C4' energy: -79.450 flat angles C4'-P-C4' energy: -49.404 flat angles P-C4'-P energy: -37.203 tors. eta vs tors. theta energy: 20.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1283.834858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.834858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.834858 (E_RNA) where: Base-Base interactions energy: -867.347 where: short stacking energy: -386.511 Base-Backbone interact. energy: -3.195 local terms energy: -413.292097 where: bonds (distance) C4'-P energy: -74.284 bonds (distance) P-C4' energy: -70.248 flat angles C4'-P-C4' energy: -94.877 flat angles P-C4'-P energy: -56.798 tors. eta vs tors. theta energy: -117.085 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: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1315.674524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.674524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.674524 (E_RNA) where: Base-Base interactions energy: -895.111 where: short stacking energy: -363.225 Base-Backbone interact. energy: -1.693 local terms energy: -418.870594 where: bonds (distance) C4'-P energy: -82.494 bonds (distance) P-C4' energy: -80.601 flat angles C4'-P-C4' energy: -91.812 flat angles P-C4'-P energy: -53.596 tors. eta vs tors. theta energy: -110.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1226.712236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.712236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.712236 (E_RNA) where: Base-Base interactions energy: -831.072 where: short stacking energy: -370.276 Base-Backbone interact. energy: -1.153 local terms energy: -394.487451 where: bonds (distance) C4'-P energy: -82.024 bonds (distance) P-C4' energy: -76.349 flat angles C4'-P-C4' energy: -77.903 flat angles P-C4'-P energy: -45.786 tors. eta vs tors. theta energy: -112.425 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: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1084.404104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.404104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.404104 (E_RNA) where: Base-Base interactions energy: -706.679 where: short stacking energy: -298.079 Base-Backbone interact. energy: -1.310 local terms energy: -376.415257 where: bonds (distance) C4'-P energy: -81.357 bonds (distance) P-C4' energy: -82.496 flat angles C4'-P-C4' energy: -75.783 flat angles P-C4'-P energy: -48.732 tors. eta vs tors. theta energy: -88.048 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: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1028.868127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.868127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.868127 (E_RNA) where: Base-Base interactions energy: -668.972 where: short stacking energy: -321.670 Base-Backbone interact. energy: 0.392 local terms energy: -360.288366 where: bonds (distance) C4'-P energy: -59.779 bonds (distance) P-C4' energy: -65.267 flat angles C4'-P-C4' energy: -86.897 flat angles P-C4'-P energy: -53.664 tors. eta vs tors. theta energy: -94.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -786.244954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.244954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.244954 (E_RNA) where: Base-Base interactions energy: -486.881 where: short stacking energy: -245.506 Base-Backbone interact. energy: -1.373 local terms energy: -297.991292 where: bonds (distance) C4'-P energy: -51.697 bonds (distance) P-C4' energy: -73.752 flat angles C4'-P-C4' energy: -70.133 flat angles P-C4'-P energy: -52.686 tors. eta vs tors. theta energy: -49.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -627.715134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.715134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.715134 (E_RNA) where: Base-Base interactions energy: -367.626 where: short stacking energy: -173.815 Base-Backbone interact. energy: 2.436 local terms energy: -262.524617 where: bonds (distance) C4'-P energy: -54.051 bonds (distance) P-C4' energy: -73.487 flat angles C4'-P-C4' energy: -63.255 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: -29.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -461.257657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.257657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.257657 (E_RNA) where: Base-Base interactions energy: -214.948 where: short stacking energy: -118.019 Base-Backbone interact. energy: -1.822 local terms energy: -244.487694 where: bonds (distance) C4'-P energy: -69.035 bonds (distance) P-C4' energy: -69.530 flat angles C4'-P-C4' energy: -60.414 flat angles P-C4'-P energy: -52.264 tors. eta vs tors. theta energy: 6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -431.333539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.333539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.333539 (E_RNA) where: Base-Base interactions energy: -213.352 where: short stacking energy: -117.408 Base-Backbone interact. energy: -1.663 local terms energy: -216.318707 where: bonds (distance) C4'-P energy: -61.094 bonds (distance) P-C4' energy: -68.037 flat angles C4'-P-C4' energy: -51.696 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: 3.137 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: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -325.472183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.472183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.472183 (E_RNA) where: Base-Base interactions energy: -126.691 where: short stacking energy: -100.417 Base-Backbone interact. energy: -2.078 local terms energy: -196.703758 where: bonds (distance) C4'-P energy: -62.294 bonds (distance) P-C4' energy: -71.527 flat angles C4'-P-C4' energy: -51.022 flat angles P-C4'-P energy: -27.117 tors. eta vs tors. theta energy: 15.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1289.230275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.230275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.230275 (E_RNA) where: Base-Base interactions energy: -863.085 where: short stacking energy: -370.937 Base-Backbone interact. energy: -1.926 local terms energy: -424.218456 where: bonds (distance) C4'-P energy: -77.364 bonds (distance) P-C4' energy: -84.085 flat angles C4'-P-C4' energy: -88.978 flat angles P-C4'-P energy: -59.217 tors. eta vs tors. theta energy: -114.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1287.356540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.356540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.356540 (E_RNA) where: Base-Base interactions energy: -886.484 where: short stacking energy: -376.408 Base-Backbone interact. energy: -2.705 local terms energy: -398.166907 where: bonds (distance) C4'-P energy: -71.633 bonds (distance) P-C4' energy: -75.675 flat angles C4'-P-C4' energy: -88.051 flat angles P-C4'-P energy: -49.511 tors. eta vs tors. theta energy: -113.297 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: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1234.157083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.157083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.157083 (E_RNA) where: Base-Base interactions energy: -817.194 where: short stacking energy: -349.951 Base-Backbone interact. energy: -1.651 local terms energy: -415.311702 where: bonds (distance) C4'-P energy: -75.873 bonds (distance) P-C4' energy: -80.746 flat angles C4'-P-C4' energy: -88.816 flat angles P-C4'-P energy: -56.614 tors. eta vs tors. theta energy: -113.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1054.141649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.141649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.141649 (E_RNA) where: Base-Base interactions energy: -708.835 where: short stacking energy: -302.555 Base-Backbone interact. energy: -2.404 local terms energy: -342.902905 where: bonds (distance) C4'-P energy: -70.650 bonds (distance) P-C4' energy: -73.352 flat angles C4'-P-C4' energy: -62.832 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: -81.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1050.781428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.781428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.781428 (E_RNA) where: Base-Base interactions energy: -704.882 where: short stacking energy: -303.182 Base-Backbone interact. energy: -4.545 local terms energy: -341.354499 where: bonds (distance) C4'-P energy: -72.864 bonds (distance) P-C4' energy: -67.714 flat angles C4'-P-C4' energy: -76.896 flat angles P-C4'-P energy: -42.997 tors. eta vs tors. theta energy: -80.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -647.392385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.392385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.392385 (E_RNA) where: Base-Base interactions energy: -379.290 where: short stacking energy: -194.861 Base-Backbone interact. energy: -0.657 local terms energy: -267.444934 where: bonds (distance) C4'-P energy: -48.335 bonds (distance) P-C4' energy: -76.732 flat angles C4'-P-C4' energy: -74.034 flat angles P-C4'-P energy: -38.184 tors. eta vs tors. theta energy: -30.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -701.817960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.817960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.817960 (E_RNA) where: Base-Base interactions energy: -414.029 where: short stacking energy: -192.974 Base-Backbone interact. energy: -2.380 local terms energy: -285.408959 where: bonds (distance) C4'-P energy: -59.830 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -62.736 flat angles P-C4'-P energy: -52.531 tors. eta vs tors. theta energy: -41.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -440.944914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.944914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.944914 (E_RNA) where: Base-Base interactions energy: -193.625 where: short stacking energy: -115.092 Base-Backbone interact. energy: -2.566 local terms energy: -244.753395 where: bonds (distance) C4'-P energy: -60.111 bonds (distance) P-C4' energy: -76.019 flat angles C4'-P-C4' energy: -66.404 flat angles P-C4'-P energy: -30.580 tors. eta vs tors. theta energy: -11.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -427.214320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.214320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.214320 (E_RNA) where: Base-Base interactions energy: -189.937 where: short stacking energy: -113.113 Base-Backbone interact. energy: 1.264 local terms energy: -238.541440 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -71.880 flat angles C4'-P-C4' energy: -64.259 flat angles P-C4'-P energy: -38.981 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -317.708267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.708267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.708267 (E_RNA) where: Base-Base interactions energy: -128.454 where: short stacking energy: -97.456 Base-Backbone interact. energy: 3.048 local terms energy: -192.302400 where: bonds (distance) C4'-P energy: -63.702 bonds (distance) P-C4' energy: -61.395 flat angles C4'-P-C4' energy: -46.450 flat angles P-C4'-P energy: -38.091 tors. eta vs tors. theta energy: 17.337 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: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1302.757263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.757263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.757263 (E_RNA) where: Base-Base interactions energy: -873.918 where: short stacking energy: -376.349 Base-Backbone interact. energy: 1.018 local terms energy: -429.857541 where: bonds (distance) C4'-P energy: -69.428 bonds (distance) P-C4' energy: -88.074 flat angles C4'-P-C4' energy: -94.198 flat angles P-C4'-P energy: -65.205 tors. eta vs tors. theta energy: -112.954 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: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1240.956662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.956662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.956662 (E_RNA) where: Base-Base interactions energy: -825.435 where: short stacking energy: -371.321 Base-Backbone interact. energy: 0.319 local terms energy: -415.840306 where: bonds (distance) C4'-P energy: -63.155 bonds (distance) P-C4' energy: -85.502 flat angles C4'-P-C4' energy: -91.591 flat angles P-C4'-P energy: -57.426 tors. eta vs tors. theta energy: -118.166 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: 220 Temperature: 1.000000 Total energy: -1225.366952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.366952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.366952 (E_RNA) where: Base-Base interactions energy: -801.486 where: short stacking energy: -350.186 Base-Backbone interact. energy: -1.734 local terms energy: -422.147045 where: bonds (distance) C4'-P energy: -76.019 bonds (distance) P-C4' energy: -81.963 flat angles C4'-P-C4' energy: -91.484 flat angles P-C4'-P energy: -57.317 tors. eta vs tors. theta energy: -115.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1089.655404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.655404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.655404 (E_RNA) where: Base-Base interactions energy: -724.738 where: short stacking energy: -306.451 Base-Backbone interact. energy: -0.006 local terms energy: -364.911098 where: bonds (distance) C4'-P energy: -71.660 bonds (distance) P-C4' energy: -78.158 flat angles C4'-P-C4' energy: -81.287 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -87.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1066.949927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.949927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.949927 (E_RNA) where: Base-Base interactions energy: -713.050 where: short stacking energy: -314.771 Base-Backbone interact. energy: -1.598 local terms energy: -352.302230 where: bonds (distance) C4'-P energy: -68.001 bonds (distance) P-C4' energy: -76.561 flat angles C4'-P-C4' energy: -78.290 flat angles P-C4'-P energy: -51.097 tors. eta vs tors. theta energy: -78.354 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: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -665.815902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.815902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.815902 (E_RNA) where: Base-Base interactions energy: -372.766 where: short stacking energy: -186.202 Base-Backbone interact. energy: 0.876 local terms energy: -293.926240 where: bonds (distance) C4'-P energy: -66.394 bonds (distance) P-C4' energy: -67.109 flat angles C4'-P-C4' energy: -85.922 flat angles P-C4'-P energy: -40.448 tors. eta vs tors. theta energy: -34.053 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: 7, replica: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -636.725947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.725947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.725947 (E_RNA) where: Base-Base interactions energy: -369.263 where: short stacking energy: -169.256 Base-Backbone interact. energy: -1.784 local terms energy: -265.678415 where: bonds (distance) C4'-P energy: -69.161 bonds (distance) P-C4' energy: -68.111 flat angles C4'-P-C4' energy: -60.461 flat angles P-C4'-P energy: -35.368 tors. eta vs tors. theta energy: -32.578 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: 220 Temperature: 1.250000 Total energy: -464.716971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.716971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.716971 (E_RNA) where: Base-Base interactions energy: -236.408 where: short stacking energy: -140.825 Base-Backbone interact. energy: -1.171 local terms energy: -227.138312 where: bonds (distance) C4'-P energy: -59.558 bonds (distance) P-C4' energy: -80.283 flat angles C4'-P-C4' energy: -40.023 flat angles P-C4'-P energy: -46.170 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -381.825827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.825827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.825827 (E_RNA) where: Base-Base interactions energy: -164.334 where: short stacking energy: -116.351 Base-Backbone interact. energy: -1.045 local terms energy: -216.447573 where: bonds (distance) C4'-P energy: -54.845 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -54.946 flat angles P-C4'-P energy: -37.796 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: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -311.851626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.851626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.851626 (E_RNA) where: Base-Base interactions energy: -95.279 where: short stacking energy: -60.640 Base-Backbone interact. energy: -1.441 local terms energy: -215.132231 where: bonds (distance) C4'-P energy: -61.033 bonds (distance) P-C4' energy: -62.929 flat angles C4'-P-C4' energy: -66.123 flat angles P-C4'-P energy: -43.331 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: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1304.082778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.082778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.082778 (E_RNA) where: Base-Base interactions energy: -901.578 where: short stacking energy: -367.759 Base-Backbone interact. energy: -1.805 local terms energy: -400.699711 where: bonds (distance) C4'-P energy: -87.066 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -88.964 flat angles P-C4'-P energy: -46.358 tors. eta vs tors. theta energy: -107.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1248.579241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.579241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.579241 (E_RNA) where: Base-Base interactions energy: -820.587 where: short stacking energy: -359.509 Base-Backbone interact. energy: -1.239 local terms energy: -426.753356 where: bonds (distance) C4'-P energy: -77.701 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -93.235 flat angles P-C4'-P energy: -55.670 tors. eta vs tors. theta energy: -121.642 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: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1149.871521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.871521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.871521 (E_RNA) where: Base-Base interactions energy: -757.788 where: short stacking energy: -321.160 Base-Backbone interact. energy: -1.641 local terms energy: -390.442517 where: bonds (distance) C4'-P energy: -79.387 bonds (distance) P-C4' energy: -75.503 flat angles C4'-P-C4' energy: -78.004 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: -98.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1103.430498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.430498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.430498 (E_RNA) where: Base-Base interactions energy: -729.829 where: short stacking energy: -328.214 Base-Backbone interact. energy: -0.830 local terms energy: -372.771432 where: bonds (distance) C4'-P energy: -77.913 bonds (distance) P-C4' energy: -75.387 flat angles C4'-P-C4' energy: -74.918 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -99.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1006.299427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.299427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.299427 (E_RNA) where: Base-Base interactions energy: -652.507 where: short stacking energy: -279.879 Base-Backbone interact. energy: -3.106 local terms energy: -350.686482 where: bonds (distance) C4'-P energy: -70.457 bonds (distance) P-C4' energy: -87.491 flat angles C4'-P-C4' energy: -69.443 flat angles P-C4'-P energy: -44.645 tors. eta vs tors. theta energy: -78.651 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: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -696.235649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.235649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.235649 (E_RNA) where: Base-Base interactions energy: -396.156 where: short stacking energy: -208.851 Base-Backbone interact. energy: -0.135 local terms energy: -299.944858 where: bonds (distance) C4'-P energy: -67.122 bonds (distance) P-C4' energy: -74.707 flat angles C4'-P-C4' energy: -65.851 flat angles P-C4'-P energy: -53.293 tors. eta vs tors. theta energy: -38.971 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: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -634.923432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.923432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.923432 (E_RNA) where: Base-Base interactions energy: -347.385 where: short stacking energy: -173.479 Base-Backbone interact. energy: -2.978 local terms energy: -284.560908 where: bonds (distance) C4'-P energy: -61.764 bonds (distance) P-C4' energy: -75.338 flat angles C4'-P-C4' energy: -72.740 flat angles P-C4'-P energy: -38.368 tors. eta vs tors. theta energy: -36.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -452.982117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.982117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.982117 (E_RNA) where: Base-Base interactions energy: -202.911 where: short stacking energy: -127.927 Base-Backbone interact. energy: -1.320 local terms energy: -248.751075 where: bonds (distance) C4'-P energy: -75.696 bonds (distance) P-C4' energy: -70.348 flat angles C4'-P-C4' energy: -60.890 flat angles P-C4'-P energy: -29.807 tors. eta vs tors. theta energy: -12.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -428.240952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.240952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.240952 (E_RNA) where: Base-Base interactions energy: -211.691 where: short stacking energy: -117.266 Base-Backbone interact. energy: -1.499 local terms energy: -215.051096 where: bonds (distance) C4'-P energy: -57.860 bonds (distance) P-C4' energy: -61.585 flat angles C4'-P-C4' energy: -55.153 flat angles P-C4'-P energy: -42.498 tors. eta vs tors. theta energy: 2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -324.489234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.489234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.489234 (E_RNA) where: Base-Base interactions energy: -114.049 where: short stacking energy: -93.394 Base-Backbone interact. energy: 0.498 local terms energy: -210.938315 where: bonds (distance) C4'-P energy: -73.789 bonds (distance) P-C4' energy: -70.900 flat angles C4'-P-C4' energy: -44.447 flat angles P-C4'-P energy: -33.826 tors. eta vs tors. theta energy: 12.024 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: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1320.327071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.327071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.327071 (E_RNA) where: Base-Base interactions energy: -904.948 where: short stacking energy: -379.639 Base-Backbone interact. energy: -1.106 local terms energy: -414.272768 where: bonds (distance) C4'-P energy: -78.132 bonds (distance) P-C4' energy: -90.382 flat angles C4'-P-C4' energy: -85.156 flat angles P-C4'-P energy: -53.384 tors. eta vs tors. theta energy: -107.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1294.657160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.657160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.657160 (E_RNA) where: Base-Base interactions energy: -855.793 where: short stacking energy: -394.379 Base-Backbone interact. energy: -0.401 local terms energy: -438.463752 where: bonds (distance) C4'-P energy: -67.191 bonds (distance) P-C4' energy: -87.702 flat angles C4'-P-C4' energy: -92.575 flat angles P-C4'-P energy: -65.836 tors. eta vs tors. theta energy: -125.160 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: 222 Temperature: 1.000000 Total energy: -1168.899637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.899637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.899637 (E_RNA) where: Base-Base interactions energy: -772.757 where: short stacking energy: -332.205 Base-Backbone interact. energy: -0.432 local terms energy: -395.710393 where: bonds (distance) C4'-P energy: -78.857 bonds (distance) P-C4' energy: -83.739 flat angles C4'-P-C4' energy: -85.755 flat angles P-C4'-P energy: -47.089 tors. eta vs tors. theta energy: -100.271 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: 222 Temperature: 1.050000 Total energy: -1108.150760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.150760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.150760 (E_RNA) where: Base-Base interactions energy: -743.797 where: short stacking energy: -305.766 Base-Backbone interact. energy: 0.290 local terms energy: -364.643563 where: bonds (distance) C4'-P energy: -66.262 bonds (distance) P-C4' energy: -78.800 flat angles C4'-P-C4' energy: -73.306 flat angles P-C4'-P energy: -52.102 tors. eta vs tors. theta energy: -94.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1015.892766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.892766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.892766 (E_RNA) where: Base-Base interactions energy: -678.128 where: short stacking energy: -302.549 Base-Backbone interact. energy: 1.504 local terms energy: -339.268677 where: bonds (distance) C4'-P energy: -59.592 bonds (distance) P-C4' energy: -75.868 flat angles C4'-P-C4' energy: -67.498 flat angles P-C4'-P energy: -52.336 tors. eta vs tors. theta energy: -83.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -704.744688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.744688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.744688 (E_RNA) where: Base-Base interactions energy: -416.627 where: short stacking energy: -201.465 Base-Backbone interact. energy: 1.992 local terms energy: -290.109112 where: bonds (distance) C4'-P energy: -81.875 bonds (distance) P-C4' energy: -67.526 flat angles C4'-P-C4' energy: -65.536 flat angles P-C4'-P energy: -29.999 tors. eta vs tors. theta energy: -45.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -689.142043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.142043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.142043 (E_RNA) where: Base-Base interactions energy: -424.931 where: short stacking energy: -195.408 Base-Backbone interact. energy: -3.296 local terms energy: -260.914957 where: bonds (distance) C4'-P energy: -55.212 bonds (distance) P-C4' energy: -70.604 flat angles C4'-P-C4' energy: -75.715 flat angles P-C4'-P energy: -36.773 tors. eta vs tors. theta energy: -22.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -481.073485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.073485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.073485 (E_RNA) where: Base-Base interactions energy: -235.896 where: short stacking energy: -138.920 Base-Backbone interact. energy: -1.778 local terms energy: -243.399330 where: bonds (distance) C4'-P energy: -61.028 bonds (distance) P-C4' energy: -70.129 flat angles C4'-P-C4' energy: -61.041 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: -5.690 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: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -456.914884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.914884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.914884 (E_RNA) where: Base-Base interactions energy: -219.519 where: short stacking energy: -138.105 Base-Backbone interact. energy: 0.161 local terms energy: -237.556224 where: bonds (distance) C4'-P energy: -73.133 bonds (distance) P-C4' energy: -68.360 flat angles C4'-P-C4' energy: -58.541 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: 0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -340.141607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.141607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.141607 (E_RNA) where: Base-Base interactions energy: -121.547 where: short stacking energy: -96.155 Base-Backbone interact. energy: 0.488 local terms energy: -219.083079 where: bonds (distance) C4'-P energy: -67.283 bonds (distance) P-C4' energy: -75.932 flat angles C4'-P-C4' energy: -61.158 flat angles P-C4'-P energy: -33.924 tors. eta vs tors. theta energy: 19.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1323.692777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.692777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.692777 (E_RNA) where: Base-Base interactions energy: -913.590 where: short stacking energy: -388.298 Base-Backbone interact. energy: -1.089 local terms energy: -409.013870 where: bonds (distance) C4'-P energy: -78.080 bonds (distance) P-C4' energy: -75.252 flat angles C4'-P-C4' energy: -85.380 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: -104.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1250.261262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.261262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.261262 (E_RNA) where: Base-Base interactions energy: -829.993 where: short stacking energy: -377.173 Base-Backbone interact. energy: -1.094 local terms energy: -419.174350 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -81.146 flat angles C4'-P-C4' energy: -93.289 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -115.244 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: 223 Temperature: 1.000000 Total energy: -1199.154145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.154145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.154145 (E_RNA) where: Base-Base interactions energy: -814.422 where: short stacking energy: -339.978 Base-Backbone interact. energy: -1.821 local terms energy: -382.910715 where: bonds (distance) C4'-P energy: -76.762 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -85.874 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -99.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1135.141702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.141702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.141702 (E_RNA) where: Base-Base interactions energy: -745.344 where: short stacking energy: -341.596 Base-Backbone interact. energy: -0.928 local terms energy: -388.870326 where: bonds (distance) C4'-P energy: -72.570 bonds (distance) P-C4' energy: -71.141 flat angles C4'-P-C4' energy: -83.563 flat angles P-C4'-P energy: -58.269 tors. eta vs tors. theta energy: -103.327 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: 10 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -999.961830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.961830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.961830 (E_RNA) where: Base-Base interactions energy: -657.205 where: short stacking energy: -273.948 Base-Backbone interact. energy: -2.490 local terms energy: -340.266439 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -69.292 flat angles C4'-P-C4' energy: -87.213 flat angles P-C4'-P energy: -44.602 tors. eta vs tors. theta energy: -78.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -723.136706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.136706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.136706 (E_RNA) where: Base-Base interactions energy: -435.900 where: short stacking energy: -204.883 Base-Backbone interact. energy: 1.623 local terms energy: -288.858997 where: bonds (distance) C4'-P energy: -59.175 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -75.474 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -40.857 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: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -667.413765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.413765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.413765 (E_RNA) where: Base-Base interactions energy: -387.985 where: short stacking energy: -182.340 Base-Backbone interact. energy: 1.107 local terms energy: -280.536181 where: bonds (distance) C4'-P energy: -67.769 bonds (distance) P-C4' energy: -79.621 flat angles C4'-P-C4' energy: -64.831 flat angles P-C4'-P energy: -39.570 tors. eta vs tors. theta energy: -28.746 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: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -450.051022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.051022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.051022 (E_RNA) where: Base-Base interactions energy: -205.754 where: short stacking energy: -113.273 Base-Backbone interact. energy: -3.182 local terms energy: -241.114662 where: bonds (distance) C4'-P energy: -56.736 bonds (distance) P-C4' energy: -73.815 flat angles C4'-P-C4' energy: -64.143 flat angles P-C4'-P energy: -45.556 tors. eta vs tors. theta energy: -0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -426.620524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.620524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.620524 (E_RNA) where: Base-Base interactions energy: -211.266 where: short stacking energy: -102.163 Base-Backbone interact. energy: 2.377 local terms energy: -217.730998 where: bonds (distance) C4'-P energy: -62.487 bonds (distance) P-C4' energy: -67.273 flat angles C4'-P-C4' energy: -57.995 flat angles P-C4'-P energy: -31.697 tors. eta vs tors. theta energy: 1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -303.687940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.687940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.687940 (E_RNA) where: Base-Base interactions energy: -95.745 where: short stacking energy: -82.967 Base-Backbone interact. energy: 1.747 local terms energy: -209.689541 where: bonds (distance) C4'-P energy: -72.090 bonds (distance) P-C4' energy: -68.587 flat angles C4'-P-C4' energy: -49.804 flat angles P-C4'-P energy: -34.671 tors. eta vs tors. theta energy: 15.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1301.382834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.382834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.382834 (E_RNA) where: Base-Base interactions energy: -880.836 where: short stacking energy: -359.217 Base-Backbone interact. energy: -1.305 local terms energy: -419.241843 where: bonds (distance) C4'-P energy: -79.968 bonds (distance) P-C4' energy: -86.039 flat angles C4'-P-C4' energy: -93.505 flat angles P-C4'-P energy: -53.604 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: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1233.831192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.831192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.831192 (E_RNA) where: Base-Base interactions energy: -836.681 where: short stacking energy: -368.794 Base-Backbone interact. energy: -1.121 local terms energy: -396.028978 where: bonds (distance) C4'-P energy: -76.587 bonds (distance) P-C4' energy: -73.794 flat angles C4'-P-C4' energy: -84.646 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: -113.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1183.845160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.845160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.845160 (E_RNA) where: Base-Base interactions energy: -791.867 where: short stacking energy: -361.644 Base-Backbone interact. energy: -0.648 local terms energy: -391.330745 where: bonds (distance) C4'-P energy: -74.089 bonds (distance) P-C4' energy: -76.605 flat angles C4'-P-C4' energy: -82.331 flat angles P-C4'-P energy: -54.468 tors. eta vs tors. theta energy: -103.838 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: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1154.246833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.246833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.246833 (E_RNA) where: Base-Base interactions energy: -743.473 where: short stacking energy: -341.989 Base-Backbone interact. energy: 0.593 local terms energy: -411.367003 where: bonds (distance) C4'-P energy: -76.866 bonds (distance) P-C4' energy: -86.690 flat angles C4'-P-C4' energy: -101.793 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -92.226 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: 5, replica: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1010.343223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.343223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.343223 (E_RNA) where: Base-Base interactions energy: -668.144 where: short stacking energy: -283.861 Base-Backbone interact. energy: -2.023 local terms energy: -340.176536 where: bonds (distance) C4'-P energy: -68.103 bonds (distance) P-C4' energy: -71.100 flat angles C4'-P-C4' energy: -71.304 flat angles P-C4'-P energy: -52.441 tors. eta vs tors. theta energy: -77.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -772.286922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.286922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.286922 (E_RNA) where: Base-Base interactions energy: -465.612 where: short stacking energy: -213.450 Base-Backbone interact. energy: -2.447 local terms energy: -304.228223 where: bonds (distance) C4'-P energy: -79.600 bonds (distance) P-C4' energy: -69.757 flat angles C4'-P-C4' energy: -70.256 flat angles P-C4'-P energy: -33.442 tors. eta vs tors. theta energy: -51.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -647.679279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.679279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.679279 (E_RNA) where: Base-Base interactions energy: -352.777 where: short stacking energy: -172.146 Base-Backbone interact. energy: 0.331 local terms energy: -295.233567 where: bonds (distance) C4'-P energy: -79.784 bonds (distance) P-C4' energy: -75.967 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -44.409 tors. eta vs tors. theta energy: -26.119 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: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -545.125591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.125591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.125591 (E_RNA) where: Base-Base interactions energy: -309.122 where: short stacking energy: -183.344 Base-Backbone interact. energy: 3.389 local terms energy: -239.393157 where: bonds (distance) C4'-P energy: -78.362 bonds (distance) P-C4' energy: -64.284 flat angles C4'-P-C4' energy: -44.519 flat angles P-C4'-P energy: -37.755 tors. eta vs tors. theta energy: -14.474 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: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -349.427691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.427691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.427691 (E_RNA) where: Base-Base interactions energy: -138.306 where: short stacking energy: -76.470 Base-Backbone interact. energy: 0.711 local terms energy: -211.832557 where: bonds (distance) C4'-P energy: -74.557 bonds (distance) P-C4' energy: -71.723 flat angles C4'-P-C4' energy: -65.163 flat angles P-C4'-P energy: -23.721 tors. eta vs tors. theta energy: 23.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -404.948053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.948053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.948053 (E_RNA) where: Base-Base interactions energy: -181.233 where: short stacking energy: -111.218 Base-Backbone interact. energy: -1.676 local terms energy: -222.038085 where: bonds (distance) C4'-P energy: -64.636 bonds (distance) P-C4' energy: -75.074 flat angles C4'-P-C4' energy: -45.038 flat angles P-C4'-P energy: -42.844 tors. eta vs tors. theta energy: 5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1297.887347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.887347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.887347 (E_RNA) where: Base-Base interactions energy: -882.960 where: short stacking energy: -384.523 Base-Backbone interact. energy: -1.144 local terms energy: -413.783436 where: bonds (distance) C4'-P energy: -71.729 bonds (distance) P-C4' energy: -81.324 flat angles C4'-P-C4' energy: -86.127 flat angles P-C4'-P energy: -63.405 tors. eta vs tors. theta energy: -111.199 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: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1192.342999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.342999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.342999 (E_RNA) where: Base-Base interactions energy: -811.549 where: short stacking energy: -324.881 Base-Backbone interact. energy: -1.145 local terms energy: -379.648979 where: bonds (distance) C4'-P energy: -71.451 bonds (distance) P-C4' energy: -75.875 flat angles C4'-P-C4' energy: -80.752 flat angles P-C4'-P energy: -63.064 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: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1202.331864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.331864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.331864 (E_RNA) where: Base-Base interactions energy: -787.438 where: short stacking energy: -351.150 Base-Backbone interact. energy: -1.763 local terms energy: -413.131385 where: bonds (distance) C4'-P energy: -81.465 bonds (distance) P-C4' energy: -77.604 flat angles C4'-P-C4' energy: -86.127 flat angles P-C4'-P energy: -62.518 tors. eta vs tors. theta energy: -105.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1109.458418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.458418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.458418 (E_RNA) where: Base-Base interactions energy: -727.730 where: short stacking energy: -345.121 Base-Backbone interact. energy: -1.111 local terms energy: -380.617008 where: bonds (distance) C4'-P energy: -66.182 bonds (distance) P-C4' energy: -74.168 flat angles C4'-P-C4' energy: -83.462 flat angles P-C4'-P energy: -58.767 tors. eta vs tors. theta energy: -98.039 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: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1044.145055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.145055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.145055 (E_RNA) where: Base-Base interactions energy: -711.150 where: short stacking energy: -298.971 Base-Backbone interact. energy: -2.484 local terms energy: -330.511026 where: bonds (distance) C4'-P energy: -65.432 bonds (distance) P-C4' energy: -60.076 flat angles C4'-P-C4' energy: -84.923 flat angles P-C4'-P energy: -40.054 tors. eta vs tors. theta energy: -80.026 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: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -768.226421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.226421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.226421 (E_RNA) where: Base-Base interactions energy: -463.019 where: short stacking energy: -211.593 Base-Backbone interact. energy: -3.680 local terms energy: -301.526832 where: bonds (distance) C4'-P energy: -78.422 bonds (distance) P-C4' energy: -70.695 flat angles C4'-P-C4' energy: -65.069 flat angles P-C4'-P energy: -40.572 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: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -667.584115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.584115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.584115 (E_RNA) where: Base-Base interactions energy: -368.338 where: short stacking energy: -200.260 Base-Backbone interact. energy: 1.566 local terms energy: -300.812478 where: bonds (distance) C4'-P energy: -70.430 bonds (distance) P-C4' energy: -71.107 flat angles C4'-P-C4' energy: -75.935 flat angles P-C4'-P energy: -51.248 tors. eta vs tors. theta energy: -32.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -510.524450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.524450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.524450 (E_RNA) where: Base-Base interactions energy: -263.433 where: short stacking energy: -124.910 Base-Backbone interact. energy: -2.065 local terms energy: -245.027191 where: bonds (distance) C4'-P energy: -71.872 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -53.729 flat angles P-C4'-P energy: -51.229 tors. eta vs tors. theta energy: -3.138 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: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -339.251323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.251323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.251323 (E_RNA) where: Base-Base interactions energy: -97.399 where: short stacking energy: -80.384 Base-Backbone interact. energy: 5.748 local terms energy: -247.600680 where: bonds (distance) C4'-P energy: -78.434 bonds (distance) P-C4' energy: -80.063 flat angles C4'-P-C4' energy: -64.355 flat angles P-C4'-P energy: -37.680 tors. eta vs tors. theta energy: 12.931 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: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -403.123435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.123435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.123435 (E_RNA) where: Base-Base interactions energy: -180.605 where: short stacking energy: -100.731 Base-Backbone interact. energy: -1.630 local terms energy: -220.888872 where: bonds (distance) C4'-P energy: -59.777 bonds (distance) P-C4' energy: -73.196 flat angles C4'-P-C4' energy: -63.371 flat angles P-C4'-P energy: -37.311 tors. eta vs tors. theta energy: 12.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1310.924381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.924381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.924381 (E_RNA) where: Base-Base interactions energy: -863.963 where: short stacking energy: -380.833 Base-Backbone interact. energy: -1.117 local terms energy: -445.845094 where: bonds (distance) C4'-P energy: -81.865 bonds (distance) P-C4' energy: -91.141 flat angles C4'-P-C4' energy: -90.980 flat angles P-C4'-P energy: -61.887 tors. eta vs tors. theta energy: -119.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1237.705260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.705260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.705260 (E_RNA) where: Base-Base interactions energy: -824.258 where: short stacking energy: -361.567 Base-Backbone interact. energy: -1.556 local terms energy: -411.891688 where: bonds (distance) C4'-P energy: -75.540 bonds (distance) P-C4' energy: -83.244 flat angles C4'-P-C4' energy: -78.742 flat angles P-C4'-P energy: -65.444 tors. eta vs tors. theta energy: -108.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1241.159268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.159268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.159268 (E_RNA) where: Base-Base interactions energy: -841.773 where: short stacking energy: -376.291 Base-Backbone interact. energy: -1.088 local terms energy: -398.297900 where: bonds (distance) C4'-P energy: -72.388 bonds (distance) P-C4' energy: -78.280 flat angles C4'-P-C4' energy: -81.040 flat angles P-C4'-P energy: -51.764 tors. eta vs tors. theta energy: -114.826 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: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1135.296929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.296929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.296929 (E_RNA) where: Base-Base interactions energy: -738.417 where: short stacking energy: -355.491 Base-Backbone interact. energy: -0.014 local terms energy: -396.865656 where: bonds (distance) C4'-P energy: -82.534 bonds (distance) P-C4' energy: -76.062 flat angles C4'-P-C4' energy: -81.475 flat angles P-C4'-P energy: -53.856 tors. eta vs tors. theta energy: -102.939 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: 5, replica: 10 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1058.145733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.145733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.145733 (E_RNA) where: Base-Base interactions energy: -670.442 where: short stacking energy: -302.665 Base-Backbone interact. energy: -2.454 local terms energy: -385.249688 where: bonds (distance) C4'-P energy: -84.312 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -79.445 flat angles P-C4'-P energy: -54.321 tors. eta vs tors. theta energy: -87.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -798.809794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.809794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.809794 (E_RNA) where: Base-Base interactions energy: -468.983 where: short stacking energy: -220.871 Base-Backbone interact. energy: -2.047 local terms energy: -327.780162 where: bonds (distance) C4'-P energy: -68.206 bonds (distance) P-C4' energy: -76.601 flat angles C4'-P-C4' energy: -81.417 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -49.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -663.375964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.375964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.375964 (E_RNA) where: Base-Base interactions energy: -395.522 where: short stacking energy: -202.704 Base-Backbone interact. energy: -1.545 local terms energy: -266.309433 where: bonds (distance) C4'-P energy: -68.067 bonds (distance) P-C4' energy: -56.847 flat angles C4'-P-C4' energy: -58.784 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: -37.101 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: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -506.520995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.520995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.520995 (E_RNA) where: Base-Base interactions energy: -266.136 where: short stacking energy: -125.116 Base-Backbone interact. energy: -2.495 local terms energy: -237.889662 where: bonds (distance) C4'-P energy: -58.913 bonds (distance) P-C4' energy: -75.201 flat angles C4'-P-C4' energy: -59.736 flat angles P-C4'-P energy: -36.800 tors. eta vs tors. theta energy: -7.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -397.069592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.069592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.069592 (E_RNA) where: Base-Base interactions energy: -193.722 where: short stacking energy: -111.632 Base-Backbone interact. energy: -0.334 local terms energy: -203.013491 where: bonds (distance) C4'-P energy: -59.729 bonds (distance) P-C4' energy: -63.880 flat angles C4'-P-C4' energy: -50.880 flat angles P-C4'-P energy: -38.734 tors. eta vs tors. theta energy: 10.210 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: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -328.748927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.748927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.748927 (E_RNA) where: Base-Base interactions energy: -127.795 where: short stacking energy: -98.911 Base-Backbone interact. energy: 0.652 local terms energy: -201.605662 where: bonds (distance) C4'-P energy: -57.162 bonds (distance) P-C4' energy: -60.430 flat angles C4'-P-C4' energy: -60.522 flat angles P-C4'-P energy: -34.089 tors. eta vs tors. theta energy: 10.597 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: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1291.723041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.723041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.723041 (E_RNA) where: Base-Base interactions energy: -882.360 where: short stacking energy: -368.241 Base-Backbone interact. energy: 1.032 local terms energy: -410.394447 where: bonds (distance) C4'-P energy: -78.284 bonds (distance) P-C4' energy: -74.931 flat angles C4'-P-C4' energy: -96.363 flat angles P-C4'-P energy: -50.756 tors. eta vs tors. theta energy: -110.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1269.423923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.423923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.423923 (E_RNA) where: Base-Base interactions energy: -858.135 where: short stacking energy: -390.161 Base-Backbone interact. energy: -1.969 local terms energy: -409.319938 where: bonds (distance) C4'-P energy: -77.025 bonds (distance) P-C4' energy: -76.668 flat angles C4'-P-C4' energy: -82.561 flat angles P-C4'-P energy: -55.187 tors. eta vs tors. theta energy: -117.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1183.405747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.405747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.405747 (E_RNA) where: Base-Base interactions energy: -796.679 where: short stacking energy: -349.960 Base-Backbone interact. energy: -2.908 local terms energy: -383.818498 where: bonds (distance) C4'-P energy: -76.848 bonds (distance) P-C4' energy: -68.337 flat angles C4'-P-C4' energy: -84.571 flat angles P-C4'-P energy: -46.745 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: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1136.116326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.116326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.116326 (E_RNA) where: Base-Base interactions energy: -731.449 where: short stacking energy: -335.677 Base-Backbone interact. energy: -2.963 local terms energy: -401.704305 where: bonds (distance) C4'-P energy: -72.518 bonds (distance) P-C4' energy: -87.909 flat angles C4'-P-C4' energy: -75.574 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: -109.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1006.127276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.127276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.127276 (E_RNA) where: Base-Base interactions energy: -653.299 where: short stacking energy: -290.425 Base-Backbone interact. energy: -3.516 local terms energy: -349.312160 where: bonds (distance) C4'-P energy: -66.513 bonds (distance) P-C4' energy: -75.458 flat angles C4'-P-C4' energy: -82.278 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: -81.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -822.837912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.837912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.837912 (E_RNA) where: Base-Base interactions energy: -513.289 where: short stacking energy: -240.056 Base-Backbone interact. energy: 0.035 local terms energy: -309.583648 where: bonds (distance) C4'-P energy: -67.306 bonds (distance) P-C4' energy: -70.742 flat angles C4'-P-C4' energy: -77.538 flat angles P-C4'-P energy: -37.262 tors. eta vs tors. theta energy: -56.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -720.281937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.281937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.281937 (E_RNA) where: Base-Base interactions energy: -405.705 where: short stacking energy: -208.024 Base-Backbone interact. energy: -1.274 local terms energy: -313.302687 where: bonds (distance) C4'-P energy: -74.103 bonds (distance) P-C4' energy: -78.237 flat angles C4'-P-C4' energy: -72.818 flat angles P-C4'-P energy: -45.682 tors. eta vs tors. theta energy: -42.463 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: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -533.874264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.874264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.874264 (E_RNA) where: Base-Base interactions energy: -275.926 where: short stacking energy: -130.188 Base-Backbone interact. energy: 0.649 local terms energy: -258.596733 where: bonds (distance) C4'-P energy: -71.245 bonds (distance) P-C4' energy: -76.111 flat angles C4'-P-C4' energy: -65.536 flat angles P-C4'-P energy: -37.088 tors. eta vs tors. theta energy: -8.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -391.347458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.347458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.347458 (E_RNA) where: Base-Base interactions energy: -187.274 where: short stacking energy: -108.958 Base-Backbone interact. energy: 6.265 local terms energy: -210.339356 where: bonds (distance) C4'-P energy: -59.628 bonds (distance) P-C4' energy: -60.839 flat angles C4'-P-C4' energy: -62.548 flat angles P-C4'-P energy: -37.217 tors. eta vs tors. theta energy: 9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -342.196497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.196497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.196497 (E_RNA) where: Base-Base interactions energy: -118.692 where: short stacking energy: -105.034 Base-Backbone interact. energy: 0.705 local terms energy: -224.209425 where: bonds (distance) C4'-P energy: -64.746 bonds (distance) P-C4' energy: -49.499 flat angles C4'-P-C4' energy: -63.419 flat angles P-C4'-P energy: -34.558 tors. eta vs tors. theta energy: -11.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1312.769931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.769931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.769931 (E_RNA) where: Base-Base interactions energy: -894.559 where: short stacking energy: -383.422 Base-Backbone interact. energy: -0.668 local terms energy: -417.542663 where: bonds (distance) C4'-P energy: -79.343 bonds (distance) P-C4' energy: -73.866 flat angles C4'-P-C4' energy: -93.113 flat angles P-C4'-P energy: -62.014 tors. eta vs tors. theta energy: -109.206 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: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1264.271534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.271534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.271534 (E_RNA) where: Base-Base interactions energy: -840.522 where: short stacking energy: -381.556 Base-Backbone interact. energy: -2.292 local terms energy: -421.457644 where: bonds (distance) C4'-P energy: -73.894 bonds (distance) P-C4' energy: -79.742 flat angles C4'-P-C4' energy: -90.700 flat angles P-C4'-P energy: -59.029 tors. eta vs tors. theta energy: -118.092 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: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1190.406512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.406512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.406512 (E_RNA) where: Base-Base interactions energy: -818.155 where: short stacking energy: -343.741 Base-Backbone interact. energy: -0.915 local terms energy: -371.336264 where: bonds (distance) C4'-P energy: -70.693 bonds (distance) P-C4' energy: -71.943 flat angles C4'-P-C4' energy: -77.643 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -96.731 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: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1117.555865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.555865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.555865 (E_RNA) where: Base-Base interactions energy: -719.782 where: short stacking energy: -314.911 Base-Backbone interact. energy: -1.690 local terms energy: -396.083516 where: bonds (distance) C4'-P energy: -76.111 bonds (distance) P-C4' energy: -86.211 flat angles C4'-P-C4' energy: -87.583 flat angles P-C4'-P energy: -54.733 tors. eta vs tors. theta energy: -91.445 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: 10 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -989.347253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.347253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.347253 (E_RNA) where: Base-Base interactions energy: -648.055 where: short stacking energy: -304.350 Base-Backbone interact. energy: -1.251 local terms energy: -340.041726 where: bonds (distance) C4'-P energy: -55.537 bonds (distance) P-C4' energy: -76.043 flat angles C4'-P-C4' energy: -75.399 flat angles P-C4'-P energy: -49.746 tors. eta vs tors. theta energy: -83.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -779.423393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.423393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.423393 (E_RNA) where: Base-Base interactions energy: -475.859 where: short stacking energy: -209.102 Base-Backbone interact. energy: 0.127 local terms energy: -303.690725 where: bonds (distance) C4'-P energy: -66.897 bonds (distance) P-C4' energy: -76.104 flat angles C4'-P-C4' energy: -69.167 flat angles P-C4'-P energy: -51.602 tors. eta vs tors. theta energy: -39.920 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: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -590.629950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.629950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.629950 (E_RNA) where: Base-Base interactions energy: -317.054 where: short stacking energy: -179.353 Base-Backbone interact. energy: -0.013 local terms energy: -273.562689 where: bonds (distance) C4'-P energy: -71.864 bonds (distance) P-C4' energy: -66.400 flat angles C4'-P-C4' energy: -67.444 flat angles P-C4'-P energy: -45.279 tors. eta vs tors. theta energy: -22.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -600.891816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.891816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.891816 (E_RNA) where: Base-Base interactions energy: -328.471 where: short stacking energy: -164.985 Base-Backbone interact. energy: 3.205 local terms energy: -275.625721 where: bonds (distance) C4'-P energy: -64.232 bonds (distance) P-C4' energy: -80.240 flat angles C4'-P-C4' energy: -63.881 flat angles P-C4'-P energy: -40.817 tors. eta vs tors. theta energy: -26.455 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: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -428.403284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.403284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.403284 (E_RNA) where: Base-Base interactions energy: -187.158 where: short stacking energy: -118.649 Base-Backbone interact. energy: -1.793 local terms energy: -239.451787 where: bonds (distance) C4'-P energy: -75.553 bonds (distance) P-C4' energy: -66.985 flat angles C4'-P-C4' energy: -61.406 flat angles P-C4'-P energy: -24.510 tors. eta vs tors. theta energy: -10.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -319.614980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.614980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.614980 (E_RNA) where: Base-Base interactions energy: -107.690 where: short stacking energy: -89.445 Base-Backbone interact. energy: -0.585 local terms energy: -211.339713 where: bonds (distance) C4'-P energy: -65.929 bonds (distance) P-C4' energy: -64.395 flat angles C4'-P-C4' energy: -45.343 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: 7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1311.081118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.081118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.081118 (E_RNA) where: Base-Base interactions energy: -893.378 where: short stacking energy: -370.690 Base-Backbone interact. energy: -1.802 local terms energy: -415.900823 where: bonds (distance) C4'-P energy: -81.430 bonds (distance) P-C4' energy: -73.419 flat angles C4'-P-C4' energy: -89.464 flat angles P-C4'-P energy: -54.869 tors. eta vs tors. theta energy: -116.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1243.970619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.970619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.970619 (E_RNA) where: Base-Base interactions energy: -828.108 where: short stacking energy: -359.391 Base-Backbone interact. energy: -3.072 local terms energy: -412.790463 where: bonds (distance) C4'-P energy: -69.476 bonds (distance) P-C4' energy: -83.808 flat angles C4'-P-C4' energy: -91.084 flat angles P-C4'-P energy: -57.819 tors. eta vs tors. theta energy: -110.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1181.768599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.768599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.768599 (E_RNA) where: Base-Base interactions energy: -786.828 where: short stacking energy: -345.005 Base-Backbone interact. energy: -0.786 local terms energy: -394.155230 where: bonds (distance) C4'-P energy: -67.298 bonds (distance) P-C4' energy: -81.838 flat angles C4'-P-C4' energy: -85.950 flat angles P-C4'-P energy: -56.889 tors. eta vs tors. theta energy: -102.180 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: 229 Temperature: 1.050000 Total energy: -1138.211733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.211733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.211733 (E_RNA) where: Base-Base interactions energy: -750.796 where: short stacking energy: -324.065 Base-Backbone interact. energy: -0.827 local terms energy: -386.588695 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -75.838 flat angles C4'-P-C4' energy: -81.471 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -99.505 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: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1029.140894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.140894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.140894 (E_RNA) where: Base-Base interactions energy: -687.702 where: short stacking energy: -306.525 Base-Backbone interact. energy: -0.960 local terms energy: -340.479057 where: bonds (distance) C4'-P energy: -73.708 bonds (distance) P-C4' energy: -57.297 flat angles C4'-P-C4' energy: -69.480 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -90.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -819.458995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.458995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.458995 (E_RNA) where: Base-Base interactions energy: -516.482 where: short stacking energy: -239.503 Base-Backbone interact. energy: -1.759 local terms energy: -301.218854 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -68.671 flat angles C4'-P-C4' energy: -81.083 flat angles P-C4'-P energy: -35.228 tors. eta vs tors. theta energy: -52.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -578.831894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.831894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.831894 (E_RNA) where: Base-Base interactions energy: -322.358 where: short stacking energy: -178.883 Base-Backbone interact. energy: 3.234 local terms energy: -259.708066 where: bonds (distance) C4'-P energy: -68.074 bonds (distance) P-C4' energy: -76.041 flat angles C4'-P-C4' energy: -64.511 flat angles P-C4'-P energy: -31.476 tors. eta vs tors. theta energy: -19.606 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: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -587.013106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.013106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.013106 (E_RNA) where: Base-Base interactions energy: -334.775 where: short stacking energy: -158.629 Base-Backbone interact. energy: -0.795 local terms energy: -251.443536 where: bonds (distance) C4'-P energy: -64.256 bonds (distance) P-C4' energy: -70.451 flat angles C4'-P-C4' energy: -60.026 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -19.444 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: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -454.774215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.774215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.774215 (E_RNA) where: Base-Base interactions energy: -207.532 where: short stacking energy: -131.555 Base-Backbone interact. energy: -0.743 local terms energy: -246.499075 where: bonds (distance) C4'-P energy: -71.456 bonds (distance) P-C4' energy: -74.917 flat angles C4'-P-C4' energy: -60.264 flat angles P-C4'-P energy: -36.336 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -325.781652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.781652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.781652 (E_RNA) where: Base-Base interactions energy: -110.445 where: short stacking energy: -83.705 Base-Backbone interact. energy: 1.353 local terms energy: -216.690254 where: bonds (distance) C4'-P energy: -65.417 bonds (distance) P-C4' energy: -71.320 flat angles C4'-P-C4' energy: -51.780 flat angles P-C4'-P energy: -38.796 tors. eta vs tors. theta energy: 10.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1316.978137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.978137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.978137 (E_RNA) where: Base-Base interactions energy: -890.801 where: short stacking energy: -381.191 Base-Backbone interact. energy: -1.177 local terms energy: -425.000216 where: bonds (distance) C4'-P energy: -81.233 bonds (distance) P-C4' energy: -81.010 flat angles C4'-P-C4' energy: -80.708 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -121.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1231.027716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.027716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.027716 (E_RNA) where: Base-Base interactions energy: -825.644 where: short stacking energy: -377.998 Base-Backbone interact. energy: -1.572 local terms energy: -403.812062 where: bonds (distance) C4'-P energy: -72.094 bonds (distance) P-C4' energy: -74.054 flat angles C4'-P-C4' energy: -82.782 flat angles P-C4'-P energy: -57.638 tors. eta vs tors. theta energy: -117.243 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: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1163.373596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.373596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.373596 (E_RNA) where: Base-Base interactions energy: -757.933 where: short stacking energy: -322.548 Base-Backbone interact. energy: -3.399 local terms energy: -402.041318 where: bonds (distance) C4'-P energy: -76.848 bonds (distance) P-C4' energy: -85.662 flat angles C4'-P-C4' energy: -82.558 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: -92.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1124.893591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.893591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.893591 (E_RNA) where: Base-Base interactions energy: -734.337 where: short stacking energy: -342.983 Base-Backbone interact. energy: -4.397 local terms energy: -386.160049 where: bonds (distance) C4'-P energy: -71.193 bonds (distance) P-C4' energy: -73.439 flat angles C4'-P-C4' energy: -84.375 flat angles P-C4'-P energy: -55.485 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: 5, replica: 10 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1043.218446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.218446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.218446 (E_RNA) where: Base-Base interactions energy: -691.290 where: short stacking energy: -289.714 Base-Backbone interact. energy: 3.791 local terms energy: -355.719680 where: bonds (distance) C4'-P energy: -74.105 bonds (distance) P-C4' energy: -60.052 flat angles C4'-P-C4' energy: -79.876 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: -87.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -783.058782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.058782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.058782 (E_RNA) where: Base-Base interactions energy: -486.109 where: short stacking energy: -214.130 Base-Backbone interact. energy: 1.412 local terms energy: -298.361665 where: bonds (distance) C4'-P energy: -71.830 bonds (distance) P-C4' energy: -68.863 flat angles C4'-P-C4' energy: -68.270 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: -46.321 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: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -631.018417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.018417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.018417 (E_RNA) where: Base-Base interactions energy: -368.406 where: short stacking energy: -177.439 Base-Backbone interact. energy: -3.208 local terms energy: -259.405111 where: bonds (distance) C4'-P energy: -69.094 bonds (distance) P-C4' energy: -74.705 flat angles C4'-P-C4' energy: -56.590 flat angles P-C4'-P energy: -36.000 tors. eta vs tors. theta energy: -23.015 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: 230 Temperature: 1.250000 Total energy: -569.181577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.181577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.181577 (E_RNA) where: Base-Base interactions energy: -327.798 where: short stacking energy: -183.470 Base-Backbone interact. energy: -2.885 local terms energy: -238.498631 where: bonds (distance) C4'-P energy: -50.163 bonds (distance) P-C4' energy: -57.398 flat angles C4'-P-C4' energy: -82.143 flat angles P-C4'-P energy: -33.288 tors. eta vs tors. theta energy: -15.507 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: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -396.035097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.035097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.035097 (E_RNA) where: Base-Base interactions energy: -194.317 where: short stacking energy: -106.554 Base-Backbone interact. energy: -0.839 local terms energy: -200.878683 where: bonds (distance) C4'-P energy: -44.572 bonds (distance) P-C4' energy: -68.969 flat angles C4'-P-C4' energy: -57.366 flat angles P-C4'-P energy: -27.336 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -303.457891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.457891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.457891 (E_RNA) where: Base-Base interactions energy: -92.901 where: short stacking energy: -75.704 Base-Backbone interact. energy: -2.897 local terms energy: -207.659403 where: bonds (distance) C4'-P energy: -63.591 bonds (distance) P-C4' energy: -57.435 flat angles C4'-P-C4' energy: -60.131 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: 15.551 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: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1320.251796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.251796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.251796 (E_RNA) where: Base-Base interactions energy: -889.357 where: short stacking energy: -385.743 Base-Backbone interact. energy: 0.888 local terms energy: -431.782183 where: bonds (distance) C4'-P energy: -73.734 bonds (distance) P-C4' energy: -78.565 flat angles C4'-P-C4' energy: -95.280 flat angles P-C4'-P energy: -63.834 tors. eta vs tors. theta energy: -120.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1261.257541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.257541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.257541 (E_RNA) where: Base-Base interactions energy: -823.761 where: short stacking energy: -368.878 Base-Backbone interact. energy: -1.020 local terms energy: -436.476392 where: bonds (distance) C4'-P energy: -78.846 bonds (distance) P-C4' energy: -77.457 flat angles C4'-P-C4' energy: -90.857 flat angles P-C4'-P energy: -67.744 tors. eta vs tors. theta energy: -121.572 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: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1125.675776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.675776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.675776 (E_RNA) where: Base-Base interactions energy: -745.912 where: short stacking energy: -314.289 Base-Backbone interact. energy: -1.548 local terms energy: -378.215650 where: bonds (distance) C4'-P energy: -68.685 bonds (distance) P-C4' energy: -70.221 flat angles C4'-P-C4' energy: -84.271 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -92.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1103.381157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.381157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.381157 (E_RNA) where: Base-Base interactions energy: -722.332 where: short stacking energy: -318.570 Base-Backbone interact. energy: -2.417 local terms energy: -378.632833 where: bonds (distance) C4'-P energy: -80.058 bonds (distance) P-C4' energy: -72.649 flat angles C4'-P-C4' energy: -83.541 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: -82.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1001.483497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.483497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.483497 (E_RNA) where: Base-Base interactions energy: -640.036 where: short stacking energy: -283.199 Base-Backbone interact. energy: -1.542 local terms energy: -359.905481 where: bonds (distance) C4'-P energy: -70.628 bonds (distance) P-C4' energy: -82.100 flat angles C4'-P-C4' energy: -81.082 flat angles P-C4'-P energy: -48.522 tors. eta vs tors. theta energy: -77.574 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: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -794.671390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.671390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.671390 (E_RNA) where: Base-Base interactions energy: -498.792 where: short stacking energy: -236.774 Base-Backbone interact. energy: -0.839 local terms energy: -295.039896 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -76.751 flat angles C4'-P-C4' energy: -64.646 flat angles P-C4'-P energy: -36.009 tors. eta vs tors. theta energy: -55.600 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: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -646.531273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.531273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.531273 (E_RNA) where: Base-Base interactions energy: -374.779 where: short stacking energy: -169.367 Base-Backbone interact. energy: -2.418 local terms energy: -269.334952 where: bonds (distance) C4'-P energy: -67.649 bonds (distance) P-C4' energy: -65.138 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -44.843 tors. eta vs tors. theta energy: -29.986 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: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -597.512912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.512912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.512912 (E_RNA) where: Base-Base interactions energy: -312.093 where: short stacking energy: -170.385 Base-Backbone interact. energy: -2.967 local terms energy: -282.452835 where: bonds (distance) C4'-P energy: -68.520 bonds (distance) P-C4' energy: -83.730 flat angles C4'-P-C4' energy: -71.682 flat angles P-C4'-P energy: -32.767 tors. eta vs tors. theta energy: -25.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -420.399202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.399202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.399202 (E_RNA) where: Base-Base interactions energy: -196.478 where: short stacking energy: -114.792 Base-Backbone interact. energy: 5.783 local terms energy: -229.704444 where: bonds (distance) C4'-P energy: -74.037 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -50.334 flat angles P-C4'-P energy: -36.039 tors. eta vs tors. theta energy: 1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -335.982407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.982407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.982407 (E_RNA) where: Base-Base interactions energy: -125.997 where: short stacking energy: -82.232 Base-Backbone interact. energy: -0.116 local terms energy: -209.869409 where: bonds (distance) C4'-P energy: -59.340 bonds (distance) P-C4' energy: -67.502 flat angles C4'-P-C4' energy: -68.413 flat angles P-C4'-P energy: -23.569 tors. eta vs tors. theta energy: 8.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1320.937147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.937147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.937147 (E_RNA) where: Base-Base interactions energy: -908.992 where: short stacking energy: -394.390 Base-Backbone interact. energy: 5.152 local terms energy: -417.097650 where: bonds (distance) C4'-P energy: -75.985 bonds (distance) P-C4' energy: -81.097 flat angles C4'-P-C4' energy: -90.707 flat angles P-C4'-P energy: -47.825 tors. eta vs tors. theta energy: -121.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1242.324202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.324202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.324202 (E_RNA) where: Base-Base interactions energy: -824.315 where: short stacking energy: -374.237 Base-Backbone interact. energy: 0.574 local terms energy: -418.583373 where: bonds (distance) C4'-P energy: -68.735 bonds (distance) P-C4' energy: -79.243 flat angles C4'-P-C4' energy: -94.495 flat angles P-C4'-P energy: -64.379 tors. eta vs tors. theta energy: -111.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1163.000977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.000977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.000977 (E_RNA) where: Base-Base interactions energy: -749.619 where: short stacking energy: -347.264 Base-Backbone interact. energy: 0.201 local terms energy: -413.582796 where: bonds (distance) C4'-P energy: -83.403 bonds (distance) P-C4' energy: -85.826 flat angles C4'-P-C4' energy: -83.004 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: -99.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1122.203625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.203625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.203625 (E_RNA) where: Base-Base interactions energy: -744.809 where: short stacking energy: -334.097 Base-Backbone interact. energy: 0.115 local terms energy: -377.510017 where: bonds (distance) C4'-P energy: -65.867 bonds (distance) P-C4' energy: -84.753 flat angles C4'-P-C4' energy: -79.225 flat angles P-C4'-P energy: -52.065 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: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1034.264327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.264327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.264327 (E_RNA) where: Base-Base interactions energy: -677.206 where: short stacking energy: -292.913 Base-Backbone interact. energy: 4.438 local terms energy: -361.496708 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -67.796 flat angles C4'-P-C4' energy: -84.405 flat angles P-C4'-P energy: -58.343 tors. eta vs tors. theta energy: -82.618 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: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -813.168194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.168194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.168194 (E_RNA) where: Base-Base interactions energy: -508.249 where: short stacking energy: -240.173 Base-Backbone interact. energy: -2.923 local terms energy: -301.996736 where: bonds (distance) C4'-P energy: -69.334 bonds (distance) P-C4' energy: -66.942 flat angles C4'-P-C4' energy: -66.987 flat angles P-C4'-P energy: -45.667 tors. eta vs tors. theta energy: -53.066 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: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -668.416685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.416685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.416685 (E_RNA) where: Base-Base interactions energy: -394.233 where: short stacking energy: -199.882 Base-Backbone interact. energy: 0.136 local terms energy: -274.320359 where: bonds (distance) C4'-P energy: -62.767 bonds (distance) P-C4' energy: -69.817 flat angles C4'-P-C4' energy: -71.792 flat angles P-C4'-P energy: -25.090 tors. eta vs tors. theta energy: -44.854 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: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -561.187238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.187238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.187238 (E_RNA) where: Base-Base interactions energy: -324.078 where: short stacking energy: -155.708 Base-Backbone interact. energy: 0.564 local terms energy: -237.673208 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -68.248 flat angles C4'-P-C4' energy: -55.309 flat angles P-C4'-P energy: -31.819 tors. eta vs tors. theta energy: -14.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -412.339869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.339869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.339869 (E_RNA) where: Base-Base interactions energy: -212.757 where: short stacking energy: -131.798 Base-Backbone interact. energy: -1.912 local terms energy: -197.670419 where: bonds (distance) C4'-P energy: -65.357 bonds (distance) P-C4' energy: -59.813 flat angles C4'-P-C4' energy: -51.986 flat angles P-C4'-P energy: -25.881 tors. eta vs tors. theta energy: 5.367 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: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -303.866282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.866282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.866282 (E_RNA) where: Base-Base interactions energy: -95.453 where: short stacking energy: -78.267 Base-Backbone interact. energy: 5.817 local terms energy: -214.230704 where: bonds (distance) C4'-P energy: -62.561 bonds (distance) P-C4' energy: -65.067 flat angles C4'-P-C4' energy: -40.749 flat angles P-C4'-P energy: -47.647 tors. eta vs tors. theta energy: 1.793 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: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1320.302580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.302580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.302580 (E_RNA) where: Base-Base interactions energy: -909.914 where: short stacking energy: -388.373 Base-Backbone interact. energy: -0.859 local terms energy: -409.529499 where: bonds (distance) C4'-P energy: -75.589 bonds (distance) P-C4' energy: -68.892 flat angles C4'-P-C4' energy: -95.367 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -119.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1240.563965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.563965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.563965 (E_RNA) where: Base-Base interactions energy: -833.163 where: short stacking energy: -376.150 Base-Backbone interact. energy: 0.003 local terms energy: -407.404215 where: bonds (distance) C4'-P energy: -77.961 bonds (distance) P-C4' energy: -73.014 flat angles C4'-P-C4' energy: -96.492 flat angles P-C4'-P energy: -53.940 tors. eta vs tors. theta energy: -105.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1162.954934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.954934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.954934 (E_RNA) where: Base-Base interactions energy: -791.902 where: short stacking energy: -345.319 Base-Backbone interact. energy: 0.033 local terms energy: -371.086189 where: bonds (distance) C4'-P energy: -64.479 bonds (distance) P-C4' energy: -78.044 flat angles C4'-P-C4' energy: -79.479 flat angles P-C4'-P energy: -46.084 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: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1125.005894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.005894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.005894 (E_RNA) where: Base-Base interactions energy: -749.919 where: short stacking energy: -350.854 Base-Backbone interact. energy: -2.474 local terms energy: -372.612867 where: bonds (distance) C4'-P energy: -75.265 bonds (distance) P-C4' energy: -70.148 flat angles C4'-P-C4' energy: -76.942 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -102.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1064.292091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.292091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.292091 (E_RNA) where: Base-Base interactions energy: -709.692 where: short stacking energy: -304.876 Base-Backbone interact. energy: -0.561 local terms energy: -354.038168 where: bonds (distance) C4'-P energy: -65.636 bonds (distance) P-C4' energy: -75.736 flat angles C4'-P-C4' energy: -77.850 flat angles P-C4'-P energy: -49.341 tors. eta vs tors. theta energy: -85.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -815.272632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.272632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.272632 (E_RNA) where: Base-Base interactions energy: -501.613 where: short stacking energy: -221.775 Base-Backbone interact. energy: -1.632 local terms energy: -312.028229 where: bonds (distance) C4'-P energy: -68.285 bonds (distance) P-C4' energy: -76.559 flat angles C4'-P-C4' energy: -60.937 flat angles P-C4'-P energy: -51.411 tors. eta vs tors. theta energy: -54.835 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: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -743.934421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.934421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.934421 (E_RNA) where: Base-Base interactions energy: -446.025 where: short stacking energy: -203.399 Base-Backbone interact. energy: 1.523 local terms energy: -299.432702 where: bonds (distance) C4'-P energy: -65.819 bonds (distance) P-C4' energy: -76.802 flat angles C4'-P-C4' energy: -61.173 flat angles P-C4'-P energy: -48.411 tors. eta vs tors. theta energy: -47.228 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: 233 Temperature: 1.250000 Total energy: -609.999165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.999165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.999165 (E_RNA) where: Base-Base interactions energy: -347.146 where: short stacking energy: -175.088 Base-Backbone interact. energy: -1.027 local terms energy: -261.825675 where: bonds (distance) C4'-P energy: -64.890 bonds (distance) P-C4' energy: -66.601 flat angles C4'-P-C4' energy: -72.127 flat angles P-C4'-P energy: -38.468 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -422.436818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.436818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.436818 (E_RNA) where: Base-Base interactions energy: -175.692 where: short stacking energy: -104.733 Base-Backbone interact. energy: 0.667 local terms energy: -247.412172 where: bonds (distance) C4'-P energy: -68.782 bonds (distance) P-C4' energy: -72.783 flat angles C4'-P-C4' energy: -64.640 flat angles P-C4'-P energy: -42.769 tors. eta vs tors. theta energy: 1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -307.292751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.292751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.292751 (E_RNA) where: Base-Base interactions energy: -105.015 where: short stacking energy: -79.036 Base-Backbone interact. energy: -0.989 local terms energy: -201.288297 where: bonds (distance) C4'-P energy: -59.295 bonds (distance) P-C4' energy: -66.702 flat angles C4'-P-C4' energy: -58.428 flat angles P-C4'-P energy: -32.557 tors. eta vs tors. theta energy: 15.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1314.597342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.597342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.597342 (E_RNA) where: Base-Base interactions energy: -880.592 where: short stacking energy: -387.280 Base-Backbone interact. energy: -2.544 local terms energy: -431.461339 where: bonds (distance) C4'-P energy: -84.735 bonds (distance) P-C4' energy: -79.701 flat angles C4'-P-C4' energy: -95.644 flat angles P-C4'-P energy: -59.577 tors. eta vs tors. theta energy: -111.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1249.329599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.329599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.329599 (E_RNA) where: Base-Base interactions energy: -846.121 where: short stacking energy: -361.961 Base-Backbone interact. energy: -2.358 local terms energy: -400.850324 where: bonds (distance) C4'-P energy: -76.536 bonds (distance) P-C4' energy: -78.331 flat angles C4'-P-C4' energy: -86.551 flat angles P-C4'-P energy: -59.099 tors. eta vs tors. theta energy: -100.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1177.594369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.594369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.594369 (E_RNA) where: Base-Base interactions energy: -794.652 where: short stacking energy: -353.027 Base-Backbone interact. energy: -2.759 local terms energy: -380.182825 where: bonds (distance) C4'-P energy: -62.538 bonds (distance) P-C4' energy: -86.997 flat angles C4'-P-C4' energy: -76.892 flat angles P-C4'-P energy: -54.137 tors. eta vs tors. theta energy: -99.619 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: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1125.553840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.553840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.553840 (E_RNA) where: Base-Base interactions energy: -764.341 where: short stacking energy: -321.016 Base-Backbone interact. energy: -0.015 local terms energy: -361.197388 where: bonds (distance) C4'-P energy: -64.884 bonds (distance) P-C4' energy: -70.730 flat angles C4'-P-C4' energy: -78.151 flat angles P-C4'-P energy: -49.509 tors. eta vs tors. theta energy: -97.924 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: 5, replica: 10 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1054.576062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.576062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.576062 (E_RNA) where: Base-Base interactions energy: -678.315 where: short stacking energy: -303.834 Base-Backbone interact. energy: -0.149 local terms energy: -376.112039 where: bonds (distance) C4'-P energy: -73.236 bonds (distance) P-C4' energy: -72.996 flat angles C4'-P-C4' energy: -82.920 flat angles P-C4'-P energy: -61.619 tors. eta vs tors. theta energy: -85.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -869.449358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.449358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.449358 (E_RNA) where: Base-Base interactions energy: -572.775 where: short stacking energy: -256.181 Base-Backbone interact. energy: -1.543 local terms energy: -295.131884 where: bonds (distance) C4'-P energy: -60.562 bonds (distance) P-C4' energy: -70.170 flat angles C4'-P-C4' energy: -62.108 flat angles P-C4'-P energy: -52.084 tors. eta vs tors. theta energy: -50.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -724.982459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.982459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.982459 (E_RNA) where: Base-Base interactions energy: -444.184 where: short stacking energy: -198.145 Base-Backbone interact. energy: -0.738 local terms energy: -280.060347 where: bonds (distance) C4'-P energy: -66.448 bonds (distance) P-C4' energy: -72.558 flat angles C4'-P-C4' energy: -60.363 flat angles P-C4'-P energy: -36.615 tors. eta vs tors. theta energy: -44.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -600.322793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.322793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.322793 (E_RNA) where: Base-Base interactions energy: -346.818 where: short stacking energy: -172.830 Base-Backbone interact. energy: -1.585 local terms energy: -251.920507 where: bonds (distance) C4'-P energy: -69.854 bonds (distance) P-C4' energy: -59.003 flat angles C4'-P-C4' energy: -53.419 flat angles P-C4'-P energy: -38.800 tors. eta vs tors. theta energy: -30.844 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: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -392.544694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.544694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.544694 (E_RNA) where: Base-Base interactions energy: -162.196 where: short stacking energy: -102.708 Base-Backbone interact. energy: 0.727 local terms energy: -231.075592 where: bonds (distance) C4'-P energy: -76.176 bonds (distance) P-C4' energy: -80.520 flat angles C4'-P-C4' energy: -59.957 flat angles P-C4'-P energy: -27.040 tors. eta vs tors. theta energy: 12.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -323.130067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.130067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.130067 (E_RNA) where: Base-Base interactions energy: -124.952 where: short stacking energy: -93.297 Base-Backbone interact. energy: 3.597 local terms energy: -201.775613 where: bonds (distance) C4'-P energy: -69.850 bonds (distance) P-C4' energy: -59.164 flat angles C4'-P-C4' energy: -55.312 flat angles P-C4'-P energy: -33.135 tors. eta vs tors. theta energy: 15.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1338.182193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.182193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.182193 (E_RNA) where: Base-Base interactions energy: -905.267 where: short stacking energy: -379.424 Base-Backbone interact. energy: 0.788 local terms energy: -433.703207 where: bonds (distance) C4'-P energy: -85.945 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -91.172 flat angles P-C4'-P energy: -63.155 tors. eta vs tors. theta energy: -109.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1263.634869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.634869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.634869 (E_RNA) where: Base-Base interactions energy: -844.352 where: short stacking energy: -376.292 Base-Backbone interact. energy: -1.715 local terms energy: -417.567921 where: bonds (distance) C4'-P energy: -79.254 bonds (distance) P-C4' energy: -75.819 flat angles C4'-P-C4' energy: -88.931 flat angles P-C4'-P energy: -61.695 tors. eta vs tors. theta energy: -111.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1196.319852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.319852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.319852 (E_RNA) where: Base-Base interactions energy: -787.601 where: short stacking energy: -369.790 Base-Backbone interact. energy: -4.272 local terms energy: -404.446758 where: bonds (distance) C4'-P energy: -67.848 bonds (distance) P-C4' energy: -89.735 flat angles C4'-P-C4' energy: -88.260 flat angles P-C4'-P energy: -51.176 tors. eta vs tors. theta energy: -107.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1053.763473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.763473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.763473 (E_RNA) where: Base-Base interactions energy: -681.818 where: short stacking energy: -290.460 Base-Backbone interact. energy: 1.404 local terms energy: -373.350223 where: bonds (distance) C4'-P energy: -78.195 bonds (distance) P-C4' energy: -82.350 flat angles C4'-P-C4' energy: -86.053 flat angles P-C4'-P energy: -49.856 tors. eta vs tors. theta energy: -76.896 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: 5, replica: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1054.404980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.404980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.404980 (E_RNA) where: Base-Base interactions energy: -696.831 where: short stacking energy: -304.190 Base-Backbone interact. energy: -0.857 local terms energy: -356.716726 where: bonds (distance) C4'-P energy: -65.906 bonds (distance) P-C4' energy: -78.694 flat angles C4'-P-C4' energy: -74.020 flat angles P-C4'-P energy: -47.734 tors. eta vs tors. theta energy: -90.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -844.724923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.724923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.724923 (E_RNA) where: Base-Base interactions energy: -525.506 where: short stacking energy: -243.914 Base-Backbone interact. energy: -1.928 local terms energy: -317.290429 where: bonds (distance) C4'-P energy: -81.639 bonds (distance) P-C4' energy: -69.417 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -44.157 tors. eta vs tors. theta energy: -62.895 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: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -647.798679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.798679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.798679 (E_RNA) where: Base-Base interactions energy: -360.009 where: short stacking energy: -199.193 Base-Backbone interact. energy: -2.599 local terms energy: -285.190159 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -73.399 flat angles C4'-P-C4' energy: -65.765 flat angles P-C4'-P energy: -41.994 tors. eta vs tors. theta energy: -36.019 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: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -577.314458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.314458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.314458 (E_RNA) where: Base-Base interactions energy: -329.547 where: short stacking energy: -169.241 Base-Backbone interact. energy: 3.125 local terms energy: -250.892743 where: bonds (distance) C4'-P energy: -68.805 bonds (distance) P-C4' energy: -71.245 flat angles C4'-P-C4' energy: -53.109 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -14.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -410.009518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.009518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.009518 (E_RNA) where: Base-Base interactions energy: -159.528 where: short stacking energy: -98.489 Base-Backbone interact. energy: 0.537 local terms energy: -251.017695 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -73.620 flat angles C4'-P-C4' energy: -75.444 flat angles P-C4'-P energy: -45.985 tors. eta vs tors. theta energy: 0.559 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: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -311.652415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.652415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.652415 (E_RNA) where: Base-Base interactions energy: -87.943 where: short stacking energy: -77.152 Base-Backbone interact. energy: -0.062 local terms energy: -223.646951 where: bonds (distance) C4'-P energy: -71.922 bonds (distance) P-C4' energy: -71.365 flat angles C4'-P-C4' energy: -69.827 flat angles P-C4'-P energy: -31.033 tors. eta vs tors. theta energy: 20.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1311.889143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.889143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.889143 (E_RNA) where: Base-Base interactions energy: -907.463 where: short stacking energy: -357.031 Base-Backbone interact. energy: -0.091 local terms energy: -404.335265 where: bonds (distance) C4'-P energy: -74.760 bonds (distance) P-C4' energy: -77.604 flat angles C4'-P-C4' energy: -84.546 flat angles P-C4'-P energy: -63.163 tors. eta vs tors. theta energy: -104.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1249.513172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.513172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.513172 (E_RNA) where: Base-Base interactions energy: -828.683 where: short stacking energy: -383.654 Base-Backbone interact. energy: -1.247 local terms energy: -419.583575 where: bonds (distance) C4'-P energy: -74.290 bonds (distance) P-C4' energy: -71.693 flat angles C4'-P-C4' energy: -95.643 flat angles P-C4'-P energy: -61.768 tors. eta vs tors. theta energy: -116.189 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: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1192.454046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.454046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.454046 (E_RNA) where: Base-Base interactions energy: -789.273 where: short stacking energy: -355.350 Base-Backbone interact. energy: -3.510 local terms energy: -399.671558 where: bonds (distance) C4'-P energy: -77.109 bonds (distance) P-C4' energy: -76.370 flat angles C4'-P-C4' energy: -79.584 flat angles P-C4'-P energy: -56.165 tors. eta vs tors. theta energy: -110.443 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: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1069.518276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.518276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.518276 (E_RNA) where: Base-Base interactions energy: -687.126 where: short stacking energy: -304.216 Base-Backbone interact. energy: -2.147 local terms energy: -380.245261 where: bonds (distance) C4'-P energy: -72.880 bonds (distance) P-C4' energy: -79.633 flat angles C4'-P-C4' energy: -75.901 flat angles P-C4'-P energy: -64.237 tors. eta vs tors. theta energy: -87.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -997.741261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.741261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.741261 (E_RNA) where: Base-Base interactions energy: -656.754 where: short stacking energy: -279.071 Base-Backbone interact. energy: -2.421 local terms energy: -338.566678 where: bonds (distance) C4'-P energy: -63.697 bonds (distance) P-C4' energy: -60.567 flat angles C4'-P-C4' energy: -77.388 flat angles P-C4'-P energy: -54.030 tors. eta vs tors. theta energy: -82.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -849.521858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.521858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.521858 (E_RNA) where: Base-Base interactions energy: -523.312 where: short stacking energy: -239.822 Base-Backbone interact. energy: 1.129 local terms energy: -327.338317 where: bonds (distance) C4'-P energy: -70.579 bonds (distance) P-C4' energy: -68.152 flat angles C4'-P-C4' energy: -79.538 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: -56.151 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: 7, replica: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -710.884198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.884198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.884198 (E_RNA) where: Base-Base interactions energy: -426.503 where: short stacking energy: -209.080 Base-Backbone interact. energy: 1.054 local terms energy: -285.435549 where: bonds (distance) C4'-P energy: -58.541 bonds (distance) P-C4' energy: -73.655 flat angles C4'-P-C4' energy: -69.304 flat angles P-C4'-P energy: -42.618 tors. eta vs tors. theta energy: -41.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -584.922176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.922176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.922176 (E_RNA) where: Base-Base interactions energy: -318.362 where: short stacking energy: -128.460 Base-Backbone interact. energy: 5.897 local terms energy: -272.457775 where: bonds (distance) C4'-P energy: -67.186 bonds (distance) P-C4' energy: -63.888 flat angles C4'-P-C4' energy: -70.151 flat angles P-C4'-P energy: -46.342 tors. eta vs tors. theta energy: -24.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -395.379456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.379456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.379456 (E_RNA) where: Base-Base interactions energy: -183.454 where: short stacking energy: -115.946 Base-Backbone interact. energy: -0.659 local terms energy: -211.266917 where: bonds (distance) C4'-P energy: -72.956 bonds (distance) P-C4' energy: -54.621 flat angles C4'-P-C4' energy: -58.593 flat angles P-C4'-P energy: -21.202 tors. eta vs tors. theta energy: -3.896 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: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -327.208802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.208802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.208802 (E_RNA) where: Base-Base interactions energy: -108.184 where: short stacking energy: -91.875 Base-Backbone interact. energy: -1.105 local terms energy: -217.920144 where: bonds (distance) C4'-P energy: -59.565 bonds (distance) P-C4' energy: -78.289 flat angles C4'-P-C4' energy: -54.672 flat angles P-C4'-P energy: -27.128 tors. eta vs tors. theta energy: 1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1316.174234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.174234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.174234 (E_RNA) where: Base-Base interactions energy: -887.607 where: short stacking energy: -375.058 Base-Backbone interact. energy: 0.162 local terms energy: -428.728471 where: bonds (distance) C4'-P energy: -74.864 bonds (distance) P-C4' energy: -90.927 flat angles C4'-P-C4' energy: -91.864 flat angles P-C4'-P energy: -57.476 tors. eta vs tors. theta energy: -113.598 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: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1231.291286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.291286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.291286 (E_RNA) where: Base-Base interactions energy: -807.054 where: short stacking energy: -387.010 Base-Backbone interact. energy: -1.675 local terms energy: -422.562266 where: bonds (distance) C4'-P energy: -79.832 bonds (distance) P-C4' energy: -77.825 flat angles C4'-P-C4' energy: -86.273 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -119.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1170.774689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.774689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.774689 (E_RNA) where: Base-Base interactions energy: -751.700 where: short stacking energy: -341.958 Base-Backbone interact. energy: 2.644 local terms energy: -421.718107 where: bonds (distance) C4'-P energy: -79.794 bonds (distance) P-C4' energy: -85.505 flat angles C4'-P-C4' energy: -89.514 flat angles P-C4'-P energy: -64.412 tors. eta vs tors. theta energy: -102.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -986.947114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.947114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.947114 (E_RNA) where: Base-Base interactions energy: -653.932 where: short stacking energy: -282.155 Base-Backbone interact. energy: 0.355 local terms energy: -333.369687 where: bonds (distance) C4'-P energy: -67.868 bonds (distance) P-C4' energy: -77.719 flat angles C4'-P-C4' energy: -77.457 flat angles P-C4'-P energy: -41.257 tors. eta vs tors. theta energy: -69.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1049.284894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.284894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.284894 (E_RNA) where: Base-Base interactions energy: -689.174 where: short stacking energy: -297.217 Base-Backbone interact. energy: -0.755 local terms energy: -359.355247 where: bonds (distance) C4'-P energy: -62.416 bonds (distance) P-C4' energy: -74.719 flat angles C4'-P-C4' energy: -74.386 flat angles P-C4'-P energy: -60.088 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: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -872.092298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.092298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.092298 (E_RNA) where: Base-Base interactions energy: -565.504 where: short stacking energy: -245.691 Base-Backbone interact. energy: 3.087 local terms energy: -309.675843 where: bonds (distance) C4'-P energy: -67.794 bonds (distance) P-C4' energy: -85.099 flat angles C4'-P-C4' energy: -60.399 flat angles P-C4'-P energy: -53.397 tors. eta vs tors. theta energy: -42.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -794.458794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.458794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.458794 (E_RNA) where: Base-Base interactions energy: -495.050 where: short stacking energy: -231.060 Base-Backbone interact. energy: -0.764 local terms energy: -298.645183 where: bonds (distance) C4'-P energy: -67.029 bonds (distance) P-C4' energy: -64.310 flat angles C4'-P-C4' energy: -75.752 flat angles P-C4'-P energy: -37.602 tors. eta vs tors. theta energy: -53.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -556.810443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.810443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.810443 (E_RNA) where: Base-Base interactions energy: -292.178 where: short stacking energy: -175.006 Base-Backbone interact. energy: 0.210 local terms energy: -264.842967 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -68.797 flat angles C4'-P-C4' energy: -56.281 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -27.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -424.612468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.612468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.612468 (E_RNA) where: Base-Base interactions energy: -193.477 where: short stacking energy: -135.650 Base-Backbone interact. energy: -2.916 local terms energy: -228.219331 where: bonds (distance) C4'-P energy: -54.760 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -56.190 flat angles P-C4'-P energy: -44.355 tors. eta vs tors. theta energy: -9.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -311.375330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.375330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.375330 (E_RNA) where: Base-Base interactions energy: -108.386 where: short stacking energy: -80.582 Base-Backbone interact. energy: 0.739 local terms energy: -203.727923 where: bonds (distance) C4'-P energy: -59.614 bonds (distance) P-C4' energy: -72.475 flat angles C4'-P-C4' energy: -52.979 flat angles P-C4'-P energy: -33.310 tors. eta vs tors. theta energy: 14.649 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: 6 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1315.729200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.729200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.729200 (E_RNA) where: Base-Base interactions energy: -892.714 where: short stacking energy: -366.352 Base-Backbone interact. energy: -1.489 local terms energy: -421.526577 where: bonds (distance) C4'-P energy: -71.311 bonds (distance) P-C4' energy: -85.235 flat angles C4'-P-C4' energy: -94.883 flat angles P-C4'-P energy: -56.068 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: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1252.261316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.261316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.261316 (E_RNA) where: Base-Base interactions energy: -837.654 where: short stacking energy: -377.185 Base-Backbone interact. energy: -0.490 local terms energy: -414.116895 where: bonds (distance) C4'-P energy: -76.429 bonds (distance) P-C4' energy: -72.454 flat angles C4'-P-C4' energy: -90.689 flat angles P-C4'-P energy: -58.759 tors. eta vs tors. theta energy: -115.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1222.622761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.622761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.622761 (E_RNA) where: Base-Base interactions energy: -838.745 where: short stacking energy: -329.761 Base-Backbone interact. energy: -3.596 local terms energy: -380.282243 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -71.560 flat angles C4'-P-C4' energy: -83.436 flat angles P-C4'-P energy: -62.405 tors. eta vs tors. theta energy: -103.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -988.088247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.088247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.088247 (E_RNA) where: Base-Base interactions energy: -643.141 where: short stacking energy: -259.726 Base-Backbone interact. energy: 1.716 local terms energy: -346.662751 where: bonds (distance) C4'-P energy: -72.260 bonds (distance) P-C4' energy: -76.064 flat angles C4'-P-C4' energy: -80.564 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -68.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1048.081280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.081280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.081280 (E_RNA) where: Base-Base interactions energy: -686.995 where: short stacking energy: -306.634 Base-Backbone interact. energy: 1.564 local terms energy: -362.650348 where: bonds (distance) C4'-P energy: -61.759 bonds (distance) P-C4' energy: -73.133 flat angles C4'-P-C4' energy: -85.073 flat angles P-C4'-P energy: -51.600 tors. eta vs tors. theta energy: -91.085 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: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -848.071900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.071900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.071900 (E_RNA) where: Base-Base interactions energy: -542.488 where: short stacking energy: -236.287 Base-Backbone interact. energy: -1.492 local terms energy: -304.091970 where: bonds (distance) C4'-P energy: -62.331 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -83.213 flat angles P-C4'-P energy: -45.105 tors. eta vs tors. theta energy: -52.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -775.155934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.155934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.155934 (E_RNA) where: Base-Base interactions energy: -475.615 where: short stacking energy: -183.373 Base-Backbone interact. energy: -0.979 local terms energy: -298.562666 where: bonds (distance) C4'-P energy: -69.245 bonds (distance) P-C4' energy: -65.141 flat angles C4'-P-C4' energy: -85.824 flat angles P-C4'-P energy: -44.288 tors. eta vs tors. theta energy: -34.064 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: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -549.194941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.194941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.194941 (E_RNA) where: Base-Base interactions energy: -285.997 where: short stacking energy: -153.016 Base-Backbone interact. energy: -2.483 local terms energy: -260.714925 where: bonds (distance) C4'-P energy: -63.369 bonds (distance) P-C4' energy: -77.951 flat angles C4'-P-C4' energy: -55.598 flat angles P-C4'-P energy: -37.835 tors. eta vs tors. theta energy: -25.962 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: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -338.599711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.599711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.599711 (E_RNA) where: Base-Base interactions energy: -108.980 where: short stacking energy: -83.056 Base-Backbone interact. energy: -0.627 local terms energy: -228.992977 where: bonds (distance) C4'-P energy: -73.743 bonds (distance) P-C4' energy: -64.153 flat angles C4'-P-C4' energy: -63.353 flat angles P-C4'-P energy: -32.687 tors. eta vs tors. theta energy: 4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -339.934318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.934318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.934318 (E_RNA) where: Base-Base interactions energy: -136.406 where: short stacking energy: -94.770 Base-Backbone interact. energy: -2.239 local terms energy: -201.289928 where: bonds (distance) C4'-P energy: -53.338 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -58.232 flat angles P-C4'-P energy: -31.026 tors. eta vs tors. theta energy: 3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1314.816978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.816978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.816978 (E_RNA) where: Base-Base interactions energy: -886.250 where: short stacking energy: -372.747 Base-Backbone interact. energy: -2.815 local terms energy: -425.752752 where: bonds (distance) C4'-P energy: -79.202 bonds (distance) P-C4' energy: -78.785 flat angles C4'-P-C4' energy: -101.436 flat angles P-C4'-P energy: -54.012 tors. eta vs tors. theta energy: -112.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1247.953417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.953417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.953417 (E_RNA) where: Base-Base interactions energy: -826.190 where: short stacking energy: -353.911 Base-Backbone interact. energy: 0.513 local terms energy: -422.276187 where: bonds (distance) C4'-P energy: -82.729 bonds (distance) P-C4' energy: -82.367 flat angles C4'-P-C4' energy: -86.843 flat angles P-C4'-P energy: -59.652 tors. eta vs tors. theta energy: -110.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1173.385850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.385850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.385850 (E_RNA) where: Base-Base interactions energy: -778.912 where: short stacking energy: -349.515 Base-Backbone interact. energy: -1.203 local terms energy: -393.270991 where: bonds (distance) C4'-P energy: -82.386 bonds (distance) P-C4' energy: -70.441 flat angles C4'-P-C4' energy: -75.251 flat angles P-C4'-P energy: -60.913 tors. eta vs tors. theta energy: -104.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1042.099273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.099273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.099273 (E_RNA) where: Base-Base interactions energy: -682.540 where: short stacking energy: -280.131 Base-Backbone interact. energy: -0.103 local terms energy: -359.455922 where: bonds (distance) C4'-P energy: -73.608 bonds (distance) P-C4' energy: -77.922 flat angles C4'-P-C4' energy: -79.196 flat angles P-C4'-P energy: -50.138 tors. eta vs tors. theta energy: -78.592 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: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1105.236651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.236651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.236651 (E_RNA) where: Base-Base interactions energy: -747.749 where: short stacking energy: -344.610 Base-Backbone interact. energy: -1.587 local terms energy: -355.900677 where: bonds (distance) C4'-P energy: -64.182 bonds (distance) P-C4' energy: -62.623 flat angles C4'-P-C4' energy: -76.034 flat angles P-C4'-P energy: -54.456 tors. eta vs tors. theta energy: -98.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -892.861023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.861023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.861023 (E_RNA) where: Base-Base interactions energy: -584.834 where: short stacking energy: -250.598 Base-Backbone interact. energy: -1.340 local terms energy: -306.687257 where: bonds (distance) C4'-P energy: -67.286 bonds (distance) P-C4' energy: -57.756 flat angles C4'-P-C4' energy: -66.741 flat angles P-C4'-P energy: -47.600 tors. eta vs tors. theta energy: -67.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -769.373546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.373546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.373546 (E_RNA) where: Base-Base interactions energy: -482.014 where: short stacking energy: -225.036 Base-Backbone interact. energy: -1.311 local terms energy: -286.047930 where: bonds (distance) C4'-P energy: -68.899 bonds (distance) P-C4' energy: -69.396 flat angles C4'-P-C4' energy: -56.335 flat angles P-C4'-P energy: -47.380 tors. eta vs tors. theta energy: -44.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -569.373446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.373446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.373446 (E_RNA) where: Base-Base interactions energy: -326.459 where: short stacking energy: -152.371 Base-Backbone interact. energy: 0.437 local terms energy: -243.351326 where: bonds (distance) C4'-P energy: -52.228 bonds (distance) P-C4' energy: -62.998 flat angles C4'-P-C4' energy: -61.803 flat angles P-C4'-P energy: -49.464 tors. eta vs tors. theta energy: -16.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -349.635464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.635464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.635464 (E_RNA) where: Base-Base interactions energy: -134.193 where: short stacking energy: -75.866 Base-Backbone interact. energy: 3.885 local terms energy: -219.326746 where: bonds (distance) C4'-P energy: -61.872 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -65.861 flat angles P-C4'-P energy: -38.153 tors. eta vs tors. theta energy: 12.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -354.009790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.009790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.009790 (E_RNA) where: Base-Base interactions energy: -145.347 where: short stacking energy: -121.370 Base-Backbone interact. energy: -0.928 local terms energy: -207.735425 where: bonds (distance) C4'-P energy: -65.336 bonds (distance) P-C4' energy: -79.476 flat angles C4'-P-C4' energy: -48.244 flat angles P-C4'-P energy: -21.374 tors. eta vs tors. theta energy: 6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1317.852509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.852509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.852509 (E_RNA) where: Base-Base interactions energy: -902.423 where: short stacking energy: -394.854 Base-Backbone interact. energy: -3.140 local terms energy: -412.289602 where: bonds (distance) C4'-P energy: -76.158 bonds (distance) P-C4' energy: -75.137 flat angles C4'-P-C4' energy: -99.153 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -112.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1256.345299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.345299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.345299 (E_RNA) where: Base-Base interactions energy: -846.898 where: short stacking energy: -377.807 Base-Backbone interact. energy: -0.621 local terms energy: -408.826190 where: bonds (distance) C4'-P energy: -78.803 bonds (distance) P-C4' energy: -69.834 flat angles C4'-P-C4' energy: -84.906 flat angles P-C4'-P energy: -54.516 tors. eta vs tors. theta energy: -120.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1190.936856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.936856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.936856 (E_RNA) where: Base-Base interactions energy: -801.147 where: short stacking energy: -342.163 Base-Backbone interact. energy: -0.681 local terms energy: -389.108872 where: bonds (distance) C4'-P energy: -83.664 bonds (distance) P-C4' energy: -62.989 flat angles C4'-P-C4' energy: -88.168 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -99.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1060.662448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.662448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.662448 (E_RNA) where: Base-Base interactions energy: -711.721 where: short stacking energy: -266.594 Base-Backbone interact. energy: -0.971 local terms energy: -347.970842 where: bonds (distance) C4'-P energy: -67.717 bonds (distance) P-C4' energy: -71.492 flat angles C4'-P-C4' energy: -82.604 flat angles P-C4'-P energy: -51.552 tors. eta vs tors. theta energy: -74.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1062.038906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.038906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.038906 (E_RNA) where: Base-Base interactions energy: -705.210 where: short stacking energy: -292.398 Base-Backbone interact. energy: -0.760 local terms energy: -356.068479 where: bonds (distance) C4'-P energy: -58.884 bonds (distance) P-C4' energy: -70.341 flat angles C4'-P-C4' energy: -82.639 flat angles P-C4'-P energy: -55.552 tors. eta vs tors. theta energy: -88.653 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: 2 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -922.512642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.512642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.512642 (E_RNA) where: Base-Base interactions energy: -569.950 where: short stacking energy: -262.340 Base-Backbone interact. energy: -1.224 local terms energy: -351.338672 where: bonds (distance) C4'-P energy: -71.406 bonds (distance) P-C4' energy: -77.297 flat angles C4'-P-C4' energy: -83.092 flat angles P-C4'-P energy: -55.642 tors. eta vs tors. theta energy: -63.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -785.664345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.664345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.664345 (E_RNA) where: Base-Base interactions energy: -475.075 where: short stacking energy: -213.663 Base-Backbone interact. energy: 1.063 local terms energy: -311.652125 where: bonds (distance) C4'-P energy: -72.683 bonds (distance) P-C4' energy: -76.196 flat angles C4'-P-C4' energy: -71.471 flat angles P-C4'-P energy: -46.370 tors. eta vs tors. theta energy: -44.932 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: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -637.801731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.801731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.801731 (E_RNA) where: Base-Base interactions energy: -371.864 where: short stacking energy: -159.164 Base-Backbone interact. energy: 0.703 local terms energy: -266.640603 where: bonds (distance) C4'-P energy: -65.015 bonds (distance) P-C4' energy: -70.109 flat angles C4'-P-C4' energy: -73.877 flat angles P-C4'-P energy: -28.487 tors. eta vs tors. theta energy: -29.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -357.094297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.094297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.094297 (E_RNA) where: Base-Base interactions energy: -115.754 where: short stacking energy: -81.438 Base-Backbone interact. energy: -0.251 local terms energy: -241.089353 where: bonds (distance) C4'-P energy: -83.751 bonds (distance) P-C4' energy: -76.649 flat angles C4'-P-C4' energy: -57.095 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: 18.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -311.972857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.972857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.972857 (E_RNA) where: Base-Base interactions energy: -92.833 where: short stacking energy: -78.047 Base-Backbone interact. energy: 0.455 local terms energy: -219.594831 where: bonds (distance) C4'-P energy: -73.931 bonds (distance) P-C4' energy: -67.425 flat angles C4'-P-C4' energy: -44.125 flat angles P-C4'-P energy: -34.192 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1305.922523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.922523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.922523 (E_RNA) where: Base-Base interactions energy: -895.199 where: short stacking energy: -389.252 Base-Backbone interact. energy: 0.975 local terms energy: -411.698282 where: bonds (distance) C4'-P energy: -75.478 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -77.982 flat angles P-C4'-P energy: -62.869 tors. eta vs tors. theta energy: -117.203 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: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1224.001817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.001817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.001817 (E_RNA) where: Base-Base interactions energy: -811.349 where: short stacking energy: -359.649 Base-Backbone interact. energy: -1.581 local terms energy: -411.071812 where: bonds (distance) C4'-P energy: -74.792 bonds (distance) P-C4' energy: -69.854 flat angles C4'-P-C4' energy: -93.017 flat angles P-C4'-P energy: -59.467 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: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1202.511804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.511804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.511804 (E_RNA) where: Base-Base interactions energy: -828.394 where: short stacking energy: -345.768 Base-Backbone interact. energy: 4.598 local terms energy: -378.715400 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -84.709 flat angles C4'-P-C4' energy: -84.509 flat angles P-C4'-P energy: -39.637 tors. eta vs tors. theta energy: -100.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1115.803336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.803336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.803336 (E_RNA) where: Base-Base interactions energy: -727.081 where: short stacking energy: -325.152 Base-Backbone interact. energy: -1.858 local terms energy: -386.864525 where: bonds (distance) C4'-P energy: -68.410 bonds (distance) P-C4' energy: -82.724 flat angles C4'-P-C4' energy: -84.931 flat angles P-C4'-P energy: -57.102 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: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1022.161992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.161992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.161992 (E_RNA) where: Base-Base interactions energy: -694.153 where: short stacking energy: -283.967 Base-Backbone interact. energy: -1.909 local terms energy: -326.100412 where: bonds (distance) C4'-P energy: -65.262 bonds (distance) P-C4' energy: -68.245 flat angles C4'-P-C4' energy: -69.722 flat angles P-C4'-P energy: -49.591 tors. eta vs tors. theta energy: -73.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -863.480441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.480441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.480441 (E_RNA) where: Base-Base interactions energy: -542.960 where: short stacking energy: -253.362 Base-Backbone interact. energy: -1.038 local terms energy: -319.482640 where: bonds (distance) C4'-P energy: -70.379 bonds (distance) P-C4' energy: -68.350 flat angles C4'-P-C4' energy: -69.196 flat angles P-C4'-P energy: -48.159 tors. eta vs tors. theta energy: -63.398 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: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -765.407609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.407609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.407609 (E_RNA) where: Base-Base interactions energy: -458.781 where: short stacking energy: -220.873 Base-Backbone interact. energy: 0.413 local terms energy: -307.039770 where: bonds (distance) C4'-P energy: -79.635 bonds (distance) P-C4' energy: -74.520 flat angles C4'-P-C4' energy: -63.162 flat angles P-C4'-P energy: -47.348 tors. eta vs tors. theta energy: -42.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -643.293975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.293975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.293975 (E_RNA) where: Base-Base interactions energy: -365.939 where: short stacking energy: -185.121 Base-Backbone interact. energy: -2.167 local terms energy: -275.187465 where: bonds (distance) C4'-P energy: -64.693 bonds (distance) P-C4' energy: -68.183 flat angles C4'-P-C4' energy: -70.200 flat angles P-C4'-P energy: -37.457 tors. eta vs tors. theta energy: -34.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -361.906624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.906624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.906624 (E_RNA) where: Base-Base interactions energy: -138.951 where: short stacking energy: -101.671 Base-Backbone interact. energy: -1.097 local terms energy: -221.859103 where: bonds (distance) C4'-P energy: -68.940 bonds (distance) P-C4' energy: -65.854 flat angles C4'-P-C4' energy: -61.805 flat angles P-C4'-P energy: -37.153 tors. eta vs tors. theta energy: 11.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -325.485963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.485963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.485963 (E_RNA) where: Base-Base interactions energy: -128.886 where: short stacking energy: -87.104 Base-Backbone interact. energy: -1.588 local terms energy: -195.012192 where: bonds (distance) C4'-P energy: -64.337 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -58.175 flat angles P-C4'-P energy: -22.879 tors. eta vs tors. theta energy: 14.312 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: 1, replica: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1296.911624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.911624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.911624 (E_RNA) where: Base-Base interactions energy: -871.138 where: short stacking energy: -375.594 Base-Backbone interact. energy: -0.576 local terms energy: -425.198407 where: bonds (distance) C4'-P energy: -67.155 bonds (distance) P-C4' energy: -89.039 flat angles C4'-P-C4' energy: -85.112 flat angles P-C4'-P energy: -66.775 tors. eta vs tors. theta energy: -117.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1221.460952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.460952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.460952 (E_RNA) where: Base-Base interactions energy: -811.315 where: short stacking energy: -344.814 Base-Backbone interact. energy: -3.140 local terms energy: -407.005375 where: bonds (distance) C4'-P energy: -77.532 bonds (distance) P-C4' energy: -74.768 flat angles C4'-P-C4' energy: -81.629 flat angles P-C4'-P energy: -58.509 tors. eta vs tors. theta energy: -114.567 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: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1190.549469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.549469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.549469 (E_RNA) where: Base-Base interactions energy: -786.040 where: short stacking energy: -332.821 Base-Backbone interact. energy: -1.860 local terms energy: -402.648953 where: bonds (distance) C4'-P energy: -76.502 bonds (distance) P-C4' energy: -78.642 flat angles C4'-P-C4' energy: -87.936 flat angles P-C4'-P energy: -65.229 tors. eta vs tors. theta energy: -94.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1080.797420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.797420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.797420 (E_RNA) where: Base-Base interactions energy: -713.320 where: short stacking energy: -315.844 Base-Backbone interact. energy: -1.093 local terms energy: -366.383798 where: bonds (distance) C4'-P energy: -74.244 bonds (distance) P-C4' energy: -76.109 flat angles C4'-P-C4' energy: -86.791 flat angles P-C4'-P energy: -46.416 tors. eta vs tors. theta energy: -82.823 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: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -968.390783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.390783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.390783 (E_RNA) where: Base-Base interactions energy: -627.229 where: short stacking energy: -261.573 Base-Backbone interact. energy: 1.127 local terms energy: -342.289600 where: bonds (distance) C4'-P energy: -70.621 bonds (distance) P-C4' energy: -76.208 flat angles C4'-P-C4' energy: -78.380 flat angles P-C4'-P energy: -54.488 tors. eta vs tors. theta energy: -62.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -825.792163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.792163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.792163 (E_RNA) where: Base-Base interactions energy: -518.114 where: short stacking energy: -236.908 Base-Backbone interact. energy: -1.880 local terms energy: -305.797676 where: bonds (distance) C4'-P energy: -64.478 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -80.850 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: -56.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -793.462502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.462502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.462502 (E_RNA) where: Base-Base interactions energy: -474.810 where: short stacking energy: -235.343 Base-Backbone interact. energy: -0.892 local terms energy: -317.760544 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -75.372 flat angles C4'-P-C4' energy: -74.859 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -50.809 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: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -590.927069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.927069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.927069 (E_RNA) where: Base-Base interactions energy: -317.627 where: short stacking energy: -143.690 Base-Backbone interact. energy: -2.063 local terms energy: -271.237050 where: bonds (distance) C4'-P energy: -67.774 bonds (distance) P-C4' energy: -81.513 flat angles C4'-P-C4' energy: -69.149 flat angles P-C4'-P energy: -30.282 tors. eta vs tors. theta energy: -22.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -362.733518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.733518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.733518 (E_RNA) where: Base-Base interactions energy: -120.700 where: short stacking energy: -74.317 Base-Backbone interact. energy: -2.252 local terms energy: -239.781206 where: bonds (distance) C4'-P energy: -72.554 bonds (distance) P-C4' energy: -82.114 flat angles C4'-P-C4' energy: -59.135 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: 14.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -310.441859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.441859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.441859 (E_RNA) where: Base-Base interactions energy: -111.014 where: short stacking energy: -97.062 Base-Backbone interact. energy: -2.440 local terms energy: -196.988528 where: bonds (distance) C4'-P energy: -59.351 bonds (distance) P-C4' energy: -71.572 flat angles C4'-P-C4' energy: -47.852 flat angles P-C4'-P energy: -30.915 tors. eta vs tors. theta energy: 12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1311.415049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.415049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.415049 (E_RNA) where: Base-Base interactions energy: -885.818 where: short stacking energy: -375.645 Base-Backbone interact. energy: -0.862 local terms energy: -424.735303 where: bonds (distance) C4'-P energy: -77.069 bonds (distance) P-C4' energy: -75.362 flat angles C4'-P-C4' energy: -97.798 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -114.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1241.617877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.617877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.617877 (E_RNA) where: Base-Base interactions energy: -816.911 where: short stacking energy: -362.144 Base-Backbone interact. energy: -1.132 local terms energy: -423.574637 where: bonds (distance) C4'-P energy: -80.241 bonds (distance) P-C4' energy: -80.977 flat angles C4'-P-C4' energy: -89.789 flat angles P-C4'-P energy: -65.088 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: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1220.287743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.287743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.287743 (E_RNA) where: Base-Base interactions energy: -798.139 where: short stacking energy: -348.391 Base-Backbone interact. energy: -2.528 local terms energy: -419.621064 where: bonds (distance) C4'-P energy: -80.062 bonds (distance) P-C4' energy: -80.965 flat angles C4'-P-C4' energy: -92.073 flat angles P-C4'-P energy: -61.910 tors. eta vs tors. theta energy: -104.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1073.053817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.053817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.053817 (E_RNA) where: Base-Base interactions energy: -706.218 where: short stacking energy: -327.443 Base-Backbone interact. energy: 1.914 local terms energy: -368.749855 where: bonds (distance) C4'-P energy: -68.892 bonds (distance) P-C4' energy: -75.759 flat angles C4'-P-C4' energy: -83.121 flat angles P-C4'-P energy: -50.557 tors. eta vs tors. theta energy: -90.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1002.398859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.398859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.398859 (E_RNA) where: Base-Base interactions energy: -644.489 where: short stacking energy: -275.420 Base-Backbone interact. energy: -2.831 local terms energy: -355.078849 where: bonds (distance) C4'-P energy: -88.550 bonds (distance) P-C4' energy: -75.192 flat angles C4'-P-C4' energy: -84.052 flat angles P-C4'-P energy: -40.912 tors. eta vs tors. theta energy: -66.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -789.934773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.934773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.934773 (E_RNA) where: Base-Base interactions energy: -481.889 where: short stacking energy: -217.148 Base-Backbone interact. energy: -1.693 local terms energy: -306.353057 where: bonds (distance) C4'-P energy: -71.275 bonds (distance) P-C4' energy: -82.163 flat angles C4'-P-C4' energy: -70.168 flat angles P-C4'-P energy: -35.051 tors. eta vs tors. theta energy: -47.696 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: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -687.355713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.355713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.355713 (E_RNA) where: Base-Base interactions energy: -407.125 where: short stacking energy: -160.115 Base-Backbone interact. energy: -0.810 local terms energy: -279.420192 where: bonds (distance) C4'-P energy: -70.960 bonds (distance) P-C4' energy: -68.506 flat angles C4'-P-C4' energy: -74.339 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -23.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -605.687163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.687163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.687163 (E_RNA) where: Base-Base interactions energy: -329.911 where: short stacking energy: -168.288 Base-Backbone interact. energy: 1.214 local terms energy: -276.989961 where: bonds (distance) C4'-P energy: -60.895 bonds (distance) P-C4' energy: -77.623 flat angles C4'-P-C4' energy: -64.380 flat angles P-C4'-P energy: -48.364 tors. eta vs tors. theta energy: -25.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -350.236874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.236874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.236874 (E_RNA) where: Base-Base interactions energy: -148.006 where: short stacking energy: -105.122 Base-Backbone interact. energy: -0.611 local terms energy: -201.620286 where: bonds (distance) C4'-P energy: -62.878 bonds (distance) P-C4' energy: -68.571 flat angles C4'-P-C4' energy: -46.915 flat angles P-C4'-P energy: -29.319 tors. eta vs tors. theta energy: 6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -335.211003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.211003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.211003 (E_RNA) where: Base-Base interactions energy: -110.453 where: short stacking energy: -104.287 Base-Backbone interact. energy: -1.711 local terms energy: -223.047839 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -57.655 flat angles C4'-P-C4' energy: -62.515 flat angles P-C4'-P energy: -39.517 tors. eta vs tors. theta energy: -4.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1304.333192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.333192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.333192 (E_RNA) where: Base-Base interactions energy: -885.969 where: short stacking energy: -382.032 Base-Backbone interact. energy: -0.680 local terms energy: -417.683411 where: bonds (distance) C4'-P energy: -80.425 bonds (distance) P-C4' energy: -75.467 flat angles C4'-P-C4' energy: -101.709 flat angles P-C4'-P energy: -57.601 tors. eta vs tors. theta energy: -102.482 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: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1210.754508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.754508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.754508 (E_RNA) where: Base-Base interactions energy: -818.793 where: short stacking energy: -366.755 Base-Backbone interact. energy: 0.806 local terms energy: -392.766829 where: bonds (distance) C4'-P energy: -68.505 bonds (distance) P-C4' energy: -81.670 flat angles C4'-P-C4' energy: -72.818 flat angles P-C4'-P energy: -65.466 tors. eta vs tors. theta energy: -104.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1226.714697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.714697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.714697 (E_RNA) where: Base-Base interactions energy: -837.443 where: short stacking energy: -350.124 Base-Backbone interact. energy: -1.396 local terms energy: -387.875992 where: bonds (distance) C4'-P energy: -61.679 bonds (distance) P-C4' energy: -79.738 flat angles C4'-P-C4' energy: -87.143 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -106.054 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: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1079.431370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.431370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.431370 (E_RNA) where: Base-Base interactions energy: -693.102 where: short stacking energy: -319.300 Base-Backbone interact. energy: -2.093 local terms energy: -384.236030 where: bonds (distance) C4'-P energy: -79.237 bonds (distance) P-C4' energy: -82.117 flat angles C4'-P-C4' energy: -79.850 flat angles P-C4'-P energy: -47.899 tors. eta vs tors. theta energy: -95.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -977.352222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.352222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.352222 (E_RNA) where: Base-Base interactions energy: -643.637 where: short stacking energy: -285.517 Base-Backbone interact. energy: -1.401 local terms energy: -332.313611 where: bonds (distance) C4'-P energy: -69.107 bonds (distance) P-C4' energy: -71.318 flat angles C4'-P-C4' energy: -73.377 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: -74.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -849.871086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.871086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.871086 (E_RNA) where: Base-Base interactions energy: -527.998 where: short stacking energy: -243.915 Base-Backbone interact. energy: -0.783 local terms energy: -321.090023 where: bonds (distance) C4'-P energy: -71.847 bonds (distance) P-C4' energy: -79.243 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -50.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -708.476731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.476731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.476731 (E_RNA) where: Base-Base interactions energy: -400.373 where: short stacking energy: -181.198 Base-Backbone interact. energy: -1.401 local terms energy: -306.702721 where: bonds (distance) C4'-P energy: -69.704 bonds (distance) P-C4' energy: -83.482 flat angles C4'-P-C4' energy: -69.721 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -39.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -527.086859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.086859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.086859 (E_RNA) where: Base-Base interactions energy: -292.980 where: short stacking energy: -138.216 Base-Backbone interact. energy: -1.123 local terms energy: -232.983260 where: bonds (distance) C4'-P energy: -81.504 bonds (distance) P-C4' energy: -52.947 flat angles C4'-P-C4' energy: -61.844 flat angles P-C4'-P energy: -33.308 tors. eta vs tors. theta energy: -3.380 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: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -360.194969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.194969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.194969 (E_RNA) where: Base-Base interactions energy: -158.463 where: short stacking energy: -80.971 Base-Backbone interact. energy: -0.263 local terms energy: -201.468765 where: bonds (distance) C4'-P energy: -68.434 bonds (distance) P-C4' energy: -61.720 flat angles C4'-P-C4' energy: -52.364 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: 13.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -322.208113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.208113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.208113 (E_RNA) where: Base-Base interactions energy: -117.077 where: short stacking energy: -85.383 Base-Backbone interact. energy: -1.228 local terms energy: -203.903036 where: bonds (distance) C4'-P energy: -70.111 bonds (distance) P-C4' energy: -66.649 flat angles C4'-P-C4' energy: -50.105 flat angles P-C4'-P energy: -26.662 tors. eta vs tors. theta energy: 9.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1334.285495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.285495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.285495 (E_RNA) where: Base-Base interactions energy: -903.052 where: short stacking energy: -369.898 Base-Backbone interact. energy: 2.416 local terms energy: -433.649693 where: bonds (distance) C4'-P energy: -83.774 bonds (distance) P-C4' energy: -89.381 flat angles C4'-P-C4' energy: -89.896 flat angles P-C4'-P energy: -58.309 tors. eta vs tors. theta energy: -112.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1211.654639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.654639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.654639 (E_RNA) where: Base-Base interactions energy: -793.568 where: short stacking energy: -361.097 Base-Backbone interact. energy: -0.206 local terms energy: -417.880792 where: bonds (distance) C4'-P energy: -76.778 bonds (distance) P-C4' energy: -78.838 flat angles C4'-P-C4' energy: -89.110 flat angles P-C4'-P energy: -63.252 tors. eta vs tors. theta energy: -109.903 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: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1218.870211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.870211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.870211 (E_RNA) where: Base-Base interactions energy: -823.843 where: short stacking energy: -342.364 Base-Backbone interact. energy: 0.079 local terms energy: -395.106812 where: bonds (distance) C4'-P energy: -75.297 bonds (distance) P-C4' energy: -73.740 flat angles C4'-P-C4' energy: -88.377 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -102.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1123.504658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.504658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.504658 (E_RNA) where: Base-Base interactions energy: -743.053 where: short stacking energy: -319.234 Base-Backbone interact. energy: -1.466 local terms energy: -378.985401 where: bonds (distance) C4'-P energy: -66.386 bonds (distance) P-C4' energy: -80.517 flat angles C4'-P-C4' energy: -82.301 flat angles P-C4'-P energy: -55.059 tors. eta vs tors. theta energy: -94.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -977.039510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.039510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.039510 (E_RNA) where: Base-Base interactions energy: -634.166 where: short stacking energy: -263.306 Base-Backbone interact. energy: -2.373 local terms energy: -340.500513 where: bonds (distance) C4'-P energy: -81.082 bonds (distance) P-C4' energy: -80.696 flat angles C4'-P-C4' energy: -75.032 flat angles P-C4'-P energy: -42.983 tors. eta vs tors. theta energy: -60.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -779.563125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.563125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.563125 (E_RNA) where: Base-Base interactions energy: -497.091 where: short stacking energy: -214.641 Base-Backbone interact. energy: 0.420 local terms energy: -282.892049 where: bonds (distance) C4'-P energy: -64.041 bonds (distance) P-C4' energy: -72.981 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -37.936 tors. eta vs tors. theta energy: -42.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -705.701454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.701454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.701454 (E_RNA) where: Base-Base interactions energy: -438.077 where: short stacking energy: -200.162 Base-Backbone interact. energy: -3.448 local terms energy: -264.176269 where: bonds (distance) C4'-P energy: -63.408 bonds (distance) P-C4' energy: -65.627 flat angles C4'-P-C4' energy: -67.493 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -22.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -556.158513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.158513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.158513 (E_RNA) where: Base-Base interactions energy: -331.759 where: short stacking energy: -135.491 Base-Backbone interact. energy: -2.631 local terms energy: -221.769046 where: bonds (distance) C4'-P energy: -59.843 bonds (distance) P-C4' energy: -66.756 flat angles C4'-P-C4' energy: -55.466 flat angles P-C4'-P energy: -39.574 tors. eta vs tors. theta energy: -0.130 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: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -341.940633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.940633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.940633 (E_RNA) where: Base-Base interactions energy: -109.427 where: short stacking energy: -79.866 Base-Backbone interact. energy: -2.768 local terms energy: -229.744926 where: bonds (distance) C4'-P energy: -74.383 bonds (distance) P-C4' energy: -73.726 flat angles C4'-P-C4' energy: -54.702 flat angles P-C4'-P energy: -38.718 tors. eta vs tors. theta energy: 11.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -302.514190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.514190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.514190 (E_RNA) where: Base-Base interactions energy: -81.444 where: short stacking energy: -66.874 Base-Backbone interact. energy: 0.303 local terms energy: -221.372325 where: bonds (distance) C4'-P energy: -69.521 bonds (distance) P-C4' energy: -71.178 flat angles C4'-P-C4' energy: -49.352 flat angles P-C4'-P energy: -38.425 tors. eta vs tors. theta energy: 7.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1306.532179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.532179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.532179 (E_RNA) where: Base-Base interactions energy: -897.000 where: short stacking energy: -382.612 Base-Backbone interact. energy: 0.337 local terms energy: -409.869419 where: bonds (distance) C4'-P energy: -78.701 bonds (distance) P-C4' energy: -81.774 flat angles C4'-P-C4' energy: -85.444 flat angles P-C4'-P energy: -54.093 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: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1218.878899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.878899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.878899 (E_RNA) where: Base-Base interactions energy: -813.724 where: short stacking energy: -378.114 Base-Backbone interact. energy: -1.486 local terms energy: -403.669585 where: bonds (distance) C4'-P energy: -75.463 bonds (distance) P-C4' energy: -76.980 flat angles C4'-P-C4' energy: -84.792 flat angles P-C4'-P energy: -59.412 tors. eta vs tors. theta energy: -107.023 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: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1218.953246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.953246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.953246 (E_RNA) where: Base-Base interactions energy: -834.938 where: short stacking energy: -328.365 Base-Backbone interact. energy: -1.075 local terms energy: -382.940833 where: bonds (distance) C4'-P energy: -71.223 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -89.578 flat angles P-C4'-P energy: -54.346 tors. eta vs tors. theta energy: -99.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1110.415416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.415416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.415416 (E_RNA) where: Base-Base interactions energy: -731.028 where: short stacking energy: -319.148 Base-Backbone interact. energy: 0.471 local terms energy: -379.858934 where: bonds (distance) C4'-P energy: -74.365 bonds (distance) P-C4' energy: -65.945 flat angles C4'-P-C4' energy: -79.331 flat angles P-C4'-P energy: -56.123 tors. eta vs tors. theta energy: -104.096 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: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1002.522775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.522775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.522775 (E_RNA) where: Base-Base interactions energy: -666.329 where: short stacking energy: -289.050 Base-Backbone interact. energy: -2.985 local terms energy: -333.209377 where: bonds (distance) C4'-P energy: -77.349 bonds (distance) P-C4' energy: -76.030 flat angles C4'-P-C4' energy: -65.334 flat angles P-C4'-P energy: -43.842 tors. eta vs tors. theta energy: -70.654 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: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -791.389164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.389164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.389164 (E_RNA) where: Base-Base interactions energy: -502.023 where: short stacking energy: -222.327 Base-Backbone interact. energy: 2.213 local terms energy: -291.579878 where: bonds (distance) C4'-P energy: -57.989 bonds (distance) P-C4' energy: -76.292 flat angles C4'-P-C4' energy: -73.054 flat angles P-C4'-P energy: -36.357 tors. eta vs tors. theta energy: -47.888 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: 7, replica: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -697.273468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.273468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.273468 (E_RNA) where: Base-Base interactions energy: -423.745 where: short stacking energy: -212.706 Base-Backbone interact. energy: -0.728 local terms energy: -272.800083 where: bonds (distance) C4'-P energy: -53.443 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -57.664 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -45.928 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: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -589.455328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.455328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.455328 (E_RNA) where: Base-Base interactions energy: -336.223 where: short stacking energy: -171.866 Base-Backbone interact. energy: -2.010 local terms energy: -251.222374 where: bonds (distance) C4'-P energy: -64.641 bonds (distance) P-C4' energy: -64.643 flat angles C4'-P-C4' energy: -71.787 flat angles P-C4'-P energy: -39.975 tors. eta vs tors. theta energy: -10.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -319.468385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.468385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.468385 (E_RNA) where: Base-Base interactions energy: -109.123 where: short stacking energy: -98.276 Base-Backbone interact. energy: -1.364 local terms energy: -208.981340 where: bonds (distance) C4'-P energy: -70.365 bonds (distance) P-C4' energy: -58.555 flat angles C4'-P-C4' energy: -50.999 flat angles P-C4'-P energy: -32.960 tors. eta vs tors. theta energy: 3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -317.254412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.254412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.254412 (E_RNA) where: Base-Base interactions energy: -124.245 where: short stacking energy: -100.763 Base-Backbone interact. energy: 1.242 local terms energy: -194.251197 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -69.805 flat angles C4'-P-C4' energy: -51.582 flat angles P-C4'-P energy: -26.151 tors. eta vs tors. theta energy: 16.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1308.146487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.146487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.146487 (E_RNA) where: Base-Base interactions energy: -884.206 where: short stacking energy: -367.567 Base-Backbone interact. energy: -0.587 local terms energy: -423.353048 where: bonds (distance) C4'-P energy: -76.467 bonds (distance) P-C4' energy: -81.040 flat angles C4'-P-C4' energy: -91.924 flat angles P-C4'-P energy: -60.700 tors. eta vs tors. theta energy: -113.222 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: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1278.310647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.310647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.310647 (E_RNA) where: Base-Base interactions energy: -892.577 where: short stacking energy: -350.701 Base-Backbone interact. energy: -2.947 local terms energy: -382.787109 where: bonds (distance) C4'-P energy: -82.895 bonds (distance) P-C4' energy: -67.878 flat angles C4'-P-C4' energy: -77.150 flat angles P-C4'-P energy: -61.504 tors. eta vs tors. theta energy: -93.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1190.741328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.741328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.741328 (E_RNA) where: Base-Base interactions energy: -802.687 where: short stacking energy: -364.743 Base-Backbone interact. energy: -1.441 local terms energy: -386.613464 where: bonds (distance) C4'-P energy: -72.811 bonds (distance) P-C4' energy: -71.809 flat angles C4'-P-C4' energy: -86.838 flat angles P-C4'-P energy: -47.129 tors. eta vs tors. theta energy: -108.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1119.757174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.757174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.757174 (E_RNA) where: Base-Base interactions energy: -743.845 where: short stacking energy: -325.934 Base-Backbone interact. energy: -3.211 local terms energy: -372.701142 where: bonds (distance) C4'-P energy: -74.514 bonds (distance) P-C4' energy: -73.652 flat angles C4'-P-C4' energy: -74.024 flat angles P-C4'-P energy: -50.382 tors. eta vs tors. theta energy: -100.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -991.790647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.790647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.790647 (E_RNA) where: Base-Base interactions energy: -638.748 where: short stacking energy: -264.402 Base-Backbone interact. energy: 2.435 local terms energy: -355.477810 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -86.822 flat angles C4'-P-C4' energy: -82.236 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: -70.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -813.156446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.156446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.156446 (E_RNA) where: Base-Base interactions energy: -497.881 where: short stacking energy: -238.758 Base-Backbone interact. energy: -1.157 local terms energy: -314.117664 where: bonds (distance) C4'-P energy: -69.594 bonds (distance) P-C4' energy: -68.175 flat angles C4'-P-C4' energy: -75.463 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -55.957 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: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -723.549660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.549660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.549660 (E_RNA) where: Base-Base interactions energy: -430.222 where: short stacking energy: -211.711 Base-Backbone interact. energy: -1.656 local terms energy: -291.671577 where: bonds (distance) C4'-P energy: -73.016 bonds (distance) P-C4' energy: -67.869 flat angles C4'-P-C4' energy: -60.940 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -35.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -613.262069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.262069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.262069 (E_RNA) where: Base-Base interactions energy: -361.148 where: short stacking energy: -171.087 Base-Backbone interact. energy: -1.234 local terms energy: -250.879409 where: bonds (distance) C4'-P energy: -58.398 bonds (distance) P-C4' energy: -79.227 flat angles C4'-P-C4' energy: -65.802 flat angles P-C4'-P energy: -34.792 tors. eta vs tors. theta energy: -12.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -341.629567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.629567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.629567 (E_RNA) where: Base-Base interactions energy: -113.444 where: short stacking energy: -99.434 Base-Backbone interact. energy: 0.565 local terms energy: -228.750764 where: bonds (distance) C4'-P energy: -70.616 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -64.886 flat angles P-C4'-P energy: -27.551 tors. eta vs tors. theta energy: -2.730 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: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -310.423718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.423718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.423718 (E_RNA) where: Base-Base interactions energy: -110.449 where: short stacking energy: -82.497 Base-Backbone interact. energy: 3.772 local terms energy: -203.746550 where: bonds (distance) C4'-P energy: -55.350 bonds (distance) P-C4' energy: -68.449 flat angles C4'-P-C4' energy: -61.322 flat angles P-C4'-P energy: -37.469 tors. eta vs tors. theta energy: 18.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1310.044792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.044792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.044792 (E_RNA) where: Base-Base interactions energy: -894.099 where: short stacking energy: -381.529 Base-Backbone interact. energy: 0.767 local terms energy: -416.712718 where: bonds (distance) C4'-P energy: -79.216 bonds (distance) P-C4' energy: -75.696 flat angles C4'-P-C4' energy: -87.871 flat angles P-C4'-P energy: -59.590 tors. eta vs tors. theta energy: -114.339 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: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1284.272680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.272680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.272680 (E_RNA) where: Base-Base interactions energy: -888.604 where: short stacking energy: -361.348 Base-Backbone interact. energy: -1.536 local terms energy: -394.133489 where: bonds (distance) C4'-P energy: -71.571 bonds (distance) P-C4' energy: -74.285 flat angles C4'-P-C4' energy: -87.474 flat angles P-C4'-P energy: -56.844 tors. eta vs tors. theta energy: -103.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1210.336907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.336907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.336907 (E_RNA) where: Base-Base interactions energy: -819.626 where: short stacking energy: -385.826 Base-Backbone interact. energy: 3.137 local terms energy: -393.848375 where: bonds (distance) C4'-P energy: -64.669 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -85.377 flat angles P-C4'-P energy: -58.955 tors. eta vs tors. theta energy: -113.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1048.997477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.997477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.997477 (E_RNA) where: Base-Base interactions energy: -676.995 where: short stacking energy: -302.050 Base-Backbone interact. energy: -0.356 local terms energy: -371.646407 where: bonds (distance) C4'-P energy: -82.582 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -67.863 flat angles P-C4'-P energy: -58.393 tors. eta vs tors. theta energy: -83.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -987.130608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.130608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.130608 (E_RNA) where: Base-Base interactions energy: -647.370 where: short stacking energy: -265.654 Base-Backbone interact. energy: -3.286 local terms energy: -336.474036 where: bonds (distance) C4'-P energy: -72.053 bonds (distance) P-C4' energy: -69.613 flat angles C4'-P-C4' energy: -82.435 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -65.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -775.494507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.494507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.494507 (E_RNA) where: Base-Base interactions energy: -484.894 where: short stacking energy: -221.861 Base-Backbone interact. energy: -1.059 local terms energy: -289.541441 where: bonds (distance) C4'-P energy: -72.998 bonds (distance) P-C4' energy: -69.769 flat angles C4'-P-C4' energy: -66.041 flat angles P-C4'-P energy: -40.368 tors. eta vs tors. theta energy: -40.365 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: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -730.240834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.240834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.240834 (E_RNA) where: Base-Base interactions energy: -426.130 where: short stacking energy: -195.053 Base-Backbone interact. energy: -1.406 local terms energy: -302.703997 where: bonds (distance) C4'-P energy: -72.938 bonds (distance) P-C4' energy: -68.649 flat angles C4'-P-C4' energy: -65.293 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -44.551 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: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -549.229097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.229097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.229097 (E_RNA) where: Base-Base interactions energy: -274.595 where: short stacking energy: -129.262 Base-Backbone interact. energy: 0.783 local terms energy: -275.417305 where: bonds (distance) C4'-P energy: -61.436 bonds (distance) P-C4' energy: -88.358 flat angles C4'-P-C4' energy: -62.955 flat angles P-C4'-P energy: -45.437 tors. eta vs tors. theta energy: -17.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -352.131930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.131930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.131930 (E_RNA) where: Base-Base interactions energy: -144.123 where: short stacking energy: -111.283 Base-Backbone interact. energy: 0.050 local terms energy: -208.058760 where: bonds (distance) C4'-P energy: -73.723 bonds (distance) P-C4' energy: -54.668 flat angles C4'-P-C4' energy: -51.482 flat angles P-C4'-P energy: -39.876 tors. eta vs tors. theta energy: 11.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -302.556370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.556370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.556370 (E_RNA) where: Base-Base interactions energy: -108.738 where: short stacking energy: -85.194 Base-Backbone interact. energy: 3.715 local terms energy: -197.533186 where: bonds (distance) C4'-P energy: -71.288 bonds (distance) P-C4' energy: -66.226 flat angles C4'-P-C4' energy: -31.253 flat angles P-C4'-P energy: -38.824 tors. eta vs tors. theta energy: 10.058 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: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1313.183502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.183502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.183502 (E_RNA) where: Base-Base interactions energy: -890.768 where: short stacking energy: -376.581 Base-Backbone interact. energy: -3.386 local terms energy: -419.029208 where: bonds (distance) C4'-P energy: -71.352 bonds (distance) P-C4' energy: -84.266 flat angles C4'-P-C4' energy: -89.263 flat angles P-C4'-P energy: -61.652 tors. eta vs tors. theta energy: -112.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1275.273562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.273562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.273562 (E_RNA) where: Base-Base interactions energy: -873.229 where: short stacking energy: -368.582 Base-Backbone interact. energy: -3.154 local terms energy: -398.890206 where: bonds (distance) C4'-P energy: -77.758 bonds (distance) P-C4' energy: -75.851 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -60.408 tors. eta vs tors. theta energy: -106.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1231.359825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.359825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.359825 (E_RNA) where: Base-Base interactions energy: -793.869 where: short stacking energy: -370.931 Base-Backbone interact. energy: -0.628 local terms energy: -436.862790 where: bonds (distance) C4'-P energy: -78.787 bonds (distance) P-C4' energy: -86.124 flat angles C4'-P-C4' energy: -93.737 flat angles P-C4'-P energy: -57.518 tors. eta vs tors. theta energy: -120.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1083.584503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.584503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.584503 (E_RNA) where: Base-Base interactions energy: -707.086 where: short stacking energy: -314.227 Base-Backbone interact. energy: -2.067 local terms energy: -374.431547 where: bonds (distance) C4'-P energy: -76.685 bonds (distance) P-C4' energy: -65.868 flat angles C4'-P-C4' energy: -81.277 flat angles P-C4'-P energy: -59.897 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: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -995.129681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.129681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.129681 (E_RNA) where: Base-Base interactions energy: -651.490 where: short stacking energy: -272.305 Base-Backbone interact. energy: 4.712 local terms energy: -348.352009 where: bonds (distance) C4'-P energy: -71.148 bonds (distance) P-C4' energy: -72.622 flat angles C4'-P-C4' energy: -83.899 flat angles P-C4'-P energy: -42.066 tors. eta vs tors. theta energy: -78.617 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: 249 Temperature: 1.150000 Total energy: -825.405728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.405728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.405728 (E_RNA) where: Base-Base interactions energy: -511.730 where: short stacking energy: -241.899 Base-Backbone interact. energy: -2.502 local terms energy: -311.173657 where: bonds (distance) C4'-P energy: -63.669 bonds (distance) P-C4' energy: -76.478 flat angles C4'-P-C4' energy: -77.227 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -56.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -756.891059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.891059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.891059 (E_RNA) where: Base-Base interactions energy: -464.909 where: short stacking energy: -212.851 Base-Backbone interact. energy: 0.017 local terms energy: -291.999733 where: bonds (distance) C4'-P energy: -74.030 bonds (distance) P-C4' energy: -67.208 flat angles C4'-P-C4' energy: -60.630 flat angles P-C4'-P energy: -46.894 tors. eta vs tors. theta energy: -43.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -595.213064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.213064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.213064 (E_RNA) where: Base-Base interactions energy: -353.819 where: short stacking energy: -145.408 Base-Backbone interact. energy: -0.278 local terms energy: -241.115829 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -69.349 flat angles C4'-P-C4' energy: -48.323 flat angles P-C4'-P energy: -53.154 tors. eta vs tors. theta energy: -13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -356.201981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.201981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.201981 (E_RNA) where: Base-Base interactions energy: -155.754 where: short stacking energy: -90.506 Base-Backbone interact. energy: 3.254 local terms energy: -203.702013 where: bonds (distance) C4'-P energy: -58.540 bonds (distance) P-C4' energy: -68.489 flat angles C4'-P-C4' energy: -54.569 flat angles P-C4'-P energy: -22.938 tors. eta vs tors. theta energy: 0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -333.505366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.505366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.505366 (E_RNA) where: Base-Base interactions energy: -96.415 where: short stacking energy: -90.369 Base-Backbone interact. energy: -1.751 local terms energy: -235.338795 where: bonds (distance) C4'-P energy: -67.472 bonds (distance) P-C4' energy: -68.167 flat angles C4'-P-C4' energy: -61.814 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: 8.748 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: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1326.997501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.997501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.997501 (E_RNA) where: Base-Base interactions energy: -896.505 where: short stacking energy: -378.994 Base-Backbone interact. energy: 0.156 local terms energy: -430.648312 where: bonds (distance) C4'-P energy: -81.090 bonds (distance) P-C4' energy: -80.347 flat angles C4'-P-C4' energy: -96.979 flat angles P-C4'-P energy: -62.733 tors. eta vs tors. theta energy: -109.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1290.311495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.311495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.311495 (E_RNA) where: Base-Base interactions energy: -874.642 where: short stacking energy: -380.440 Base-Backbone interact. energy: -2.746 local terms energy: -412.923630 where: bonds (distance) C4'-P energy: -82.737 bonds (distance) P-C4' energy: -79.531 flat angles C4'-P-C4' energy: -89.466 flat angles P-C4'-P energy: -55.889 tors. eta vs tors. theta energy: -105.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1200.374195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.374195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.374195 (E_RNA) where: Base-Base interactions energy: -800.714 where: short stacking energy: -385.764 Base-Backbone interact. energy: -1.630 local terms energy: -398.030135 where: bonds (distance) C4'-P energy: -61.376 bonds (distance) P-C4' energy: -79.973 flat angles C4'-P-C4' energy: -76.159 flat angles P-C4'-P energy: -55.509 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: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1040.273805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.273805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.273805 (E_RNA) where: Base-Base interactions energy: -674.785 where: short stacking energy: -296.008 Base-Backbone interact. energy: -0.508 local terms energy: -364.980879 where: bonds (distance) C4'-P energy: -63.549 bonds (distance) P-C4' energy: -79.702 flat angles C4'-P-C4' energy: -84.555 flat angles P-C4'-P energy: -59.207 tors. eta vs tors. theta energy: -77.968 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: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -975.198359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.198359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.198359 (E_RNA) where: Base-Base interactions energy: -643.160 where: short stacking energy: -266.699 Base-Backbone interact. energy: -2.085 local terms energy: -329.953720 where: bonds (distance) C4'-P energy: -77.549 bonds (distance) P-C4' energy: -68.831 flat angles C4'-P-C4' energy: -73.607 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -64.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -799.328118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.328118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.328118 (E_RNA) where: Base-Base interactions energy: -474.881 where: short stacking energy: -202.985 Base-Backbone interact. energy: -1.440 local terms energy: -323.007169 where: bonds (distance) C4'-P energy: -76.894 bonds (distance) P-C4' energy: -84.478 flat angles C4'-P-C4' energy: -72.540 flat angles P-C4'-P energy: -46.308 tors. eta vs tors. theta energy: -42.788 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: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -705.381858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.381858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.381858 (E_RNA) where: Base-Base interactions energy: -426.184 where: short stacking energy: -210.240 Base-Backbone interact. energy: 0.464 local terms energy: -279.662297 where: bonds (distance) C4'-P energy: -75.511 bonds (distance) P-C4' energy: -69.494 flat angles C4'-P-C4' energy: -61.586 flat angles P-C4'-P energy: -38.329 tors. eta vs tors. theta energy: -34.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -602.490984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.490984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.490984 (E_RNA) where: Base-Base interactions energy: -347.596 where: short stacking energy: -169.175 Base-Backbone interact. energy: 0.495 local terms energy: -255.390508 where: bonds (distance) C4'-P energy: -48.258 bonds (distance) P-C4' energy: -65.945 flat angles C4'-P-C4' energy: -75.047 flat angles P-C4'-P energy: -42.981 tors. eta vs tors. theta energy: -23.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -361.103736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.103736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.103736 (E_RNA) where: Base-Base interactions energy: -143.218 where: short stacking energy: -113.013 Base-Backbone interact. energy: -0.733 local terms energy: -217.153064 where: bonds (distance) C4'-P energy: -58.958 bonds (distance) P-C4' energy: -62.885 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: 11.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -325.671100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.671100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.671100 (E_RNA) where: Base-Base interactions energy: -109.811 where: short stacking energy: -73.888 Base-Backbone interact. energy: 4.747 local terms energy: -220.606799 where: bonds (distance) C4'-P energy: -68.790 bonds (distance) P-C4' energy: -71.727 flat angles C4'-P-C4' energy: -54.473 flat angles P-C4'-P energy: -38.346 tors. eta vs tors. theta energy: 12.728 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: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1312.598749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.598749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.598749 (E_RNA) where: Base-Base interactions energy: -889.320 where: short stacking energy: -372.736 Base-Backbone interact. energy: -0.817 local terms energy: -422.461529 where: bonds (distance) C4'-P energy: -78.331 bonds (distance) P-C4' energy: -75.586 flat angles C4'-P-C4' energy: -90.725 flat angles P-C4'-P energy: -66.175 tors. eta vs tors. theta energy: -111.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1284.477347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.477347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.477347 (E_RNA) where: Base-Base interactions energy: -878.667 where: short stacking energy: -368.930 Base-Backbone interact. energy: -0.853 local terms energy: -404.957305 where: bonds (distance) C4'-P energy: -74.912 bonds (distance) P-C4' energy: -71.329 flat angles C4'-P-C4' energy: -91.072 flat angles P-C4'-P energy: -63.086 tors. eta vs tors. theta energy: -104.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1209.099759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.099759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.099759 (E_RNA) where: Base-Base interactions energy: -815.317 where: short stacking energy: -359.069 Base-Backbone interact. energy: -0.181 local terms energy: -393.601432 where: bonds (distance) C4'-P energy: -78.937 bonds (distance) P-C4' energy: -60.420 flat angles C4'-P-C4' energy: -83.012 flat angles P-C4'-P energy: -56.436 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: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1071.657633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.657633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.657633 (E_RNA) where: Base-Base interactions energy: -687.390 where: short stacking energy: -316.092 Base-Backbone interact. energy: -1.816 local terms energy: -382.450889 where: bonds (distance) C4'-P energy: -72.977 bonds (distance) P-C4' energy: -71.934 flat angles C4'-P-C4' energy: -86.044 flat angles P-C4'-P energy: -61.037 tors. eta vs tors. theta energy: -90.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1007.312663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.312663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.312663 (E_RNA) where: Base-Base interactions energy: -655.936 where: short stacking energy: -285.345 Base-Backbone interact. energy: -2.514 local terms energy: -348.861919 where: bonds (distance) C4'-P energy: -55.981 bonds (distance) P-C4' energy: -69.366 flat angles C4'-P-C4' energy: -78.783 flat angles P-C4'-P energy: -52.580 tors. eta vs tors. theta energy: -92.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -818.822387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.822387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.822387 (E_RNA) where: Base-Base interactions energy: -505.922 where: short stacking energy: -213.053 Base-Backbone interact. energy: 2.097 local terms energy: -314.998258 where: bonds (distance) C4'-P energy: -83.517 bonds (distance) P-C4' energy: -77.410 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -45.968 tors. eta vs tors. theta energy: -35.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -691.586651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.586651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.586651 (E_RNA) where: Base-Base interactions energy: -404.189 where: short stacking energy: -214.625 Base-Backbone interact. energy: 0.742 local terms energy: -288.139272 where: bonds (distance) C4'-P energy: -68.419 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -56.902 flat angles P-C4'-P energy: -40.237 tors. eta vs tors. theta energy: -41.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -582.964888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.964888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.964888 (E_RNA) where: Base-Base interactions energy: -302.604 where: short stacking energy: -159.119 Base-Backbone interact. energy: 0.170 local terms energy: -280.531004 where: bonds (distance) C4'-P energy: -75.196 bonds (distance) P-C4' energy: -71.184 flat angles C4'-P-C4' energy: -65.678 flat angles P-C4'-P energy: -44.574 tors. eta vs tors. theta energy: -23.899 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: 251 Temperature: 1.300000 Total energy: -354.295180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.295180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.295180 (E_RNA) where: Base-Base interactions energy: -122.440 where: short stacking energy: -106.697 Base-Backbone interact. energy: -2.686 local terms energy: -229.168837 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -70.293 flat angles C4'-P-C4' energy: -51.463 flat angles P-C4'-P energy: -40.635 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -318.488238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.488238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.488238 (E_RNA) where: Base-Base interactions energy: -119.222 where: short stacking energy: -97.865 Base-Backbone interact. energy: -1.996 local terms energy: -197.270583 where: bonds (distance) C4'-P energy: -50.021 bonds (distance) P-C4' energy: -73.629 flat angles C4'-P-C4' energy: -50.529 flat angles P-C4'-P energy: -32.721 tors. eta vs tors. theta energy: 9.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1314.403376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.403376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.403376 (E_RNA) where: Base-Base interactions energy: -905.247 where: short stacking energy: -366.613 Base-Backbone interact. energy: -2.324 local terms energy: -406.832218 where: bonds (distance) C4'-P energy: -76.933 bonds (distance) P-C4' energy: -78.328 flat angles C4'-P-C4' energy: -87.136 flat angles P-C4'-P energy: -52.822 tors. eta vs tors. theta energy: -111.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1254.401802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.401802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.401802 (E_RNA) where: Base-Base interactions energy: -872.855 where: short stacking energy: -364.319 Base-Backbone interact. energy: -0.453 local terms energy: -381.094360 where: bonds (distance) C4'-P energy: -74.522 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -89.346 flat angles P-C4'-P energy: -52.907 tors. eta vs tors. theta energy: -92.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1221.611660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.611660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.611660 (E_RNA) where: Base-Base interactions energy: -816.851 where: short stacking energy: -362.038 Base-Backbone interact. energy: -1.480 local terms energy: -403.280576 where: bonds (distance) C4'-P energy: -74.515 bonds (distance) P-C4' energy: -81.582 flat angles C4'-P-C4' energy: -78.654 flat angles P-C4'-P energy: -58.621 tors. eta vs tors. theta energy: -109.908 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: 10 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1074.519445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.519445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.519445 (E_RNA) where: Base-Base interactions energy: -705.963 where: short stacking energy: -330.541 Base-Backbone interact. energy: -1.198 local terms energy: -367.358762 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -79.363 flat angles C4'-P-C4' energy: -80.467 flat angles P-C4'-P energy: -46.127 tors. eta vs tors. theta energy: -96.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -999.011546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.011546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.011546 (E_RNA) where: Base-Base interactions energy: -654.997 where: short stacking energy: -257.085 Base-Backbone interact. energy: -1.071 local terms energy: -342.944002 where: bonds (distance) C4'-P energy: -80.612 bonds (distance) P-C4' energy: -72.453 flat angles C4'-P-C4' energy: -74.080 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -64.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -784.197470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.197470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.197470 (E_RNA) where: Base-Base interactions energy: -497.728 where: short stacking energy: -220.376 Base-Backbone interact. energy: -0.413 local terms energy: -286.056801 where: bonds (distance) C4'-P energy: -64.960 bonds (distance) P-C4' energy: -62.459 flat angles C4'-P-C4' energy: -67.940 flat angles P-C4'-P energy: -50.501 tors. eta vs tors. theta energy: -40.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -759.931744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.931744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.931744 (E_RNA) where: Base-Base interactions energy: -448.179 where: short stacking energy: -204.277 Base-Backbone interact. energy: -1.897 local terms energy: -309.855229 where: bonds (distance) C4'-P energy: -75.581 bonds (distance) P-C4' energy: -71.928 flat angles C4'-P-C4' energy: -68.636 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -46.758 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: 8, replica: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -552.973457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.973457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.973457 (E_RNA) where: Base-Base interactions energy: -316.854 where: short stacking energy: -145.194 Base-Backbone interact. energy: -1.349 local terms energy: -234.770480 where: bonds (distance) C4'-P energy: -71.571 bonds (distance) P-C4' energy: -49.467 flat angles C4'-P-C4' energy: -65.253 flat angles P-C4'-P energy: -37.605 tors. eta vs tors. theta energy: -10.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -356.515579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.515579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.515579 (E_RNA) where: Base-Base interactions energy: -145.218 where: short stacking energy: -94.073 Base-Backbone interact. energy: 2.384 local terms energy: -213.682211 where: bonds (distance) C4'-P energy: -56.768 bonds (distance) P-C4' energy: -62.872 flat angles C4'-P-C4' energy: -69.057 flat angles P-C4'-P energy: -45.925 tors. eta vs tors. theta energy: 20.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -308.610970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.610970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.610970 (E_RNA) where: Base-Base interactions energy: -106.179 where: short stacking energy: -77.362 Base-Backbone interact. energy: -2.610 local terms energy: -199.822430 where: bonds (distance) C4'-P energy: -65.972 bonds (distance) P-C4' energy: -62.011 flat angles C4'-P-C4' energy: -44.366 flat angles P-C4'-P energy: -41.104 tors. eta vs tors. theta energy: 13.630 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: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1315.533933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.533933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.533933 (E_RNA) where: Base-Base interactions energy: -913.559 where: short stacking energy: -364.946 Base-Backbone interact. energy: -1.226 local terms energy: -400.748751 where: bonds (distance) C4'-P energy: -79.488 bonds (distance) P-C4' energy: -76.368 flat angles C4'-P-C4' energy: -85.118 flat angles P-C4'-P energy: -45.027 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: 253 Temperature: 0.950000 Total energy: -1315.732698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.732698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.732698 (E_RNA) where: Base-Base interactions energy: -896.516 where: short stacking energy: -387.273 Base-Backbone interact. energy: -3.408 local terms energy: -415.808463 where: bonds (distance) C4'-P energy: -74.331 bonds (distance) P-C4' energy: -77.676 flat angles C4'-P-C4' energy: -86.912 flat angles P-C4'-P energy: -63.343 tors. eta vs tors. theta energy: -113.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1185.663942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.663942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.663942 (E_RNA) where: Base-Base interactions energy: -795.429 where: short stacking energy: -331.580 Base-Backbone interact. energy: -1.982 local terms energy: -388.252662 where: bonds (distance) C4'-P energy: -71.735 bonds (distance) P-C4' energy: -83.763 flat angles C4'-P-C4' energy: -74.129 flat angles P-C4'-P energy: -55.946 tors. eta vs tors. theta energy: -102.680 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: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1032.915542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.915542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.915542 (E_RNA) where: Base-Base interactions energy: -672.663 where: short stacking energy: -287.631 Base-Backbone interact. energy: -1.712 local terms energy: -358.540589 where: bonds (distance) C4'-P energy: -72.962 bonds (distance) P-C4' energy: -66.973 flat angles C4'-P-C4' energy: -79.804 flat angles P-C4'-P energy: -58.299 tors. eta vs tors. theta energy: -80.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -977.513793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.513793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.513793 (E_RNA) where: Base-Base interactions energy: -658.717 where: short stacking energy: -294.823 Base-Backbone interact. energy: 2.222 local terms energy: -321.018769 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -71.030 flat angles C4'-P-C4' energy: -62.745 flat angles P-C4'-P energy: -42.325 tors. eta vs tors. theta energy: -81.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -780.394868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.394868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.394868 (E_RNA) where: Base-Base interactions energy: -496.637 where: short stacking energy: -237.614 Base-Backbone interact. energy: -0.957 local terms energy: -282.801252 where: bonds (distance) C4'-P energy: -62.127 bonds (distance) P-C4' energy: -74.902 flat angles C4'-P-C4' energy: -63.371 flat angles P-C4'-P energy: -39.828 tors. eta vs tors. theta energy: -42.573 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: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -753.586455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.586455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.586455 (E_RNA) where: Base-Base interactions energy: -471.593 where: short stacking energy: -213.752 Base-Backbone interact. energy: -0.329 local terms energy: -281.664194 where: bonds (distance) C4'-P energy: -60.349 bonds (distance) P-C4' energy: -75.374 flat angles C4'-P-C4' energy: -63.592 flat angles P-C4'-P energy: -41.301 tors. eta vs tors. theta energy: -41.050 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: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -587.408614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.408614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.408614 (E_RNA) where: Base-Base interactions energy: -314.738 where: short stacking energy: -160.015 Base-Backbone interact. energy: 0.573 local terms energy: -273.243118 where: bonds (distance) C4'-P energy: -62.912 bonds (distance) P-C4' energy: -85.578 flat angles C4'-P-C4' energy: -63.916 flat angles P-C4'-P energy: -38.345 tors. eta vs tors. theta energy: -22.492 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: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -342.837973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.837973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.837973 (E_RNA) where: Base-Base interactions energy: -105.468 where: short stacking energy: -68.706 Base-Backbone interact. energy: -3.248 local terms energy: -234.122218 where: bonds (distance) C4'-P energy: -76.384 bonds (distance) P-C4' energy: -68.618 flat angles C4'-P-C4' energy: -61.720 flat angles P-C4'-P energy: -34.894 tors. eta vs tors. theta energy: 7.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -330.421282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.421282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.421282 (E_RNA) where: Base-Base interactions energy: -135.750 where: short stacking energy: -104.108 Base-Backbone interact. energy: -0.113 local terms energy: -194.558516 where: bonds (distance) C4'-P energy: -64.901 bonds (distance) P-C4' energy: -61.677 flat angles C4'-P-C4' energy: -46.610 flat angles P-C4'-P energy: -41.520 tors. eta vs tors. theta energy: 20.150 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: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1319.046628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.046628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.046628 (E_RNA) where: Base-Base interactions energy: -881.238 where: short stacking energy: -381.676 Base-Backbone interact. energy: -1.065 local terms energy: -436.742740 where: bonds (distance) C4'-P energy: -76.160 bonds (distance) P-C4' energy: -87.003 flat angles C4'-P-C4' energy: -89.680 flat angles P-C4'-P energy: -63.696 tors. eta vs tors. theta energy: -120.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1286.645959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.645959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.645959 (E_RNA) where: Base-Base interactions energy: -875.167 where: short stacking energy: -343.648 Base-Backbone interact. energy: -2.450 local terms energy: -409.028908 where: bonds (distance) C4'-P energy: -86.498 bonds (distance) P-C4' energy: -82.347 flat angles C4'-P-C4' energy: -82.911 flat angles P-C4'-P energy: -55.083 tors. eta vs tors. theta energy: -102.190 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: 254 Temperature: 1.000000 Total energy: -1201.397337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.397337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.397337 (E_RNA) where: Base-Base interactions energy: -790.439 where: short stacking energy: -337.322 Base-Backbone interact. energy: -2.232 local terms energy: -408.726380 where: bonds (distance) C4'-P energy: -77.966 bonds (distance) P-C4' energy: -81.546 flat angles C4'-P-C4' energy: -88.996 flat angles P-C4'-P energy: -61.125 tors. eta vs tors. theta energy: -99.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1087.192320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.192320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.192320 (E_RNA) where: Base-Base interactions energy: -720.276 where: short stacking energy: -316.430 Base-Backbone interact. energy: -0.870 local terms energy: -366.046889 where: bonds (distance) C4'-P energy: -65.292 bonds (distance) P-C4' energy: -76.151 flat angles C4'-P-C4' energy: -86.421 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -82.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1009.894039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.894039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.894039 (E_RNA) where: Base-Base interactions energy: -660.698 where: short stacking energy: -297.242 Base-Backbone interact. energy: -2.501 local terms energy: -346.695226 where: bonds (distance) C4'-P energy: -68.621 bonds (distance) P-C4' energy: -70.697 flat angles C4'-P-C4' energy: -76.461 flat angles P-C4'-P energy: -54.227 tors. eta vs tors. theta energy: -76.688 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: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -879.679947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.679947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.679947 (E_RNA) where: Base-Base interactions energy: -561.854 where: short stacking energy: -250.800 Base-Backbone interact. energy: -3.110 local terms energy: -314.715803 where: bonds (distance) C4'-P energy: -65.819 bonds (distance) P-C4' energy: -72.987 flat angles C4'-P-C4' energy: -71.071 flat angles P-C4'-P energy: -49.008 tors. eta vs tors. theta energy: -55.830 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: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -754.419706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.419706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.419706 (E_RNA) where: Base-Base interactions energy: -456.715 where: short stacking energy: -202.292 Base-Backbone interact. energy: -1.747 local terms energy: -295.957999 where: bonds (distance) C4'-P energy: -68.999 bonds (distance) P-C4' energy: -78.837 flat angles C4'-P-C4' energy: -61.832 flat angles P-C4'-P energy: -39.357 tors. eta vs tors. theta energy: -46.933 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: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -587.033976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.033976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.033976 (E_RNA) where: Base-Base interactions energy: -305.629 where: short stacking energy: -156.409 Base-Backbone interact. energy: 0.548 local terms energy: -281.952720 where: bonds (distance) C4'-P energy: -69.302 bonds (distance) P-C4' energy: -79.091 flat angles C4'-P-C4' energy: -70.625 flat angles P-C4'-P energy: -42.858 tors. eta vs tors. theta energy: -20.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -347.092638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.092638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.092638 (E_RNA) where: Base-Base interactions energy: -130.872 where: short stacking energy: -98.190 Base-Backbone interact. energy: -0.508 local terms energy: -215.712592 where: bonds (distance) C4'-P energy: -81.033 bonds (distance) P-C4' energy: -59.902 flat angles C4'-P-C4' energy: -52.819 flat angles P-C4'-P energy: -26.987 tors. eta vs tors. theta energy: 5.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -332.248015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.248015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.248015 (E_RNA) where: Base-Base interactions energy: -106.926 where: short stacking energy: -71.725 Base-Backbone interact. energy: -1.678 local terms energy: -223.644072 where: bonds (distance) C4'-P energy: -66.927 bonds (distance) P-C4' energy: -81.322 flat angles C4'-P-C4' energy: -53.329 flat angles P-C4'-P energy: -39.038 tors. eta vs tors. theta energy: 16.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1303.241801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.241801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.241801 (E_RNA) where: Base-Base interactions energy: -880.017 where: short stacking energy: -381.017 Base-Backbone interact. energy: 2.019 local terms energy: -425.243596 where: bonds (distance) C4'-P energy: -77.000 bonds (distance) P-C4' energy: -87.379 flat angles C4'-P-C4' energy: -87.347 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -114.183 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: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1275.540279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.540279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.540279 (E_RNA) where: Base-Base interactions energy: -861.824 where: short stacking energy: -341.129 Base-Backbone interact. energy: -0.501 local terms energy: -413.214885 where: bonds (distance) C4'-P energy: -82.111 bonds (distance) P-C4' energy: -76.861 flat angles C4'-P-C4' energy: -90.488 flat angles P-C4'-P energy: -59.435 tors. eta vs tors. theta energy: -104.319 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: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1221.423717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.423717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.423717 (E_RNA) where: Base-Base interactions energy: -816.957 where: short stacking energy: -375.459 Base-Backbone interact. energy: -1.936 local terms energy: -402.531574 where: bonds (distance) C4'-P energy: -63.323 bonds (distance) P-C4' energy: -71.824 flat angles C4'-P-C4' energy: -87.435 flat angles P-C4'-P energy: -59.553 tors. eta vs tors. theta energy: -120.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1068.232536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.232536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.232536 (E_RNA) where: Base-Base interactions energy: -701.919 where: short stacking energy: -308.407 Base-Backbone interact. energy: -1.722 local terms energy: -364.592426 where: bonds (distance) C4'-P energy: -67.468 bonds (distance) P-C4' energy: -80.474 flat angles C4'-P-C4' energy: -80.102 flat angles P-C4'-P energy: -52.407 tors. eta vs tors. theta energy: -84.140 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: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1013.159670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.159670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.159670 (E_RNA) where: Base-Base interactions energy: -680.130 where: short stacking energy: -282.020 Base-Backbone interact. energy: 0.667 local terms energy: -333.696659 where: bonds (distance) C4'-P energy: -74.543 bonds (distance) P-C4' energy: -67.187 flat angles C4'-P-C4' energy: -78.340 flat angles P-C4'-P energy: -34.933 tors. eta vs tors. theta energy: -78.694 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: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -851.916853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.916853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.916853 (E_RNA) where: Base-Base interactions energy: -542.068 where: short stacking energy: -236.564 Base-Backbone interact. energy: 0.541 local terms energy: -310.389737 where: bonds (distance) C4'-P energy: -62.223 bonds (distance) P-C4' energy: -74.371 flat angles C4'-P-C4' energy: -69.916 flat angles P-C4'-P energy: -43.109 tors. eta vs tors. theta energy: -60.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -712.246359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.246359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.246359 (E_RNA) where: Base-Base interactions energy: -436.368 where: short stacking energy: -186.318 Base-Backbone interact. energy: -0.195 local terms energy: -275.683707 where: bonds (distance) C4'-P energy: -62.097 bonds (distance) P-C4' energy: -65.586 flat angles C4'-P-C4' energy: -65.769 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: -31.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -578.347792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.347792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.347792 (E_RNA) where: Base-Base interactions energy: -318.316 where: short stacking energy: -162.626 Base-Backbone interact. energy: -1.164 local terms energy: -258.868527 where: bonds (distance) C4'-P energy: -72.871 bonds (distance) P-C4' energy: -62.740 flat angles C4'-P-C4' energy: -66.878 flat angles P-C4'-P energy: -39.013 tors. eta vs tors. theta energy: -17.366 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: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -346.767675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.767675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.767675 (E_RNA) where: Base-Base interactions energy: -158.872 where: short stacking energy: -110.174 Base-Backbone interact. energy: 1.565 local terms energy: -189.461122 where: bonds (distance) C4'-P energy: -50.774 bonds (distance) P-C4' energy: -68.732 flat angles C4'-P-C4' energy: -44.116 flat angles P-C4'-P energy: -27.177 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: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -317.215050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.215050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.215050 (E_RNA) where: Base-Base interactions energy: -109.625 where: short stacking energy: -91.886 Base-Backbone interact. energy: -0.404 local terms energy: -207.185568 where: bonds (distance) C4'-P energy: -63.239 bonds (distance) P-C4' energy: -72.785 flat angles C4'-P-C4' energy: -63.581 flat angles P-C4'-P energy: -24.235 tors. eta vs tors. theta energy: 16.654 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: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1323.472557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.472557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.472557 (E_RNA) where: Base-Base interactions energy: -897.208 where: short stacking energy: -391.636 Base-Backbone interact. energy: -1.425 local terms energy: -424.839060 where: bonds (distance) C4'-P energy: -68.671 bonds (distance) P-C4' energy: -84.651 flat angles C4'-P-C4' energy: -86.155 flat angles P-C4'-P energy: -59.276 tors. eta vs tors. theta energy: -126.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1270.346078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.346078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.346078 (E_RNA) where: Base-Base interactions energy: -849.709 where: short stacking energy: -367.537 Base-Backbone interact. energy: -1.972 local terms energy: -418.664714 where: bonds (distance) C4'-P energy: -81.030 bonds (distance) P-C4' energy: -82.850 flat angles C4'-P-C4' energy: -94.233 flat angles P-C4'-P energy: -51.827 tors. eta vs tors. theta energy: -108.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1204.250972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.250972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.250972 (E_RNA) where: Base-Base interactions energy: -788.637 where: short stacking energy: -357.301 Base-Backbone interact. energy: -0.386 local terms energy: -415.228263 where: bonds (distance) C4'-P energy: -73.598 bonds (distance) P-C4' energy: -70.482 flat angles C4'-P-C4' energy: -88.839 flat angles P-C4'-P energy: -65.402 tors. eta vs tors. theta energy: -116.907 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: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1036.607700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.607700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.607700 (E_RNA) where: Base-Base interactions energy: -686.393 where: short stacking energy: -301.721 Base-Backbone interact. energy: -1.926 local terms energy: -348.289249 where: bonds (distance) C4'-P energy: -66.076 bonds (distance) P-C4' energy: -72.381 flat angles C4'-P-C4' energy: -83.844 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -75.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1057.561377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.561377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.561377 (E_RNA) where: Base-Base interactions energy: -696.923 where: short stacking energy: -291.053 Base-Backbone interact. energy: -2.146 local terms energy: -358.492074 where: bonds (distance) C4'-P energy: -65.027 bonds (distance) P-C4' energy: -68.585 flat angles C4'-P-C4' energy: -78.923 flat angles P-C4'-P energy: -57.693 tors. eta vs tors. theta energy: -88.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -850.783544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.783544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.783544 (E_RNA) where: Base-Base interactions energy: -523.992 where: short stacking energy: -220.583 Base-Backbone interact. energy: -0.695 local terms energy: -326.096532 where: bonds (distance) C4'-P energy: -63.141 bonds (distance) P-C4' energy: -82.700 flat angles C4'-P-C4' energy: -71.250 flat angles P-C4'-P energy: -57.123 tors. eta vs tors. theta energy: -51.882 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: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -700.464893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.464893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.464893 (E_RNA) where: Base-Base interactions energy: -414.462 where: short stacking energy: -190.015 Base-Backbone interact. energy: 0.582 local terms energy: -286.585126 where: bonds (distance) C4'-P energy: -76.505 bonds (distance) P-C4' energy: -76.245 flat angles C4'-P-C4' energy: -56.954 flat angles P-C4'-P energy: -48.738 tors. eta vs tors. theta energy: -28.143 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: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -565.952808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.952808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.952808 (E_RNA) where: Base-Base interactions energy: -305.141 where: short stacking energy: -147.160 Base-Backbone interact. energy: -2.203 local terms energy: -258.608716 where: bonds (distance) C4'-P energy: -64.651 bonds (distance) P-C4' energy: -74.390 flat angles C4'-P-C4' energy: -56.143 flat angles P-C4'-P energy: -40.948 tors. eta vs tors. theta energy: -22.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -326.602230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.602230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.602230 (E_RNA) where: Base-Base interactions energy: -122.679 where: short stacking energy: -110.034 Base-Backbone interact. energy: 1.080 local terms energy: -205.003152 where: bonds (distance) C4'-P energy: -56.738 bonds (distance) P-C4' energy: -60.457 flat angles C4'-P-C4' energy: -58.022 flat angles P-C4'-P energy: -28.221 tors. eta vs tors. theta energy: -1.565 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: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -348.783173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.783173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.783173 (E_RNA) where: Base-Base interactions energy: -135.667 where: short stacking energy: -84.615 Base-Backbone interact. energy: 4.594 local terms energy: -217.710528 where: bonds (distance) C4'-P energy: -73.022 bonds (distance) P-C4' energy: -74.189 flat angles C4'-P-C4' energy: -38.615 flat angles P-C4'-P energy: -27.497 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1321.276429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.276429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.276429 (E_RNA) where: Base-Base interactions energy: -912.442 where: short stacking energy: -378.536 Base-Backbone interact. energy: 5.196 local terms energy: -414.030554 where: bonds (distance) C4'-P energy: -78.998 bonds (distance) P-C4' energy: -73.840 flat angles C4'-P-C4' energy: -85.931 flat angles P-C4'-P energy: -57.191 tors. eta vs tors. theta energy: -118.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1293.514429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.514429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.514429 (E_RNA) where: Base-Base interactions energy: -897.324 where: short stacking energy: -356.736 Base-Backbone interact. energy: 0.797 local terms energy: -396.987558 where: bonds (distance) C4'-P energy: -66.322 bonds (distance) P-C4' energy: -89.138 flat angles C4'-P-C4' energy: -81.757 flat angles P-C4'-P energy: -61.883 tors. eta vs tors. theta energy: -97.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1223.145569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.145569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.145569 (E_RNA) where: Base-Base interactions energy: -819.851 where: short stacking energy: -375.305 Base-Backbone interact. energy: 0.439 local terms energy: -403.733534 where: bonds (distance) C4'-P energy: -73.894 bonds (distance) P-C4' energy: -81.025 flat angles C4'-P-C4' energy: -82.438 flat angles P-C4'-P energy: -53.356 tors. eta vs tors. theta energy: -113.021 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: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1088.963294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.963294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.963294 (E_RNA) where: Base-Base interactions energy: -714.052 where: short stacking energy: -297.861 Base-Backbone interact. energy: -0.631 local terms energy: -374.279725 where: bonds (distance) C4'-P energy: -74.845 bonds (distance) P-C4' energy: -67.574 flat angles C4'-P-C4' energy: -77.558 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -95.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -963.669824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.669824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.669824 (E_RNA) where: Base-Base interactions energy: -630.244 where: short stacking energy: -284.730 Base-Backbone interact. energy: -1.304 local terms energy: -332.122495 where: bonds (distance) C4'-P energy: -68.743 bonds (distance) P-C4' energy: -62.551 flat angles C4'-P-C4' energy: -69.041 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -78.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -832.737406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.737406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.737406 (E_RNA) where: Base-Base interactions energy: -521.323 where: short stacking energy: -227.144 Base-Backbone interact. energy: -2.177 local terms energy: -309.237597 where: bonds (distance) C4'-P energy: -72.421 bonds (distance) P-C4' energy: -72.209 flat angles C4'-P-C4' energy: -70.191 flat angles P-C4'-P energy: -43.551 tors. eta vs tors. theta energy: -50.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -691.014217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.014217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.014217 (E_RNA) where: Base-Base interactions energy: -405.810 where: short stacking energy: -175.023 Base-Backbone interact. energy: -0.704 local terms energy: -284.499825 where: bonds (distance) C4'-P energy: -74.726 bonds (distance) P-C4' energy: -73.068 flat angles C4'-P-C4' energy: -75.198 flat angles P-C4'-P energy: -42.820 tors. eta vs tors. theta energy: -18.688 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: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -548.976162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.976162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.976162 (E_RNA) where: Base-Base interactions energy: -287.322 where: short stacking energy: -164.500 Base-Backbone interact. energy: -1.982 local terms energy: -259.671452 where: bonds (distance) C4'-P energy: -71.203 bonds (distance) P-C4' energy: -65.489 flat angles C4'-P-C4' energy: -66.854 flat angles P-C4'-P energy: -22.622 tors. eta vs tors. theta energy: -33.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -336.221804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.221804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.221804 (E_RNA) where: Base-Base interactions energy: -126.977 where: short stacking energy: -93.894 Base-Backbone interact. energy: 1.853 local terms energy: -211.098243 where: bonds (distance) C4'-P energy: -63.876 bonds (distance) P-C4' energy: -77.097 flat angles C4'-P-C4' energy: -56.702 flat angles P-C4'-P energy: -28.725 tors. eta vs tors. theta energy: 15.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -400.500058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.500058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.500058 (E_RNA) where: Base-Base interactions energy: -192.895 where: short stacking energy: -99.052 Base-Backbone interact. energy: -1.047 local terms energy: -206.558114 where: bonds (distance) C4'-P energy: -56.217 bonds (distance) P-C4' energy: -72.257 flat angles C4'-P-C4' energy: -61.945 flat angles P-C4'-P energy: -18.557 tors. eta vs tors. theta energy: 2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1307.077796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.077796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.077796 (E_RNA) where: Base-Base interactions energy: -907.296 where: short stacking energy: -366.997 Base-Backbone interact. energy: 0.426 local terms energy: -400.208542 where: bonds (distance) C4'-P energy: -74.676 bonds (distance) P-C4' energy: -80.779 flat angles C4'-P-C4' energy: -82.906 flat angles P-C4'-P energy: -53.616 tors. eta vs tors. theta energy: -108.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1291.397108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.397108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.397108 (E_RNA) where: Base-Base interactions energy: -890.022 where: short stacking energy: -338.154 Base-Backbone interact. energy: -1.453 local terms energy: -399.921941 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -77.396 flat angles C4'-P-C4' energy: -78.639 flat angles P-C4'-P energy: -62.848 tors. eta vs tors. theta energy: -99.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1220.310222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.310222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.310222 (E_RNA) where: Base-Base interactions energy: -804.812 where: short stacking energy: -366.262 Base-Backbone interact. energy: -2.624 local terms energy: -412.874094 where: bonds (distance) C4'-P energy: -64.965 bonds (distance) P-C4' energy: -86.933 flat angles C4'-P-C4' energy: -83.551 flat angles P-C4'-P energy: -61.484 tors. eta vs tors. theta energy: -115.941 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: 258 Temperature: 1.050000 Total energy: -1092.658403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.658403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.658403 (E_RNA) where: Base-Base interactions energy: -732.432 where: short stacking energy: -318.470 Base-Backbone interact. energy: -4.017 local terms energy: -356.209172 where: bonds (distance) C4'-P energy: -72.329 bonds (distance) P-C4' energy: -61.931 flat angles C4'-P-C4' energy: -82.060 flat angles P-C4'-P energy: -51.578 tors. eta vs tors. theta energy: -88.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -964.249343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.249343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.249343 (E_RNA) where: Base-Base interactions energy: -625.596 where: short stacking energy: -254.627 Base-Backbone interact. energy: 2.155 local terms energy: -340.807661 where: bonds (distance) C4'-P energy: -57.711 bonds (distance) P-C4' energy: -78.696 flat angles C4'-P-C4' energy: -79.583 flat angles P-C4'-P energy: -54.802 tors. eta vs tors. theta energy: -70.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -811.892656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.892656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.892656 (E_RNA) where: Base-Base interactions energy: -493.539 where: short stacking energy: -232.100 Base-Backbone interact. energy: -0.851 local terms energy: -317.502363 where: bonds (distance) C4'-P energy: -77.424 bonds (distance) P-C4' energy: -79.154 flat angles C4'-P-C4' energy: -50.305 flat angles P-C4'-P energy: -55.180 tors. eta vs tors. theta energy: -55.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -730.903769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.903769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.903769 (E_RNA) where: Base-Base interactions energy: -421.881 where: short stacking energy: -201.205 Base-Backbone interact. energy: -0.903 local terms energy: -308.120459 where: bonds (distance) C4'-P energy: -74.174 bonds (distance) P-C4' energy: -77.893 flat angles C4'-P-C4' energy: -65.427 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -38.636 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: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -558.045345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.045345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.045345 (E_RNA) where: Base-Base interactions energy: -311.608 where: short stacking energy: -161.913 Base-Backbone interact. energy: 0.393 local terms energy: -246.830878 where: bonds (distance) C4'-P energy: -73.786 bonds (distance) P-C4' energy: -67.433 flat angles C4'-P-C4' energy: -61.738 flat angles P-C4'-P energy: -29.120 tors. eta vs tors. theta energy: -14.753 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: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -414.166180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.166180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.166180 (E_RNA) where: Base-Base interactions energy: -192.383 where: short stacking energy: -124.633 Base-Backbone interact. energy: -0.657 local terms energy: -221.125931 where: bonds (distance) C4'-P energy: -52.739 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -60.861 flat angles P-C4'-P energy: -41.364 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -337.485372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.485372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.485372 (E_RNA) where: Base-Base interactions energy: -145.443 where: short stacking energy: -112.439 Base-Backbone interact. energy: -1.470 local terms energy: -190.572034 where: bonds (distance) C4'-P energy: -57.947 bonds (distance) P-C4' energy: -62.938 flat angles C4'-P-C4' energy: -42.648 flat angles P-C4'-P energy: -31.682 tors. eta vs tors. theta energy: 4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1300.793419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.793419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.793419 (E_RNA) where: Base-Base interactions energy: -880.732 where: short stacking energy: -368.459 Base-Backbone interact. energy: -1.044 local terms energy: -419.016801 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -80.387 flat angles C4'-P-C4' energy: -88.784 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -104.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1275.163601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.163601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.163601 (E_RNA) where: Base-Base interactions energy: -877.189 where: short stacking energy: -334.801 Base-Backbone interact. energy: 0.813 local terms energy: -398.787784 where: bonds (distance) C4'-P energy: -75.223 bonds (distance) P-C4' energy: -85.685 flat angles C4'-P-C4' energy: -88.432 flat angles P-C4'-P energy: -53.618 tors. eta vs tors. theta energy: -95.830 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: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1211.777592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.777592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.777592 (E_RNA) where: Base-Base interactions energy: -802.641 where: short stacking energy: -346.383 Base-Backbone interact. energy: 2.182 local terms energy: -411.317765 where: bonds (distance) C4'-P energy: -79.966 bonds (distance) P-C4' energy: -79.736 flat angles C4'-P-C4' energy: -89.500 flat angles P-C4'-P energy: -53.201 tors. eta vs tors. theta energy: -108.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1065.710114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.710114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.710114 (E_RNA) where: Base-Base interactions energy: -694.594 where: short stacking energy: -293.691 Base-Backbone interact. energy: -1.221 local terms energy: -369.895613 where: bonds (distance) C4'-P energy: -77.331 bonds (distance) P-C4' energy: -75.549 flat angles C4'-P-C4' energy: -69.639 flat angles P-C4'-P energy: -58.851 tors. eta vs tors. theta energy: -88.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1015.244447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.244447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.244447 (E_RNA) where: Base-Base interactions energy: -638.147 where: short stacking energy: -264.610 Base-Backbone interact. energy: -2.363 local terms energy: -374.734788 where: bonds (distance) C4'-P energy: -70.316 bonds (distance) P-C4' energy: -82.292 flat angles C4'-P-C4' energy: -83.206 flat angles P-C4'-P energy: -59.193 tors. eta vs tors. theta energy: -79.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -817.210307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.210307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.210307 (E_RNA) where: Base-Base interactions energy: -505.367 where: short stacking energy: -228.828 Base-Backbone interact. energy: -0.778 local terms energy: -311.064873 where: bonds (distance) C4'-P energy: -68.283 bonds (distance) P-C4' energy: -74.975 flat angles C4'-P-C4' energy: -75.792 flat angles P-C4'-P energy: -36.650 tors. eta vs tors. theta energy: -55.365 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: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -676.152138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.152138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.152138 (E_RNA) where: Base-Base interactions energy: -391.334 where: short stacking energy: -181.815 Base-Backbone interact. energy: 0.915 local terms energy: -285.733579 where: bonds (distance) C4'-P energy: -70.123 bonds (distance) P-C4' energy: -75.477 flat angles C4'-P-C4' energy: -74.938 flat angles P-C4'-P energy: -47.280 tors. eta vs tors. theta energy: -17.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -576.853104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.853104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.853104 (E_RNA) where: Base-Base interactions energy: -292.537 where: short stacking energy: -165.754 Base-Backbone interact. energy: -1.109 local terms energy: -283.206650 where: bonds (distance) C4'-P energy: -68.988 bonds (distance) P-C4' energy: -76.673 flat angles C4'-P-C4' energy: -62.736 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: -24.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -389.632653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.632653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.632653 (E_RNA) where: Base-Base interactions energy: -185.351 where: short stacking energy: -110.978 Base-Backbone interact. energy: 3.309 local terms energy: -207.591441 where: bonds (distance) C4'-P energy: -68.380 bonds (distance) P-C4' energy: -68.056 flat angles C4'-P-C4' energy: -47.190 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: 11.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -329.619329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.619329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.619329 (E_RNA) where: Base-Base interactions energy: -129.313 where: short stacking energy: -98.441 Base-Backbone interact. energy: 1.206 local terms energy: -201.512253 where: bonds (distance) C4'-P energy: -65.770 bonds (distance) P-C4' energy: -73.049 flat angles C4'-P-C4' energy: -50.578 flat angles P-C4'-P energy: -31.315 tors. eta vs tors. theta energy: 19.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1323.055747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.055747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.055747 (E_RNA) where: Base-Base interactions energy: -902.317 where: short stacking energy: -376.122 Base-Backbone interact. energy: -2.620 local terms energy: -418.118505 where: bonds (distance) C4'-P energy: -80.411 bonds (distance) P-C4' energy: -76.654 flat angles C4'-P-C4' energy: -78.320 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -115.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1267.474205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.474205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.474205 (E_RNA) where: Base-Base interactions energy: -857.605 where: short stacking energy: -359.352 Base-Backbone interact. energy: -2.830 local terms energy: -407.038958 where: bonds (distance) C4'-P energy: -71.412 bonds (distance) P-C4' energy: -85.044 flat angles C4'-P-C4' energy: -82.296 flat angles P-C4'-P energy: -66.491 tors. eta vs tors. theta energy: -101.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1172.435341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.435341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.435341 (E_RNA) where: Base-Base interactions energy: -778.819 where: short stacking energy: -319.696 Base-Backbone interact. energy: -1.181 local terms energy: -392.435302 where: bonds (distance) C4'-P energy: -69.250 bonds (distance) P-C4' energy: -79.438 flat angles C4'-P-C4' energy: -93.532 flat angles P-C4'-P energy: -55.792 tors. eta vs tors. theta energy: -94.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1079.008156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.008156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.008156 (E_RNA) where: Base-Base interactions energy: -720.482 where: short stacking energy: -288.747 Base-Backbone interact. energy: -4.391 local terms energy: -354.135799 where: bonds (distance) C4'-P energy: -60.253 bonds (distance) P-C4' energy: -76.081 flat angles C4'-P-C4' energy: -78.572 flat angles P-C4'-P energy: -57.674 tors. eta vs tors. theta energy: -81.556 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: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -942.507768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.507768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.507768 (E_RNA) where: Base-Base interactions energy: -596.530 where: short stacking energy: -243.826 Base-Backbone interact. energy: -3.214 local terms energy: -342.763094 where: bonds (distance) C4'-P energy: -82.623 bonds (distance) P-C4' energy: -78.079 flat angles C4'-P-C4' energy: -76.496 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -56.792 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: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -872.271072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.271072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.271072 (E_RNA) where: Base-Base interactions energy: -561.792 where: short stacking energy: -221.116 Base-Backbone interact. energy: 0.493 local terms energy: -310.972092 where: bonds (distance) C4'-P energy: -67.855 bonds (distance) P-C4' energy: -72.023 flat angles C4'-P-C4' energy: -72.554 flat angles P-C4'-P energy: -42.923 tors. eta vs tors. theta energy: -55.617 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: 7, replica: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -562.700452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.700452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.700452 (E_RNA) where: Base-Base interactions energy: -274.932 where: short stacking energy: -158.480 Base-Backbone interact. energy: -1.284 local terms energy: -286.484511 where: bonds (distance) C4'-P energy: -77.190 bonds (distance) P-C4' energy: -76.834 flat angles C4'-P-C4' energy: -79.034 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -12.402 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: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -633.861157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.861157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.861157 (E_RNA) where: Base-Base interactions energy: -361.229 where: short stacking energy: -174.806 Base-Backbone interact. energy: 0.753 local terms energy: -273.385161 where: bonds (distance) C4'-P energy: -69.768 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -64.121 flat angles P-C4'-P energy: -43.549 tors. eta vs tors. theta energy: -21.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -419.082876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.082876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.082876 (E_RNA) where: Base-Base interactions energy: -192.889 where: short stacking energy: -107.119 Base-Backbone interact. energy: -1.628 local terms energy: -224.565827 where: bonds (distance) C4'-P energy: -59.893 bonds (distance) P-C4' energy: -65.382 flat angles C4'-P-C4' energy: -52.306 flat angles P-C4'-P energy: -45.191 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -373.505074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.505074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.505074 (E_RNA) where: Base-Base interactions energy: -143.604 where: short stacking energy: -99.863 Base-Backbone interact. energy: -0.554 local terms energy: -229.347214 where: bonds (distance) C4'-P energy: -72.986 bonds (distance) P-C4' energy: -84.140 flat angles C4'-P-C4' energy: -46.469 flat angles P-C4'-P energy: -26.494 tors. eta vs tors. theta energy: 0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1336.604292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.604292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.604292 (E_RNA) where: Base-Base interactions energy: -909.100 where: short stacking energy: -381.955 Base-Backbone interact. energy: 0.244 local terms energy: -427.749164 where: bonds (distance) C4'-P energy: -84.299 bonds (distance) P-C4' energy: -78.036 flat angles C4'-P-C4' energy: -89.096 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: -110.842 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: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1259.494786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.494786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.494786 (E_RNA) where: Base-Base interactions energy: -859.436 where: short stacking energy: -364.887 Base-Backbone interact. energy: 4.957 local terms energy: -405.015814 where: bonds (distance) C4'-P energy: -75.914 bonds (distance) P-C4' energy: -81.652 flat angles C4'-P-C4' energy: -85.758 flat angles P-C4'-P energy: -65.001 tors. eta vs tors. theta energy: -96.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1196.306212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.306212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.306212 (E_RNA) where: Base-Base interactions energy: -814.646 where: short stacking energy: -354.241 Base-Backbone interact. energy: -1.091 local terms energy: -380.569379 where: bonds (distance) C4'-P energy: -56.787 bonds (distance) P-C4' energy: -84.988 flat angles C4'-P-C4' energy: -87.008 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -102.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1111.217026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.217026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.217026 (E_RNA) where: Base-Base interactions energy: -778.675 where: short stacking energy: -308.151 Base-Backbone interact. energy: 0.737 local terms energy: -333.278427 where: bonds (distance) C4'-P energy: -55.524 bonds (distance) P-C4' energy: -72.815 flat angles C4'-P-C4' energy: -81.656 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -76.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -987.177437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.177437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.177437 (E_RNA) where: Base-Base interactions energy: -636.942 where: short stacking energy: -260.323 Base-Backbone interact. energy: -2.495 local terms energy: -347.740133 where: bonds (distance) C4'-P energy: -72.035 bonds (distance) P-C4' energy: -73.695 flat angles C4'-P-C4' energy: -90.120 flat angles P-C4'-P energy: -41.851 tors. eta vs tors. theta energy: -70.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -897.091880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.091880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.091880 (E_RNA) where: Base-Base interactions energy: -569.138 where: short stacking energy: -266.585 Base-Backbone interact. energy: 0.921 local terms energy: -328.875015 where: bonds (distance) C4'-P energy: -72.432 bonds (distance) P-C4' energy: -75.358 flat angles C4'-P-C4' energy: -75.561 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -64.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -586.294844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.294844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.294844 (E_RNA) where: Base-Base interactions energy: -294.069 where: short stacking energy: -172.868 Base-Backbone interact. energy: -1.765 local terms energy: -290.460790 where: bonds (distance) C4'-P energy: -69.468 bonds (distance) P-C4' energy: -75.198 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -49.632 tors. eta vs tors. theta energy: -25.219 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: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -657.810465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.810465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.810465 (E_RNA) where: Base-Base interactions energy: -392.368 where: short stacking energy: -187.071 Base-Backbone interact. energy: -0.086 local terms energy: -265.356707 where: bonds (distance) C4'-P energy: -53.173 bonds (distance) P-C4' energy: -76.580 flat angles C4'-P-C4' energy: -65.704 flat angles P-C4'-P energy: -37.367 tors. eta vs tors. theta energy: -32.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -407.816896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.816896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.816896 (E_RNA) where: Base-Base interactions energy: -158.462 where: short stacking energy: -99.702 Base-Backbone interact. energy: 0.423 local terms energy: -249.777933 where: bonds (distance) C4'-P energy: -72.887 bonds (distance) P-C4' energy: -74.972 flat angles C4'-P-C4' energy: -63.903 flat angles P-C4'-P energy: -37.334 tors. eta vs tors. theta energy: -0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -342.098842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.098842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.098842 (E_RNA) where: Base-Base interactions energy: -131.999 where: short stacking energy: -96.381 Base-Backbone interact. energy: -0.190 local terms energy: -209.909717 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -49.761 flat angles P-C4'-P energy: -34.265 tors. eta vs tors. theta energy: 9.698 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: 262 Temperature: 0.900000 Total energy: -1287.302388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.302388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.302388 (E_RNA) where: Base-Base interactions energy: -879.379 where: short stacking energy: -355.222 Base-Backbone interact. energy: -3.510 local terms energy: -404.412624 where: bonds (distance) C4'-P energy: -75.025 bonds (distance) P-C4' energy: -75.398 flat angles C4'-P-C4' energy: -86.381 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -100.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1305.507383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.507383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.507383 (E_RNA) where: Base-Base interactions energy: -883.755 where: short stacking energy: -371.269 Base-Backbone interact. energy: -0.709 local terms energy: -421.043643 where: bonds (distance) C4'-P energy: -84.439 bonds (distance) P-C4' energy: -78.417 flat angles C4'-P-C4' energy: -89.754 flat angles P-C4'-P energy: -55.903 tors. eta vs tors. theta energy: -112.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1222.215367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.215367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.215367 (E_RNA) where: Base-Base interactions energy: -835.509 where: short stacking energy: -360.115 Base-Backbone interact. energy: -0.709 local terms energy: -385.997439 where: bonds (distance) C4'-P energy: -77.577 bonds (distance) P-C4' energy: -71.146 flat angles C4'-P-C4' energy: -74.931 flat angles P-C4'-P energy: -57.577 tors. eta vs tors. theta energy: -104.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1132.012330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.012330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.012330 (E_RNA) where: Base-Base interactions energy: -777.508 where: short stacking energy: -318.518 Base-Backbone interact. energy: -2.441 local terms energy: -352.063017 where: bonds (distance) C4'-P energy: -65.472 bonds (distance) P-C4' energy: -69.738 flat angles C4'-P-C4' energy: -84.072 flat angles P-C4'-P energy: -46.620 tors. eta vs tors. theta energy: -86.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -971.916672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.916672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.916672 (E_RNA) where: Base-Base interactions energy: -613.077 where: short stacking energy: -258.815 Base-Backbone interact. energy: -0.360 local terms energy: -358.479381 where: bonds (distance) C4'-P energy: -69.760 bonds (distance) P-C4' energy: -79.388 flat angles C4'-P-C4' energy: -79.860 flat angles P-C4'-P energy: -54.751 tors. eta vs tors. theta energy: -74.721 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: 262 Temperature: 1.150000 Total energy: -815.206526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.206526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.206526 (E_RNA) where: Base-Base interactions energy: -505.292 where: short stacking energy: -219.498 Base-Backbone interact. energy: -4.136 local terms energy: -305.779086 where: bonds (distance) C4'-P energy: -61.161 bonds (distance) P-C4' energy: -78.742 flat angles C4'-P-C4' energy: -78.232 flat angles P-C4'-P energy: -35.997 tors. eta vs tors. theta energy: -51.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -693.479366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.479366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.479366 (E_RNA) where: Base-Base interactions energy: -396.458 where: short stacking energy: -204.389 Base-Backbone interact. energy: -2.803 local terms energy: -294.218377 where: bonds (distance) C4'-P energy: -67.146 bonds (distance) P-C4' energy: -69.092 flat angles C4'-P-C4' energy: -74.632 flat angles P-C4'-P energy: -40.290 tors. eta vs tors. theta energy: -43.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -527.508556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.508556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.508556 (E_RNA) where: Base-Base interactions energy: -288.083 where: short stacking energy: -139.097 Base-Backbone interact. energy: -1.180 local terms energy: -238.245972 where: bonds (distance) C4'-P energy: -59.400 bonds (distance) P-C4' energy: -80.951 flat angles C4'-P-C4' energy: -52.398 flat angles P-C4'-P energy: -40.614 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -373.370775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.370775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.370775 (E_RNA) where: Base-Base interactions energy: -124.157 where: short stacking energy: -103.120 Base-Backbone interact. energy: -1.174 local terms energy: -248.039343 where: bonds (distance) C4'-P energy: -68.977 bonds (distance) P-C4' energy: -67.982 flat angles C4'-P-C4' energy: -64.889 flat angles P-C4'-P energy: -37.769 tors. eta vs tors. theta energy: -8.422 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: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -369.183410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.183410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.183410 (E_RNA) where: Base-Base interactions energy: -174.759 where: short stacking energy: -110.706 Base-Backbone interact. energy: -1.427 local terms energy: -192.997146 where: bonds (distance) C4'-P energy: -53.107 bonds (distance) P-C4' energy: -68.039 flat angles C4'-P-C4' energy: -45.860 flat angles P-C4'-P energy: -36.251 tors. eta vs tors. theta energy: 10.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1300.930642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.930642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.930642 (E_RNA) where: Base-Base interactions energy: -876.054 where: short stacking energy: -367.049 Base-Backbone interact. energy: -1.045 local terms energy: -423.831256 where: bonds (distance) C4'-P energy: -81.832 bonds (distance) P-C4' energy: -75.150 flat angles C4'-P-C4' energy: -96.237 flat angles P-C4'-P energy: -64.935 tors. eta vs tors. theta energy: -105.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1261.610509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.610509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.610509 (E_RNA) where: Base-Base interactions energy: -873.123 where: short stacking energy: -363.340 Base-Backbone interact. energy: 1.253 local terms energy: -389.740751 where: bonds (distance) C4'-P energy: -68.542 bonds (distance) P-C4' energy: -71.430 flat angles C4'-P-C4' energy: -85.645 flat angles P-C4'-P energy: -59.867 tors. eta vs tors. theta energy: -104.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1213.880657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.880657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.880657 (E_RNA) where: Base-Base interactions energy: -816.033 where: short stacking energy: -344.845 Base-Backbone interact. energy: -0.127 local terms energy: -397.720360 where: bonds (distance) C4'-P energy: -74.499 bonds (distance) P-C4' energy: -73.414 flat angles C4'-P-C4' energy: -86.581 flat angles P-C4'-P energy: -56.069 tors. eta vs tors. theta energy: -107.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1102.802124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.802124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.802124 (E_RNA) where: Base-Base interactions energy: -749.624 where: short stacking energy: -319.582 Base-Backbone interact. energy: -1.348 local terms energy: -351.829364 where: bonds (distance) C4'-P energy: -68.247 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -84.271 flat angles P-C4'-P energy: -48.853 tors. eta vs tors. theta energy: -85.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -969.610588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.610588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.610588 (E_RNA) where: Base-Base interactions energy: -599.350 where: short stacking energy: -291.078 Base-Backbone interact. energy: -2.590 local terms energy: -367.670163 where: bonds (distance) C4'-P energy: -76.825 bonds (distance) P-C4' energy: -78.247 flat angles C4'-P-C4' energy: -75.909 flat angles P-C4'-P energy: -56.477 tors. eta vs tors. theta energy: -80.213 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: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -782.326703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.326703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.326703 (E_RNA) where: Base-Base interactions energy: -471.141 where: short stacking energy: -230.941 Base-Backbone interact. energy: -2.029 local terms energy: -309.157535 where: bonds (distance) C4'-P energy: -72.645 bonds (distance) P-C4' energy: -59.232 flat angles C4'-P-C4' energy: -68.368 flat angles P-C4'-P energy: -57.334 tors. eta vs tors. theta energy: -51.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -736.283073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.283073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.283073 (E_RNA) where: Base-Base interactions energy: -473.369 where: short stacking energy: -195.566 Base-Backbone interact. energy: -1.967 local terms energy: -260.947682 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -58.321 flat angles C4'-P-C4' energy: -70.141 flat angles P-C4'-P energy: -36.218 tors. eta vs tors. theta energy: -35.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -529.462697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.462697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.462697 (E_RNA) where: Base-Base interactions energy: -265.263 where: short stacking energy: -133.060 Base-Backbone interact. energy: -1.616 local terms energy: -262.583506 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -65.828 flat angles C4'-P-C4' energy: -70.149 flat angles P-C4'-P energy: -43.101 tors. eta vs tors. theta energy: -14.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -349.150903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.150903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.150903 (E_RNA) where: Base-Base interactions energy: -128.624 where: short stacking energy: -105.148 Base-Backbone interact. energy: -1.359 local terms energy: -219.168198 where: bonds (distance) C4'-P energy: -69.428 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -50.893 flat angles P-C4'-P energy: -39.974 tors. eta vs tors. theta energy: -0.657 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: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -378.445109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.445109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.445109 (E_RNA) where: Base-Base interactions energy: -151.474 where: short stacking energy: -98.364 Base-Backbone interact. energy: -1.619 local terms energy: -225.352408 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -58.303 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -30.148 tors. eta vs tors. theta energy: 3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1300.700010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.700010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.700010 (E_RNA) where: Base-Base interactions energy: -900.343 where: short stacking energy: -370.653 Base-Backbone interact. energy: 0.097 local terms energy: -400.454428 where: bonds (distance) C4'-P energy: -77.052 bonds (distance) P-C4' energy: -78.151 flat angles C4'-P-C4' energy: -87.041 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: -106.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1277.349236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.349236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.349236 (E_RNA) where: Base-Base interactions energy: -868.924 where: short stacking energy: -377.469 Base-Backbone interact. energy: 2.361 local terms energy: -410.787118 where: bonds (distance) C4'-P energy: -73.906 bonds (distance) P-C4' energy: -77.006 flat angles C4'-P-C4' energy: -86.897 flat angles P-C4'-P energy: -62.139 tors. eta vs tors. theta energy: -110.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1222.862159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.862159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.862159 (E_RNA) where: Base-Base interactions energy: -809.684 where: short stacking energy: -356.313 Base-Backbone interact. energy: -0.897 local terms energy: -412.281466 where: bonds (distance) C4'-P energy: -80.700 bonds (distance) P-C4' energy: -77.307 flat angles C4'-P-C4' energy: -73.800 flat angles P-C4'-P energy: -66.922 tors. eta vs tors. theta energy: -113.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1101.270835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.270835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.270835 (E_RNA) where: Base-Base interactions energy: -763.773 where: short stacking energy: -313.578 Base-Backbone interact. energy: 0.412 local terms energy: -337.909222 where: bonds (distance) C4'-P energy: -71.387 bonds (distance) P-C4' energy: -57.968 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -89.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1009.580163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.580163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.580163 (E_RNA) where: Base-Base interactions energy: -667.643 where: short stacking energy: -287.941 Base-Backbone interact. energy: -1.728 local terms energy: -340.209109 where: bonds (distance) C4'-P energy: -74.108 bonds (distance) P-C4' energy: -63.972 flat angles C4'-P-C4' energy: -65.202 flat angles P-C4'-P energy: -52.799 tors. eta vs tors. theta energy: -84.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -726.133969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.133969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.133969 (E_RNA) where: Base-Base interactions energy: -433.522 where: short stacking energy: -207.364 Base-Backbone interact. energy: -2.476 local terms energy: -290.135953 where: bonds (distance) C4'-P energy: -65.143 bonds (distance) P-C4' energy: -71.475 flat angles C4'-P-C4' energy: -75.670 flat angles P-C4'-P energy: -46.020 tors. eta vs tors. theta energy: -31.829 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: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -661.189488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.189488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.189488 (E_RNA) where: Base-Base interactions energy: -374.511 where: short stacking energy: -181.631 Base-Backbone interact. energy: -0.435 local terms energy: -286.243613 where: bonds (distance) C4'-P energy: -53.864 bonds (distance) P-C4' energy: -83.820 flat angles C4'-P-C4' energy: -78.810 flat angles P-C4'-P energy: -48.680 tors. eta vs tors. theta energy: -21.069 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: 264 Temperature: 1.250000 Total energy: -560.661612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.661612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.661612 (E_RNA) where: Base-Base interactions energy: -296.275 where: short stacking energy: -160.224 Base-Backbone interact. energy: -2.982 local terms energy: -261.405393 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -74.528 flat angles C4'-P-C4' energy: -71.343 flat angles P-C4'-P energy: -42.218 tors. eta vs tors. theta energy: -9.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -440.119171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.119171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.119171 (E_RNA) where: Base-Base interactions energy: -226.682 where: short stacking energy: -118.587 Base-Backbone interact. energy: -2.084 local terms energy: -211.352664 where: bonds (distance) C4'-P energy: -60.872 bonds (distance) P-C4' energy: -63.858 flat angles C4'-P-C4' energy: -59.843 flat angles P-C4'-P energy: -31.080 tors. eta vs tors. theta energy: 4.299 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: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -310.586976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.586976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.586976 (E_RNA) where: Base-Base interactions energy: -111.157 where: short stacking energy: -82.221 Base-Backbone interact. energy: 0.907 local terms energy: -200.336913 where: bonds (distance) C4'-P energy: -61.969 bonds (distance) P-C4' energy: -55.306 flat angles C4'-P-C4' energy: -58.591 flat angles P-C4'-P energy: -37.710 tors. eta vs tors. theta energy: 13.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1306.530539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.530539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.530539 (E_RNA) where: Base-Base interactions energy: -891.779 where: short stacking energy: -366.311 Base-Backbone interact. energy: -0.617 local terms energy: -414.134258 where: bonds (distance) C4'-P energy: -75.807 bonds (distance) P-C4' energy: -81.230 flat angles C4'-P-C4' energy: -93.456 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -109.289 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: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1297.392036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.392036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.392036 (E_RNA) where: Base-Base interactions energy: -885.142 where: short stacking energy: -358.360 Base-Backbone interact. energy: -2.612 local terms energy: -409.638380 where: bonds (distance) C4'-P energy: -73.211 bonds (distance) P-C4' energy: -87.945 flat angles C4'-P-C4' energy: -82.164 flat angles P-C4'-P energy: -60.265 tors. eta vs tors. theta energy: -106.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1231.537963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.537963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.537963 (E_RNA) where: Base-Base interactions energy: -850.401 where: short stacking energy: -371.801 Base-Backbone interact. energy: -1.387 local terms energy: -379.749336 where: bonds (distance) C4'-P energy: -62.445 bonds (distance) P-C4' energy: -70.587 flat angles C4'-P-C4' energy: -88.362 flat angles P-C4'-P energy: -44.085 tors. eta vs tors. theta energy: -114.271 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: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1143.113117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.113117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.113117 (E_RNA) where: Base-Base interactions energy: -749.013 where: short stacking energy: -325.892 Base-Backbone interact. energy: -3.015 local terms energy: -391.085356 where: bonds (distance) C4'-P energy: -75.450 bonds (distance) P-C4' energy: -82.896 flat angles C4'-P-C4' energy: -82.470 flat angles P-C4'-P energy: -58.799 tors. eta vs tors. theta energy: -91.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1008.519557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.519557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.519557 (E_RNA) where: Base-Base interactions energy: -671.089 where: short stacking energy: -282.386 Base-Backbone interact. energy: -2.295 local terms energy: -335.136493 where: bonds (distance) C4'-P energy: -62.526 bonds (distance) P-C4' energy: -68.870 flat angles C4'-P-C4' energy: -79.101 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -74.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -747.841660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.841660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.841660 (E_RNA) where: Base-Base interactions energy: -464.197 where: short stacking energy: -230.396 Base-Backbone interact. energy: 3.923 local terms energy: -287.567466 where: bonds (distance) C4'-P energy: -68.305 bonds (distance) P-C4' energy: -64.776 flat angles C4'-P-C4' energy: -65.811 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -44.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -676.782309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.782309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.782309 (E_RNA) where: Base-Base interactions energy: -421.485 where: short stacking energy: -203.973 Base-Backbone interact. energy: -1.762 local terms energy: -253.536196 where: bonds (distance) C4'-P energy: -64.275 bonds (distance) P-C4' energy: -42.449 flat angles C4'-P-C4' energy: -73.670 flat angles P-C4'-P energy: -37.206 tors. eta vs tors. theta energy: -35.937 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: 8, replica: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -539.205561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.205561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.205561 (E_RNA) where: Base-Base interactions energy: -308.916 where: short stacking energy: -142.525 Base-Backbone interact. energy: 0.994 local terms energy: -231.283953 where: bonds (distance) C4'-P energy: -57.050 bonds (distance) P-C4' energy: -75.429 flat angles C4'-P-C4' energy: -60.086 flat angles P-C4'-P energy: -28.831 tors. eta vs tors. theta energy: -9.888 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -521.143198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.143198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.143198 (E_RNA) where: Base-Base interactions energy: -274.486 where: short stacking energy: -168.929 Base-Backbone interact. energy: 4.942 local terms energy: -251.599008 where: bonds (distance) C4'-P energy: -48.583 bonds (distance) P-C4' energy: -67.207 flat angles C4'-P-C4' energy: -72.214 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -24.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -321.950266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.950266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.950266 (E_RNA) where: Base-Base interactions energy: -101.561 where: short stacking energy: -85.225 Base-Backbone interact. energy: -3.268 local terms energy: -217.120817 where: bonds (distance) C4'-P energy: -49.785 bonds (distance) P-C4' energy: -71.739 flat angles C4'-P-C4' energy: -62.668 flat angles P-C4'-P energy: -38.241 tors. eta vs tors. theta energy: 5.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1324.141046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.141046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.141046 (E_RNA) where: Base-Base interactions energy: -892.062 where: short stacking energy: -396.378 Base-Backbone interact. energy: -0.319 local terms energy: -431.760357 where: bonds (distance) C4'-P energy: -76.983 bonds (distance) P-C4' energy: -85.978 flat angles C4'-P-C4' energy: -96.757 flat angles P-C4'-P energy: -61.938 tors. eta vs tors. theta energy: -110.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1299.268814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.268814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.268814 (E_RNA) where: Base-Base interactions energy: -891.095 where: short stacking energy: -346.804 Base-Backbone interact. energy: -1.915 local terms energy: -406.259309 where: bonds (distance) C4'-P energy: -80.359 bonds (distance) P-C4' energy: -84.791 flat angles C4'-P-C4' energy: -85.194 flat angles P-C4'-P energy: -54.537 tors. eta vs tors. theta energy: -101.378 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: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1192.359271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.359271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.359271 (E_RNA) where: Base-Base interactions energy: -793.132 where: short stacking energy: -354.518 Base-Backbone interact. energy: -0.015 local terms energy: -399.211815 where: bonds (distance) C4'-P energy: -75.508 bonds (distance) P-C4' energy: -73.705 flat angles C4'-P-C4' energy: -83.364 flat angles P-C4'-P energy: -56.287 tors. eta vs tors. theta energy: -110.347 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: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1142.428995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.428995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.428995 (E_RNA) where: Base-Base interactions energy: -782.618 where: short stacking energy: -330.659 Base-Backbone interact. energy: -3.389 local terms energy: -356.422175 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -61.053 flat angles C4'-P-C4' energy: -77.836 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -90.206 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: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -994.278359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.278359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.278359 (E_RNA) where: Base-Base interactions energy: -638.302 where: short stacking energy: -286.943 Base-Backbone interact. energy: -2.094 local terms energy: -353.882308 where: bonds (distance) C4'-P energy: -72.862 bonds (distance) P-C4' energy: -63.030 flat angles C4'-P-C4' energy: -72.754 flat angles P-C4'-P energy: -59.199 tors. eta vs tors. theta energy: -86.037 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: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -848.820396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.820396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.820396 (E_RNA) where: Base-Base interactions energy: -549.661 where: short stacking energy: -245.853 Base-Backbone interact. energy: 1.059 local terms energy: -300.218365 where: bonds (distance) C4'-P energy: -70.723 bonds (distance) P-C4' energy: -70.761 flat angles C4'-P-C4' energy: -77.306 flat angles P-C4'-P energy: -33.129 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: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -700.296822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.296822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.296822 (E_RNA) where: Base-Base interactions energy: -414.994 where: short stacking energy: -208.583 Base-Backbone interact. energy: -1.205 local terms energy: -284.098308 where: bonds (distance) C4'-P energy: -67.542 bonds (distance) P-C4' energy: -56.009 flat angles C4'-P-C4' energy: -84.587 flat angles P-C4'-P energy: -31.008 tors. eta vs tors. theta energy: -44.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -520.035893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.035893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.035893 (E_RNA) where: Base-Base interactions energy: -280.064 where: short stacking energy: -134.631 Base-Backbone interact. energy: 0.563 local terms energy: -240.534930 where: bonds (distance) C4'-P energy: -54.494 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -65.464 flat angles P-C4'-P energy: -39.943 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -358.774725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.774725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.774725 (E_RNA) where: Base-Base interactions energy: -125.067 where: short stacking energy: -102.178 Base-Backbone interact. energy: -0.201 local terms energy: -233.506279 where: bonds (distance) C4'-P energy: -63.213 bonds (distance) P-C4' energy: -71.736 flat angles C4'-P-C4' energy: -71.889 flat angles P-C4'-P energy: -42.861 tors. eta vs tors. theta energy: 16.193 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: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -474.439928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.439928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.439928 (E_RNA) where: Base-Base interactions energy: -241.324 where: short stacking energy: -132.260 Base-Backbone interact. energy: 0.443 local terms energy: -233.559481 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -56.184 flat angles P-C4'-P energy: -37.102 tors. eta vs tors. theta energy: -10.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1321.487456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.487456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.487456 (E_RNA) where: Base-Base interactions energy: -901.083 where: short stacking energy: -362.164 Base-Backbone interact. energy: 1.176 local terms energy: -421.581086 where: bonds (distance) C4'-P energy: -87.715 bonds (distance) P-C4' energy: -83.948 flat angles C4'-P-C4' energy: -91.620 flat angles P-C4'-P energy: -51.179 tors. eta vs tors. theta energy: -107.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1307.300852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.300852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.300852 (E_RNA) where: Base-Base interactions energy: -900.328 where: short stacking energy: -366.113 Base-Backbone interact. energy: -3.641 local terms energy: -403.331300 where: bonds (distance) C4'-P energy: -67.516 bonds (distance) P-C4' energy: -77.731 flat angles C4'-P-C4' energy: -95.226 flat angles P-C4'-P energy: -58.309 tors. eta vs tors. theta energy: -104.549 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: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1181.672425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.672425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.672425 (E_RNA) where: Base-Base interactions energy: -767.499 where: short stacking energy: -345.511 Base-Backbone interact. energy: -0.214 local terms energy: -413.959651 where: bonds (distance) C4'-P energy: -82.152 bonds (distance) P-C4' energy: -82.450 flat angles C4'-P-C4' energy: -89.016 flat angles P-C4'-P energy: -54.864 tors. eta vs tors. theta energy: -105.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1141.667509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.667509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.667509 (E_RNA) where: Base-Base interactions energy: -772.418 where: short stacking energy: -323.902 Base-Backbone interact. energy: -0.782 local terms energy: -368.466607 where: bonds (distance) C4'-P energy: -67.221 bonds (distance) P-C4' energy: -80.114 flat angles C4'-P-C4' energy: -89.752 flat angles P-C4'-P energy: -47.809 tors. eta vs tors. theta energy: -83.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1015.713505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.713505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.713505 (E_RNA) where: Base-Base interactions energy: -669.936 where: short stacking energy: -287.744 Base-Backbone interact. energy: -2.099 local terms energy: -343.678065 where: bonds (distance) C4'-P energy: -70.762 bonds (distance) P-C4' energy: -69.798 flat angles C4'-P-C4' energy: -69.791 flat angles P-C4'-P energy: -43.970 tors. eta vs tors. theta energy: -89.357 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: 6, replica: 9 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -807.082062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.082062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.082062 (E_RNA) where: Base-Base interactions energy: -493.095 where: short stacking energy: -224.759 Base-Backbone interact. energy: -1.440 local terms energy: -312.547013 where: bonds (distance) C4'-P energy: -66.949 bonds (distance) P-C4' energy: -71.474 flat angles C4'-P-C4' energy: -75.301 flat angles P-C4'-P energy: -59.402 tors. eta vs tors. theta energy: -39.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -610.023735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.023735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.023735 (E_RNA) where: Base-Base interactions energy: -327.943 where: short stacking energy: -166.056 Base-Backbone interact. energy: -2.392 local terms energy: -279.688931 where: bonds (distance) C4'-P energy: -71.116 bonds (distance) P-C4' energy: -72.315 flat angles C4'-P-C4' energy: -70.500 flat angles P-C4'-P energy: -38.310 tors. eta vs tors. theta energy: -27.448 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: 267 Temperature: 1.250000 Total energy: -534.426695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.426695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.426695 (E_RNA) where: Base-Base interactions energy: -302.160 where: short stacking energy: -159.530 Base-Backbone interact. energy: -1.304 local terms energy: -230.962852 where: bonds (distance) C4'-P energy: -48.595 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -70.819 flat angles P-C4'-P energy: -34.012 tors. eta vs tors. theta energy: -15.644 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: 267 Temperature: 1.300000 Total energy: -359.633741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.633741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.633741 (E_RNA) where: Base-Base interactions energy: -135.330 where: short stacking energy: -121.122 Base-Backbone interact. energy: 0.333 local terms energy: -224.636807 where: bonds (distance) C4'-P energy: -70.711 bonds (distance) P-C4' energy: -67.723 flat angles C4'-P-C4' energy: -64.739 flat angles P-C4'-P energy: -25.639 tors. eta vs tors. theta energy: 4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -445.586544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.586544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.586544 (E_RNA) where: Base-Base interactions energy: -234.966 where: short stacking energy: -124.426 Base-Backbone interact. energy: -0.018 local terms energy: -210.602724 where: bonds (distance) C4'-P energy: -63.904 bonds (distance) P-C4' energy: -66.561 flat angles C4'-P-C4' energy: -59.650 flat angles P-C4'-P energy: -24.786 tors. eta vs tors. theta energy: 4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1300.158370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.158370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.158370 (E_RNA) where: Base-Base interactions energy: -892.016 where: short stacking energy: -359.249 Base-Backbone interact. energy: -1.404 local terms energy: -406.738891 where: bonds (distance) C4'-P energy: -82.310 bonds (distance) P-C4' energy: -77.950 flat angles C4'-P-C4' energy: -83.996 flat angles P-C4'-P energy: -56.164 tors. eta vs tors. theta energy: -106.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1314.316707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.316707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.316707 (E_RNA) where: Base-Base interactions energy: -915.775 where: short stacking energy: -372.569 Base-Backbone interact. energy: -1.337 local terms energy: -397.205008 where: bonds (distance) C4'-P energy: -82.922 bonds (distance) P-C4' energy: -72.753 flat angles C4'-P-C4' energy: -77.282 flat angles P-C4'-P energy: -59.053 tors. eta vs tors. theta energy: -105.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1185.497264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.497264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.497264 (E_RNA) where: Base-Base interactions energy: -794.458 where: short stacking energy: -349.891 Base-Backbone interact. energy: -2.490 local terms energy: -388.549054 where: bonds (distance) C4'-P energy: -76.862 bonds (distance) P-C4' energy: -67.201 flat angles C4'-P-C4' energy: -80.268 flat angles P-C4'-P energy: -59.232 tors. eta vs tors. theta energy: -104.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1084.896134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.896134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.896134 (E_RNA) where: Base-Base interactions energy: -723.973 where: short stacking energy: -300.817 Base-Backbone interact. energy: 0.579 local terms energy: -361.501984 where: bonds (distance) C4'-P energy: -75.266 bonds (distance) P-C4' energy: -70.863 flat angles C4'-P-C4' energy: -79.883 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: -82.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -968.631145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.631145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.631145 (E_RNA) where: Base-Base interactions energy: -614.181 where: short stacking energy: -278.838 Base-Backbone interact. energy: -0.896 local terms energy: -353.554970 where: bonds (distance) C4'-P energy: -57.487 bonds (distance) P-C4' energy: -69.109 flat angles C4'-P-C4' energy: -88.686 flat angles P-C4'-P energy: -49.265 tors. eta vs tors. theta energy: -89.009 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: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -777.937769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.937769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.937769 (E_RNA) where: Base-Base interactions energy: -475.138 where: short stacking energy: -214.906 Base-Backbone interact. energy: 2.066 local terms energy: -304.866376 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -65.274 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -55.012 tors. eta vs tors. theta energy: -43.151 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: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -641.495470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.495470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.495470 (E_RNA) where: Base-Base interactions energy: -342.496 where: short stacking energy: -160.301 Base-Backbone interact. energy: -1.978 local terms energy: -297.020749 where: bonds (distance) C4'-P energy: -75.031 bonds (distance) P-C4' energy: -81.553 flat angles C4'-P-C4' energy: -74.604 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -19.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -541.098883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.098883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.098883 (E_RNA) where: Base-Base interactions energy: -284.893 where: short stacking energy: -163.106 Base-Backbone interact. energy: 0.834 local terms energy: -257.039296 where: bonds (distance) C4'-P energy: -57.698 bonds (distance) P-C4' energy: -73.022 flat angles C4'-P-C4' energy: -70.171 flat angles P-C4'-P energy: -39.381 tors. eta vs tors. theta energy: -16.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -492.768597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.768597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.768597 (E_RNA) where: Base-Base interactions energy: -243.343 where: short stacking energy: -142.410 Base-Backbone interact. energy: -0.660 local terms energy: -248.765342 where: bonds (distance) C4'-P energy: -61.542 bonds (distance) P-C4' energy: -64.988 flat angles C4'-P-C4' energy: -59.564 flat angles P-C4'-P energy: -44.477 tors. eta vs tors. theta energy: -18.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -337.813160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.813160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.813160 (E_RNA) where: Base-Base interactions energy: -130.482 where: short stacking energy: -77.111 Base-Backbone interact. energy: -0.698 local terms energy: -206.633259 where: bonds (distance) C4'-P energy: -65.006 bonds (distance) P-C4' energy: -65.339 flat angles C4'-P-C4' energy: -55.165 flat angles P-C4'-P energy: -34.250 tors. eta vs tors. theta energy: 13.126 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: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1315.054261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.054261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.054261 (E_RNA) where: Base-Base interactions energy: -883.201 where: short stacking energy: -377.297 Base-Backbone interact. energy: -1.337 local terms energy: -430.515558 where: bonds (distance) C4'-P energy: -86.781 bonds (distance) P-C4' energy: -84.513 flat angles C4'-P-C4' energy: -89.580 flat angles P-C4'-P energy: -58.534 tors. eta vs tors. theta energy: -111.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1331.754657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.754657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.754657 (E_RNA) where: Base-Base interactions energy: -910.310 where: short stacking energy: -369.544 Base-Backbone interact. energy: 0.040 local terms energy: -421.484759 where: bonds (distance) C4'-P energy: -75.466 bonds (distance) P-C4' energy: -85.248 flat angles C4'-P-C4' energy: -84.692 flat angles P-C4'-P energy: -65.978 tors. eta vs tors. theta energy: -110.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1183.246705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.246705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.246705 (E_RNA) where: Base-Base interactions energy: -773.745 where: short stacking energy: -355.369 Base-Backbone interact. energy: -1.837 local terms energy: -407.664930 where: bonds (distance) C4'-P energy: -81.893 bonds (distance) P-C4' energy: -77.080 flat angles C4'-P-C4' energy: -87.434 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: -113.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1007.053305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.053305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.053305 (E_RNA) where: Base-Base interactions energy: -663.748 where: short stacking energy: -284.988 Base-Backbone interact. energy: -1.579 local terms energy: -341.726386 where: bonds (distance) C4'-P energy: -61.032 bonds (distance) P-C4' energy: -71.849 flat angles C4'-P-C4' energy: -73.560 flat angles P-C4'-P energy: -51.934 tors. eta vs tors. theta energy: -83.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1069.982076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.982076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.982076 (E_RNA) where: Base-Base interactions energy: -701.005 where: short stacking energy: -326.819 Base-Backbone interact. energy: -1.258 local terms energy: -367.718809 where: bonds (distance) C4'-P energy: -68.166 bonds (distance) P-C4' energy: -75.050 flat angles C4'-P-C4' energy: -77.206 flat angles P-C4'-P energy: -54.793 tors. eta vs tors. theta energy: -92.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -766.867716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.867716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.867716 (E_RNA) where: Base-Base interactions energy: -480.982 where: short stacking energy: -208.700 Base-Backbone interact. energy: -3.686 local terms energy: -282.199914 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -72.670 flat angles C4'-P-C4' energy: -65.838 flat angles P-C4'-P energy: -51.283 tors. eta vs tors. theta energy: -33.287 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: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -674.501500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.501500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.501500 (E_RNA) where: Base-Base interactions energy: -403.896 where: short stacking energy: -211.599 Base-Backbone interact. energy: -2.135 local terms energy: -268.470723 where: bonds (distance) C4'-P energy: -64.390 bonds (distance) P-C4' energy: -63.893 flat angles C4'-P-C4' energy: -74.694 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: -19.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -559.266870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.266870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.266870 (E_RNA) where: Base-Base interactions energy: -281.728 where: short stacking energy: -134.052 Base-Backbone interact. energy: -2.171 local terms energy: -275.368230 where: bonds (distance) C4'-P energy: -69.836 bonds (distance) P-C4' energy: -85.956 flat angles C4'-P-C4' energy: -63.047 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -11.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -521.500674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.500674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.500674 (E_RNA) where: Base-Base interactions energy: -276.700 where: short stacking energy: -159.016 Base-Backbone interact. energy: -1.785 local terms energy: -243.015134 where: bonds (distance) C4'-P energy: -69.965 bonds (distance) P-C4' energy: -69.528 flat angles C4'-P-C4' energy: -56.508 flat angles P-C4'-P energy: -30.574 tors. eta vs tors. theta energy: -16.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -348.264498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.264498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.264498 (E_RNA) where: Base-Base interactions energy: -146.107 where: short stacking energy: -110.338 Base-Backbone interact. energy: 2.774 local terms energy: -204.931116 where: bonds (distance) C4'-P energy: -49.264 bonds (distance) P-C4' energy: -73.727 flat angles C4'-P-C4' energy: -60.889 flat angles P-C4'-P energy: -29.410 tors. eta vs tors. theta energy: 8.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1314.253257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.253257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.253257 (E_RNA) where: Base-Base interactions energy: -903.934 where: short stacking energy: -387.933 Base-Backbone interact. energy: 2.967 local terms energy: -413.286945 where: bonds (distance) C4'-P energy: -75.333 bonds (distance) P-C4' energy: -78.179 flat angles C4'-P-C4' energy: -84.460 flat angles P-C4'-P energy: -63.274 tors. eta vs tors. theta energy: -112.041 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: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1302.330225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.330225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.330225 (E_RNA) where: Base-Base interactions energy: -895.124 where: short stacking energy: -363.263 Base-Backbone interact. energy: -1.214 local terms energy: -405.992975 where: bonds (distance) C4'-P energy: -73.912 bonds (distance) P-C4' energy: -87.840 flat angles C4'-P-C4' energy: -84.307 flat angles P-C4'-P energy: -53.100 tors. eta vs tors. theta energy: -106.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1194.106640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.106640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.106640 (E_RNA) where: Base-Base interactions energy: -800.261 where: short stacking energy: -352.341 Base-Backbone interact. energy: -0.760 local terms energy: -393.084818 where: bonds (distance) C4'-P energy: -79.236 bonds (distance) P-C4' energy: -81.335 flat angles C4'-P-C4' energy: -77.230 flat angles P-C4'-P energy: -46.407 tors. eta vs tors. theta energy: -108.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1060.274995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.274995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.274995 (E_RNA) where: Base-Base interactions energy: -692.626 where: short stacking energy: -309.742 Base-Backbone interact. energy: -2.644 local terms energy: -365.004434 where: bonds (distance) C4'-P energy: -74.239 bonds (distance) P-C4' energy: -72.441 flat angles C4'-P-C4' energy: -75.081 flat angles P-C4'-P energy: -62.199 tors. eta vs tors. theta energy: -81.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1048.126426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.126426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.126426 (E_RNA) where: Base-Base interactions energy: -711.327 where: short stacking energy: -312.906 Base-Backbone interact. energy: -0.099 local terms energy: -336.700297 where: bonds (distance) C4'-P energy: -61.861 bonds (distance) P-C4' energy: -65.493 flat angles C4'-P-C4' energy: -82.228 flat angles P-C4'-P energy: -52.539 tors. eta vs tors. theta energy: -74.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -748.280182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.280182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.280182 (E_RNA) where: Base-Base interactions energy: -468.808 where: short stacking energy: -232.239 Base-Backbone interact. energy: -1.195 local terms energy: -278.277060 where: bonds (distance) C4'-P energy: -54.422 bonds (distance) P-C4' energy: -70.672 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -39.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -651.925397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.925397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.925397 (E_RNA) where: Base-Base interactions energy: -360.551 where: short stacking energy: -172.786 Base-Backbone interact. energy: -2.527 local terms energy: -288.847830 where: bonds (distance) C4'-P energy: -70.738 bonds (distance) P-C4' energy: -79.553 flat angles C4'-P-C4' energy: -69.276 flat angles P-C4'-P energy: -41.788 tors. eta vs tors. theta energy: -27.494 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: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -528.291431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.291431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.291431 (E_RNA) where: Base-Base interactions energy: -288.381 where: short stacking energy: -139.452 Base-Backbone interact. energy: -1.582 local terms energy: -238.328018 where: bonds (distance) C4'-P energy: -55.490 bonds (distance) P-C4' energy: -70.648 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -40.080 tors. eta vs tors. theta energy: -1.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -484.800983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.800983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.800983 (E_RNA) where: Base-Base interactions energy: -243.383 where: short stacking energy: -120.418 Base-Backbone interact. energy: 0.199 local terms energy: -241.617934 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -64.937 flat angles C4'-P-C4' energy: -54.486 flat angles P-C4'-P energy: -47.176 tors. eta vs tors. theta energy: -16.797 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: 10, replica: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -347.689986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.689986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.689986 (E_RNA) where: Base-Base interactions energy: -165.604 where: short stacking energy: -129.921 Base-Backbone interact. energy: 3.526 local terms energy: -185.611860 where: bonds (distance) C4'-P energy: -58.368 bonds (distance) P-C4' energy: -63.107 flat angles C4'-P-C4' energy: -37.548 flat angles P-C4'-P energy: -39.543 tors. eta vs tors. theta energy: 12.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1303.223331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.223331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.223331 (E_RNA) where: Base-Base interactions energy: -887.767 where: short stacking energy: -365.810 Base-Backbone interact. energy: 0.266 local terms energy: -415.721606 where: bonds (distance) C4'-P energy: -83.348 bonds (distance) P-C4' energy: -82.240 flat angles C4'-P-C4' energy: -88.343 flat angles P-C4'-P energy: -52.505 tors. eta vs tors. theta energy: -109.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1292.956843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.956843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.956843 (E_RNA) where: Base-Base interactions energy: -874.490 where: short stacking energy: -356.188 Base-Backbone interact. energy: -2.079 local terms energy: -416.387528 where: bonds (distance) C4'-P energy: -83.289 bonds (distance) P-C4' energy: -77.423 flat angles C4'-P-C4' energy: -91.278 flat angles P-C4'-P energy: -52.781 tors. eta vs tors. theta energy: -111.616 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: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1207.178497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.178497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.178497 (E_RNA) where: Base-Base interactions energy: -804.820 where: short stacking energy: -360.447 Base-Backbone interact. energy: -1.300 local terms energy: -401.058119 where: bonds (distance) C4'-P energy: -62.007 bonds (distance) P-C4' energy: -78.090 flat angles C4'-P-C4' energy: -84.753 flat angles P-C4'-P energy: -62.227 tors. eta vs tors. theta energy: -113.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1074.028226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.028226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.028226 (E_RNA) where: Base-Base interactions energy: -692.149 where: short stacking energy: -307.141 Base-Backbone interact. energy: -1.121 local terms energy: -380.758287 where: bonds (distance) C4'-P energy: -77.320 bonds (distance) P-C4' energy: -75.162 flat angles C4'-P-C4' energy: -83.609 flat angles P-C4'-P energy: -54.645 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: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1081.895749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.895749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.895749 (E_RNA) where: Base-Base interactions energy: -733.757 where: short stacking energy: -321.505 Base-Backbone interact. energy: -0.612 local terms energy: -347.526660 where: bonds (distance) C4'-P energy: -55.893 bonds (distance) P-C4' energy: -70.430 flat angles C4'-P-C4' energy: -80.137 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: -89.588 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: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -805.214988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.214988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.214988 (E_RNA) where: Base-Base interactions energy: -496.772 where: short stacking energy: -234.472 Base-Backbone interact. energy: -1.044 local terms energy: -307.398537 where: bonds (distance) C4'-P energy: -75.256 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -65.153 flat angles P-C4'-P energy: -39.775 tors. eta vs tors. theta energy: -50.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -630.210919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.210919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.210919 (E_RNA) where: Base-Base interactions energy: -367.622 where: short stacking energy: -186.013 Base-Backbone interact. energy: -1.722 local terms energy: -260.866665 where: bonds (distance) C4'-P energy: -62.412 bonds (distance) P-C4' energy: -76.036 flat angles C4'-P-C4' energy: -61.862 flat angles P-C4'-P energy: -38.758 tors. eta vs tors. theta energy: -21.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -539.352469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.352469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.352469 (E_RNA) where: Base-Base interactions energy: -286.501 where: short stacking energy: -134.730 Base-Backbone interact. energy: 3.210 local terms energy: -256.061152 where: bonds (distance) C4'-P energy: -55.620 bonds (distance) P-C4' energy: -69.452 flat angles C4'-P-C4' energy: -59.346 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -20.694 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: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -477.022872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.022872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.022872 (E_RNA) where: Base-Base interactions energy: -239.805 where: short stacking energy: -116.168 Base-Backbone interact. energy: 1.700 local terms energy: -238.917253 where: bonds (distance) C4'-P energy: -69.288 bonds (distance) P-C4' energy: -58.970 flat angles C4'-P-C4' energy: -57.552 flat angles P-C4'-P energy: -42.458 tors. eta vs tors. theta energy: -10.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -379.020040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.020040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.020040 (E_RNA) where: Base-Base interactions energy: -155.154 where: short stacking energy: -108.477 Base-Backbone interact. energy: -0.696 local terms energy: -223.170177 where: bonds (distance) C4'-P energy: -51.725 bonds (distance) P-C4' energy: -67.835 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -38.194 tors. eta vs tors. theta energy: 1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1318.179424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.179424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.179424 (E_RNA) where: Base-Base interactions energy: -919.437 where: short stacking energy: -381.100 Base-Backbone interact. energy: 8.556 local terms energy: -407.298479 where: bonds (distance) C4'-P energy: -76.356 bonds (distance) P-C4' energy: -87.554 flat angles C4'-P-C4' energy: -87.237 flat angles P-C4'-P energy: -51.174 tors. eta vs tors. theta energy: -104.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1286.570665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.570665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.570665 (E_RNA) where: Base-Base interactions energy: -893.430 where: short stacking energy: -371.567 Base-Backbone interact. energy: 1.048 local terms energy: -394.188969 where: bonds (distance) C4'-P energy: -76.655 bonds (distance) P-C4' energy: -73.458 flat angles C4'-P-C4' energy: -74.619 flat angles P-C4'-P energy: -68.198 tors. eta vs tors. theta energy: -101.258 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: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1192.493421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.493421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.493421 (E_RNA) where: Base-Base interactions energy: -779.895 where: short stacking energy: -343.754 Base-Backbone interact. energy: -1.246 local terms energy: -411.352647 where: bonds (distance) C4'-P energy: -70.017 bonds (distance) P-C4' energy: -90.261 flat angles C4'-P-C4' energy: -85.677 flat angles P-C4'-P energy: -63.678 tors. eta vs tors. theta energy: -101.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1075.702242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.702242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.702242 (E_RNA) where: Base-Base interactions energy: -722.100 where: short stacking energy: -296.232 Base-Backbone interact. energy: -1.306 local terms energy: -352.296140 where: bonds (distance) C4'-P energy: -70.219 bonds (distance) P-C4' energy: -70.667 flat angles C4'-P-C4' energy: -62.364 flat angles P-C4'-P energy: -58.326 tors. eta vs tors. theta energy: -90.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1057.488530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.488530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.488530 (E_RNA) where: Base-Base interactions energy: -722.155 where: short stacking energy: -307.958 Base-Backbone interact. energy: -0.844 local terms energy: -334.489032 where: bonds (distance) C4'-P energy: -60.379 bonds (distance) P-C4' energy: -63.411 flat angles C4'-P-C4' energy: -82.162 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: -86.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -825.666245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.666245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.666245 (E_RNA) where: Base-Base interactions energy: -517.642 where: short stacking energy: -229.622 Base-Backbone interact. energy: -1.316 local terms energy: -306.708047 where: bonds (distance) C4'-P energy: -69.831 bonds (distance) P-C4' energy: -79.627 flat angles C4'-P-C4' energy: -72.045 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -43.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -640.313302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.313302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.313302 (E_RNA) where: Base-Base interactions energy: -368.602 where: short stacking energy: -164.170 Base-Backbone interact. energy: -1.687 local terms energy: -270.024470 where: bonds (distance) C4'-P energy: -77.580 bonds (distance) P-C4' energy: -62.226 flat angles C4'-P-C4' energy: -63.302 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: -20.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -528.742047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.742047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.742047 (E_RNA) where: Base-Base interactions energy: -297.584 where: short stacking energy: -133.989 Base-Backbone interact. energy: 0.834 local terms energy: -231.992155 where: bonds (distance) C4'-P energy: -60.038 bonds (distance) P-C4' energy: -76.787 flat angles C4'-P-C4' energy: -53.083 flat angles P-C4'-P energy: -33.578 tors. eta vs tors. theta energy: -8.507 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: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -464.586763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.586763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.586763 (E_RNA) where: Base-Base interactions energy: -226.866 where: short stacking energy: -118.234 Base-Backbone interact. energy: 0.984 local terms energy: -238.705464 where: bonds (distance) C4'-P energy: -68.959 bonds (distance) P-C4' energy: -67.246 flat angles C4'-P-C4' energy: -46.282 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: -13.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -318.302035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.302035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.302035 (E_RNA) where: Base-Base interactions energy: -135.860 where: short stacking energy: -80.569 Base-Backbone interact. energy: -2.478 local terms energy: -179.963385 where: bonds (distance) C4'-P energy: -61.527 bonds (distance) P-C4' energy: -66.450 flat angles C4'-P-C4' energy: -41.849 flat angles P-C4'-P energy: -24.170 tors. eta vs tors. theta energy: 14.032 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: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1331.259950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.259950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.259950 (E_RNA) where: Base-Base interactions energy: -927.470 where: short stacking energy: -376.193 Base-Backbone interact. energy: -1.111 local terms energy: -402.679011 where: bonds (distance) C4'-P energy: -66.317 bonds (distance) P-C4' energy: -75.976 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -65.285 tors. eta vs tors. theta energy: -107.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1265.180560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.180560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.180560 (E_RNA) where: Base-Base interactions energy: -852.512 where: short stacking energy: -364.042 Base-Backbone interact. energy: 1.227 local terms energy: -413.895990 where: bonds (distance) C4'-P energy: -73.654 bonds (distance) P-C4' energy: -79.971 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -59.972 tors. eta vs tors. theta energy: -109.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1200.163190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.163190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.163190 (E_RNA) where: Base-Base interactions energy: -792.823 where: short stacking energy: -349.948 Base-Backbone interact. energy: -3.081 local terms energy: -404.258266 where: bonds (distance) C4'-P energy: -82.851 bonds (distance) P-C4' energy: -77.605 flat angles C4'-P-C4' energy: -75.956 flat angles P-C4'-P energy: -53.470 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: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1062.244806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.244806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.244806 (E_RNA) where: Base-Base interactions energy: -701.253 where: short stacking energy: -299.456 Base-Backbone interact. energy: -3.722 local terms energy: -357.269632 where: bonds (distance) C4'-P energy: -71.536 bonds (distance) P-C4' energy: -83.291 flat angles C4'-P-C4' energy: -72.182 flat angles P-C4'-P energy: -44.370 tors. eta vs tors. theta energy: -85.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1087.799022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.799022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.799022 (E_RNA) where: Base-Base interactions energy: -745.289 where: short stacking energy: -316.787 Base-Backbone interact. energy: -1.004 local terms energy: -341.505970 where: bonds (distance) C4'-P energy: -69.463 bonds (distance) P-C4' energy: -62.623 flat angles C4'-P-C4' energy: -67.668 flat angles P-C4'-P energy: -45.435 tors. eta vs tors. theta energy: -96.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -795.494840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.494840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.494840 (E_RNA) where: Base-Base interactions energy: -484.640 where: short stacking energy: -239.968 Base-Backbone interact. energy: 0.547 local terms energy: -311.401408 where: bonds (distance) C4'-P energy: -71.628 bonds (distance) P-C4' energy: -77.000 flat angles C4'-P-C4' energy: -72.129 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -48.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -682.457788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.457788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.457788 (E_RNA) where: Base-Base interactions energy: -390.412 where: short stacking energy: -199.582 Base-Backbone interact. energy: -1.989 local terms energy: -290.056368 where: bonds (distance) C4'-P energy: -73.608 bonds (distance) P-C4' energy: -71.151 flat angles C4'-P-C4' energy: -69.150 flat angles P-C4'-P energy: -43.411 tors. eta vs tors. theta energy: -32.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -532.338527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.338527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.338527 (E_RNA) where: Base-Base interactions energy: -267.845 where: short stacking energy: -131.604 Base-Backbone interact. energy: -1.907 local terms energy: -262.586532 where: bonds (distance) C4'-P energy: -67.145 bonds (distance) P-C4' energy: -76.570 flat angles C4'-P-C4' energy: -57.403 flat angles P-C4'-P energy: -50.326 tors. eta vs tors. theta energy: -11.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -482.369179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.369179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.369179 (E_RNA) where: Base-Base interactions energy: -251.315 where: short stacking energy: -132.526 Base-Backbone interact. energy: -0.450 local terms energy: -230.604498 where: bonds (distance) C4'-P energy: -72.546 bonds (distance) P-C4' energy: -78.903 flat angles C4'-P-C4' energy: -47.276 flat angles P-C4'-P energy: -29.777 tors. eta vs tors. theta energy: -2.103 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: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -317.331660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.331660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.331660 (E_RNA) where: Base-Base interactions energy: -113.358 where: short stacking energy: -87.132 Base-Backbone interact. energy: -0.024 local terms energy: -203.949494 where: bonds (distance) C4'-P energy: -66.793 bonds (distance) P-C4' energy: -70.176 flat angles C4'-P-C4' energy: -57.182 flat angles P-C4'-P energy: -40.185 tors. eta vs tors. theta energy: 30.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1361.350360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.350360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.350360 (E_RNA) where: Base-Base interactions energy: -930.531 where: short stacking energy: -390.697 Base-Backbone interact. energy: -2.966 local terms energy: -427.853381 where: bonds (distance) C4'-P energy: -78.244 bonds (distance) P-C4' energy: -82.497 flat angles C4'-P-C4' energy: -91.514 flat angles P-C4'-P energy: -59.421 tors. eta vs tors. theta energy: -116.176 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: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1254.166317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.166317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.166317 (E_RNA) where: Base-Base interactions energy: -859.131 where: short stacking energy: -351.784 Base-Backbone interact. energy: -3.072 local terms energy: -391.963758 where: bonds (distance) C4'-P energy: -76.587 bonds (distance) P-C4' energy: -79.848 flat angles C4'-P-C4' energy: -77.875 flat angles P-C4'-P energy: -53.925 tors. eta vs tors. theta energy: -103.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1237.147208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.147208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.147208 (E_RNA) where: Base-Base interactions energy: -820.303 where: short stacking energy: -362.982 Base-Backbone interact. energy: -2.908 local terms energy: -413.936259 where: bonds (distance) C4'-P energy: -69.353 bonds (distance) P-C4' energy: -72.316 flat angles C4'-P-C4' energy: -97.056 flat angles P-C4'-P energy: -53.900 tors. eta vs tors. theta energy: -121.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1063.003020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.003020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.003020 (E_RNA) where: Base-Base interactions energy: -701.413 where: short stacking energy: -311.285 Base-Backbone interact. energy: -1.342 local terms energy: -360.248281 where: bonds (distance) C4'-P energy: -74.353 bonds (distance) P-C4' energy: -65.231 flat angles C4'-P-C4' energy: -85.987 flat angles P-C4'-P energy: -54.841 tors. eta vs tors. theta energy: -79.836 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: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1082.666903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.666903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.666903 (E_RNA) where: Base-Base interactions energy: -726.991 where: short stacking energy: -296.485 Base-Backbone interact. energy: -1.594 local terms energy: -354.081954 where: bonds (distance) C4'-P energy: -65.967 bonds (distance) P-C4' energy: -73.513 flat angles C4'-P-C4' energy: -87.318 flat angles P-C4'-P energy: -51.761 tors. eta vs tors. theta energy: -75.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -852.339141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.339141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.339141 (E_RNA) where: Base-Base interactions energy: -569.488 where: short stacking energy: -251.882 Base-Backbone interact. energy: 0.226 local terms energy: -283.077045 where: bonds (distance) C4'-P energy: -54.445 bonds (distance) P-C4' energy: -60.184 flat angles C4'-P-C4' energy: -65.589 flat angles P-C4'-P energy: -57.222 tors. eta vs tors. theta energy: -45.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -657.072228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.072228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.072228 (E_RNA) where: Base-Base interactions energy: -387.278 where: short stacking energy: -181.573 Base-Backbone interact. energy: -1.736 local terms energy: -268.058245 where: bonds (distance) C4'-P energy: -52.974 bonds (distance) P-C4' energy: -73.672 flat angles C4'-P-C4' energy: -69.258 flat angles P-C4'-P energy: -35.064 tors. eta vs tors. theta energy: -37.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -528.712300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.712300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.712300 (E_RNA) where: Base-Base interactions energy: -273.789 where: short stacking energy: -136.554 Base-Backbone interact. energy: -1.502 local terms energy: -253.421511 where: bonds (distance) C4'-P energy: -67.244 bonds (distance) P-C4' energy: -71.443 flat angles C4'-P-C4' energy: -65.888 flat angles P-C4'-P energy: -31.231 tors. eta vs tors. theta energy: -17.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -528.905441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.905441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.905441 (E_RNA) where: Base-Base interactions energy: -269.498 where: short stacking energy: -149.206 Base-Backbone interact. energy: -4.757 local terms energy: -254.651296 where: bonds (distance) C4'-P energy: -67.729 bonds (distance) P-C4' energy: -68.978 flat angles C4'-P-C4' energy: -54.799 flat angles P-C4'-P energy: -41.641 tors. eta vs tors. theta energy: -21.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -327.288829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.288829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.288829 (E_RNA) where: Base-Base interactions energy: -129.612 where: short stacking energy: -117.053 Base-Backbone interact. energy: 3.317 local terms energy: -200.993264 where: bonds (distance) C4'-P energy: -60.591 bonds (distance) P-C4' energy: -60.287 flat angles C4'-P-C4' energy: -53.686 flat angles P-C4'-P energy: -29.465 tors. eta vs tors. theta energy: 3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1352.815877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.815877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.815877 (E_RNA) where: Base-Base interactions energy: -924.245 where: short stacking energy: -386.908 Base-Backbone interact. energy: -0.488 local terms energy: -428.082674 where: bonds (distance) C4'-P energy: -77.035 bonds (distance) P-C4' energy: -82.020 flat angles C4'-P-C4' energy: -93.389 flat angles P-C4'-P energy: -57.052 tors. eta vs tors. theta energy: -118.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1270.864961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.864961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.864961 (E_RNA) where: Base-Base interactions energy: -877.614 where: short stacking energy: -354.666 Base-Backbone interact. energy: 1.889 local terms energy: -395.140579 where: bonds (distance) C4'-P energy: -70.974 bonds (distance) P-C4' energy: -86.081 flat angles C4'-P-C4' energy: -84.196 flat angles P-C4'-P energy: -57.296 tors. eta vs tors. theta energy: -96.593 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: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1205.257353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.257353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.257353 (E_RNA) where: Base-Base interactions energy: -788.554 where: short stacking energy: -351.384 Base-Backbone interact. energy: -0.641 local terms energy: -416.061582 where: bonds (distance) C4'-P energy: -71.959 bonds (distance) P-C4' energy: -79.174 flat angles C4'-P-C4' energy: -91.421 flat angles P-C4'-P energy: -59.794 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: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1158.359528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.359528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.359528 (E_RNA) where: Base-Base interactions energy: -781.013 where: short stacking energy: -328.355 Base-Backbone interact. energy: 1.987 local terms energy: -379.334160 where: bonds (distance) C4'-P energy: -71.690 bonds (distance) P-C4' energy: -81.224 flat angles C4'-P-C4' energy: -78.559 flat angles P-C4'-P energy: -62.211 tors. eta vs tors. theta energy: -85.651 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: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1035.584820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.584820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.584820 (E_RNA) where: Base-Base interactions energy: -699.401 where: short stacking energy: -299.975 Base-Backbone interact. energy: -1.939 local terms energy: -334.244619 where: bonds (distance) C4'-P energy: -69.839 bonds (distance) P-C4' energy: -48.649 flat angles C4'-P-C4' energy: -76.682 flat angles P-C4'-P energy: -50.699 tors. eta vs tors. theta energy: -88.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -818.242110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.242110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.242110 (E_RNA) where: Base-Base interactions energy: -520.036 where: short stacking energy: -228.588 Base-Backbone interact. energy: -2.249 local terms energy: -295.956821 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -69.019 flat angles C4'-P-C4' energy: -72.224 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -40.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -633.619092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.619092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.619092 (E_RNA) where: Base-Base interactions energy: -365.374 where: short stacking energy: -185.553 Base-Backbone interact. energy: 3.485 local terms energy: -271.730154 where: bonds (distance) C4'-P energy: -57.541 bonds (distance) P-C4' energy: -80.204 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -34.015 tors. eta vs tors. theta energy: -33.294 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: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -573.979374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.979374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.979374 (E_RNA) where: Base-Base interactions energy: -312.816 where: short stacking energy: -160.062 Base-Backbone interact. energy: -1.821 local terms energy: -259.342580 where: bonds (distance) C4'-P energy: -54.180 bonds (distance) P-C4' energy: -75.273 flat angles C4'-P-C4' energy: -77.185 flat angles P-C4'-P energy: -30.638 tors. eta vs tors. theta energy: -22.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -540.103486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.103486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.103486 (E_RNA) where: Base-Base interactions energy: -294.363 where: short stacking energy: -162.198 Base-Backbone interact. energy: -1.237 local terms energy: -244.503261 where: bonds (distance) C4'-P energy: -61.275 bonds (distance) P-C4' energy: -63.082 flat angles C4'-P-C4' energy: -74.261 flat angles P-C4'-P energy: -29.697 tors. eta vs tors. theta energy: -16.188 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: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -307.656580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.656580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.656580 (E_RNA) where: Base-Base interactions energy: -115.174 where: short stacking energy: -99.126 Base-Backbone interact. energy: 2.032 local terms energy: -194.514156 where: bonds (distance) C4'-P energy: -59.100 bonds (distance) P-C4' energy: -58.156 flat angles C4'-P-C4' energy: -47.322 flat angles P-C4'-P energy: -37.635 tors. eta vs tors. theta energy: 7.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1336.020902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.020902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.020902 (E_RNA) where: Base-Base interactions energy: -911.861 where: short stacking energy: -376.108 Base-Backbone interact. energy: -1.816 local terms energy: -422.344058 where: bonds (distance) C4'-P energy: -81.419 bonds (distance) P-C4' energy: -86.380 flat angles C4'-P-C4' energy: -85.281 flat angles P-C4'-P energy: -53.997 tors. eta vs tors. theta energy: -115.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1305.440777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.440777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.440777 (E_RNA) where: Base-Base interactions energy: -890.046 where: short stacking energy: -350.837 Base-Backbone interact. energy: -3.119 local terms energy: -412.276001 where: bonds (distance) C4'-P energy: -78.412 bonds (distance) P-C4' energy: -77.864 flat angles C4'-P-C4' energy: -94.600 flat angles P-C4'-P energy: -60.005 tors. eta vs tors. theta energy: -101.396 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: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1198.062386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.062386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.062386 (E_RNA) where: Base-Base interactions energy: -808.407 where: short stacking energy: -367.873 Base-Backbone interact. energy: -1.116 local terms energy: -388.539261 where: bonds (distance) C4'-P energy: -73.242 bonds (distance) P-C4' energy: -71.707 flat angles C4'-P-C4' energy: -80.726 flat angles P-C4'-P energy: -44.225 tors. eta vs tors. theta energy: -118.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1168.668428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.668428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.668428 (E_RNA) where: Base-Base interactions energy: -783.327 where: short stacking energy: -314.245 Base-Backbone interact. energy: 0.047 local terms energy: -385.388140 where: bonds (distance) C4'-P energy: -81.700 bonds (distance) P-C4' energy: -73.670 flat angles C4'-P-C4' energy: -79.770 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: -97.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1037.361107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.361107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.361107 (E_RNA) where: Base-Base interactions energy: -678.803 where: short stacking energy: -285.495 Base-Backbone interact. energy: -1.918 local terms energy: -356.639974 where: bonds (distance) C4'-P energy: -67.438 bonds (distance) P-C4' energy: -67.702 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -61.038 tors. eta vs tors. theta energy: -88.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -788.328974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.328974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.328974 (E_RNA) where: Base-Base interactions energy: -462.923 where: short stacking energy: -219.425 Base-Backbone interact. energy: 3.326 local terms energy: -328.731900 where: bonds (distance) C4'-P energy: -72.703 bonds (distance) P-C4' energy: -79.278 flat angles C4'-P-C4' energy: -83.996 flat angles P-C4'-P energy: -48.019 tors. eta vs tors. theta energy: -44.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -633.261404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.261404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.261404 (E_RNA) where: Base-Base interactions energy: -360.492 where: short stacking energy: -150.518 Base-Backbone interact. energy: -1.235 local terms energy: -271.535012 where: bonds (distance) C4'-P energy: -66.078 bonds (distance) P-C4' energy: -79.862 flat angles C4'-P-C4' energy: -80.926 flat angles P-C4'-P energy: -27.906 tors. eta vs tors. theta energy: -16.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -601.524538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.524538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.524538 (E_RNA) where: Base-Base interactions energy: -341.930 where: short stacking energy: -161.686 Base-Backbone interact. energy: -3.651 local terms energy: -255.944199 where: bonds (distance) C4'-P energy: -76.460 bonds (distance) P-C4' energy: -71.231 flat angles C4'-P-C4' energy: -53.709 flat angles P-C4'-P energy: -39.086 tors. eta vs tors. theta energy: -15.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -325.418591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.418591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.418591 (E_RNA) where: Base-Base interactions energy: -107.364 where: short stacking energy: -82.884 Base-Backbone interact. energy: 5.424 local terms energy: -223.478816 where: bonds (distance) C4'-P energy: -73.296 bonds (distance) P-C4' energy: -66.979 flat angles C4'-P-C4' energy: -62.755 flat angles P-C4'-P energy: -36.657 tors. eta vs tors. theta energy: 16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -463.388242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.388242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.388242 (E_RNA) where: Base-Base interactions energy: -219.644 where: short stacking energy: -112.319 Base-Backbone interact. energy: -0.051 local terms energy: -243.693444 where: bonds (distance) C4'-P energy: -63.419 bonds (distance) P-C4' energy: -71.987 flat angles C4'-P-C4' energy: -68.265 flat angles P-C4'-P energy: -45.661 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: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1326.649548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.649548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.649548 (E_RNA) where: Base-Base interactions energy: -913.921 where: short stacking energy: -380.503 Base-Backbone interact. energy: 0.530 local terms energy: -413.259152 where: bonds (distance) C4'-P energy: -74.744 bonds (distance) P-C4' energy: -78.952 flat angles C4'-P-C4' energy: -89.980 flat angles P-C4'-P energy: -57.418 tors. eta vs tors. theta energy: -112.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1287.897678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.897678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.897678 (E_RNA) where: Base-Base interactions energy: -875.998 where: short stacking energy: -356.600 Base-Backbone interact. energy: -1.177 local terms energy: -410.722857 where: bonds (distance) C4'-P energy: -79.044 bonds (distance) P-C4' energy: -66.862 flat angles C4'-P-C4' energy: -88.899 flat angles P-C4'-P energy: -67.475 tors. eta vs tors. theta energy: -108.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1194.926192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.926192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.926192 (E_RNA) where: Base-Base interactions energy: -790.536 where: short stacking energy: -354.259 Base-Backbone interact. energy: 0.618 local terms energy: -405.008960 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -87.478 flat angles P-C4'-P energy: -62.556 tors. eta vs tors. theta energy: -110.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1140.105062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.105062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.105062 (E_RNA) where: Base-Base interactions energy: -760.830 where: short stacking energy: -322.212 Base-Backbone interact. energy: 1.095 local terms energy: -380.369873 where: bonds (distance) C4'-P energy: -76.279 bonds (distance) P-C4' energy: -75.604 flat angles C4'-P-C4' energy: -79.561 flat angles P-C4'-P energy: -48.251 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: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1016.282809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.282809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.282809 (E_RNA) where: Base-Base interactions energy: -672.864 where: short stacking energy: -291.628 Base-Backbone interact. energy: -1.783 local terms energy: -341.636485 where: bonds (distance) C4'-P energy: -66.751 bonds (distance) P-C4' energy: -53.491 flat angles C4'-P-C4' energy: -73.515 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -88.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -775.909620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.909620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.909620 (E_RNA) where: Base-Base interactions energy: -468.041 where: short stacking energy: -199.578 Base-Backbone interact. energy: 0.445 local terms energy: -308.313519 where: bonds (distance) C4'-P energy: -70.011 bonds (distance) P-C4' energy: -74.913 flat angles C4'-P-C4' energy: -81.085 flat angles P-C4'-P energy: -34.072 tors. eta vs tors. theta energy: -48.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -631.191035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.191035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.191035 (E_RNA) where: Base-Base interactions energy: -367.099 where: short stacking energy: -182.135 Base-Backbone interact. energy: -0.973 local terms energy: -263.119409 where: bonds (distance) C4'-P energy: -73.804 bonds (distance) P-C4' energy: -67.330 flat angles C4'-P-C4' energy: -60.206 flat angles P-C4'-P energy: -28.179 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: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -536.917965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.917965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.917965 (E_RNA) where: Base-Base interactions energy: -277.512 where: short stacking energy: -153.911 Base-Backbone interact. energy: 0.131 local terms energy: -259.536373 where: bonds (distance) C4'-P energy: -66.054 bonds (distance) P-C4' energy: -80.353 flat angles C4'-P-C4' energy: -69.733 flat angles P-C4'-P energy: -37.663 tors. eta vs tors. theta energy: -5.733 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: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -366.418248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.418248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.418248 (E_RNA) where: Base-Base interactions energy: -163.849 where: short stacking energy: -90.186 Base-Backbone interact. energy: 0.396 local terms energy: -202.965144 where: bonds (distance) C4'-P energy: -54.050 bonds (distance) P-C4' energy: -69.337 flat angles C4'-P-C4' energy: -63.061 flat angles P-C4'-P energy: -36.398 tors. eta vs tors. theta energy: 19.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -425.148479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.148479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.148479 (E_RNA) where: Base-Base interactions energy: -218.224 where: short stacking energy: -126.827 Base-Backbone interact. energy: -3.357 local terms energy: -203.567048 where: bonds (distance) C4'-P energy: -51.150 bonds (distance) P-C4' energy: -58.412 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -28.190 tors. eta vs tors. theta energy: 1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1317.858739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.858739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.858739 (E_RNA) where: Base-Base interactions energy: -901.661 where: short stacking energy: -376.888 Base-Backbone interact. energy: -2.530 local terms energy: -413.667476 where: bonds (distance) C4'-P energy: -69.158 bonds (distance) P-C4' energy: -79.510 flat angles C4'-P-C4' energy: -82.385 flat angles P-C4'-P energy: -66.624 tors. eta vs tors. theta energy: -115.991 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: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1276.466632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.466632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.466632 (E_RNA) where: Base-Base interactions energy: -872.236 where: short stacking energy: -375.902 Base-Backbone interact. energy: -1.924 local terms energy: -402.307064 where: bonds (distance) C4'-P energy: -80.603 bonds (distance) P-C4' energy: -77.342 flat angles C4'-P-C4' energy: -84.036 flat angles P-C4'-P energy: -55.393 tors. eta vs tors. theta energy: -104.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1192.957406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.957406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.957406 (E_RNA) where: Base-Base interactions energy: -789.964 where: short stacking energy: -361.290 Base-Backbone interact. energy: -2.433 local terms energy: -400.560139 where: bonds (distance) C4'-P energy: -78.397 bonds (distance) P-C4' energy: -76.972 flat angles C4'-P-C4' energy: -84.368 flat angles P-C4'-P energy: -44.584 tors. eta vs tors. theta energy: -116.239 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: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1151.717617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.717617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.717617 (E_RNA) where: Base-Base interactions energy: -783.526 where: short stacking energy: -332.085 Base-Backbone interact. energy: 1.224 local terms energy: -369.415515 where: bonds (distance) C4'-P energy: -72.125 bonds (distance) P-C4' energy: -69.579 flat angles C4'-P-C4' energy: -72.238 flat angles P-C4'-P energy: -53.198 tors. eta vs tors. theta energy: -102.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1011.585927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.585927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.585927 (E_RNA) where: Base-Base interactions energy: -680.513 where: short stacking energy: -299.046 Base-Backbone interact. energy: 0.127 local terms energy: -331.200718 where: bonds (distance) C4'-P energy: -64.409 bonds (distance) P-C4' energy: -65.449 flat angles C4'-P-C4' energy: -70.745 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: -77.533 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: 9 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -779.331387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.331387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.331387 (E_RNA) where: Base-Base interactions energy: -447.997 where: short stacking energy: -211.004 Base-Backbone interact. energy: -1.160 local terms energy: -330.174274 where: bonds (distance) C4'-P energy: -82.291 bonds (distance) P-C4' energy: -61.519 flat angles C4'-P-C4' energy: -87.759 flat angles P-C4'-P energy: -54.124 tors. eta vs tors. theta energy: -44.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -589.237025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.237025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.237025 (E_RNA) where: Base-Base interactions energy: -336.878 where: short stacking energy: -179.240 Base-Backbone interact. energy: -1.518 local terms energy: -250.841530 where: bonds (distance) C4'-P energy: -70.367 bonds (distance) P-C4' energy: -56.271 flat angles C4'-P-C4' energy: -64.837 flat angles P-C4'-P energy: -37.588 tors. eta vs tors. theta energy: -21.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -553.780699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.780699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.780699 (E_RNA) where: Base-Base interactions energy: -294.003 where: short stacking energy: -159.222 Base-Backbone interact. energy: 0.233 local terms energy: -260.011015 where: bonds (distance) C4'-P energy: -65.369 bonds (distance) P-C4' energy: -61.388 flat angles C4'-P-C4' energy: -71.939 flat angles P-C4'-P energy: -40.236 tors. eta vs tors. theta energy: -21.079 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: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -453.182950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.182950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.182950 (E_RNA) where: Base-Base interactions energy: -227.540 where: short stacking energy: -132.128 Base-Backbone interact. energy: -1.007 local terms energy: -224.635185 where: bonds (distance) C4'-P energy: -52.504 bonds (distance) P-C4' energy: -56.634 flat angles C4'-P-C4' energy: -64.332 flat angles P-C4'-P energy: -40.643 tors. eta vs tors. theta energy: -10.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -321.917241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.917241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.917241 (E_RNA) where: Base-Base interactions energy: -109.104 where: short stacking energy: -81.015 Base-Backbone interact. energy: -1.567 local terms energy: -211.245348 where: bonds (distance) C4'-P energy: -60.373 bonds (distance) P-C4' energy: -78.372 flat angles C4'-P-C4' energy: -60.923 flat angles P-C4'-P energy: -27.817 tors. eta vs tors. theta energy: 16.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1314.054560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.054560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.054560 (E_RNA) where: Base-Base interactions energy: -896.477 where: short stacking energy: -389.219 Base-Backbone interact. energy: -3.267 local terms energy: -414.311086 where: bonds (distance) C4'-P energy: -82.803 bonds (distance) P-C4' energy: -77.085 flat angles C4'-P-C4' energy: -90.396 flat angles P-C4'-P energy: -49.989 tors. eta vs tors. theta energy: -114.038 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: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1245.430727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.430727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.430727 (E_RNA) where: Base-Base interactions energy: -828.446 where: short stacking energy: -401.880 Base-Backbone interact. energy: -2.384 local terms energy: -414.601591 where: bonds (distance) C4'-P energy: -71.450 bonds (distance) P-C4' energy: -79.306 flat angles C4'-P-C4' energy: -82.157 flat angles P-C4'-P energy: -55.253 tors. eta vs tors. theta energy: -126.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1252.937385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.937385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.937385 (E_RNA) where: Base-Base interactions energy: -845.230 where: short stacking energy: -355.071 Base-Backbone interact. energy: -1.201 local terms energy: -406.506008 where: bonds (distance) C4'-P energy: -72.599 bonds (distance) P-C4' energy: -85.178 flat angles C4'-P-C4' energy: -88.258 flat angles P-C4'-P energy: -57.886 tors. eta vs tors. theta energy: -102.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1166.248526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.248526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.248526 (E_RNA) where: Base-Base interactions energy: -766.131 where: short stacking energy: -348.431 Base-Backbone interact. energy: -3.488 local terms energy: -396.630028 where: bonds (distance) C4'-P energy: -74.547 bonds (distance) P-C4' energy: -75.347 flat angles C4'-P-C4' energy: -89.638 flat angles P-C4'-P energy: -47.949 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: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -958.538562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.538562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.538562 (E_RNA) where: Base-Base interactions energy: -621.715 where: short stacking energy: -280.032 Base-Backbone interact. energy: -0.726 local terms energy: -336.097827 where: bonds (distance) C4'-P energy: -72.862 bonds (distance) P-C4' energy: -67.384 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -38.366 tors. eta vs tors. theta energy: -79.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -696.017691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.017691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.017691 (E_RNA) where: Base-Base interactions energy: -395.531 where: short stacking energy: -185.194 Base-Backbone interact. energy: -1.179 local terms energy: -299.307578 where: bonds (distance) C4'-P energy: -72.522 bonds (distance) P-C4' energy: -77.881 flat angles C4'-P-C4' energy: -77.739 flat angles P-C4'-P energy: -44.020 tors. eta vs tors. theta energy: -27.146 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: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -736.795051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.795051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.795051 (E_RNA) where: Base-Base interactions energy: -454.648 where: short stacking energy: -200.237 Base-Backbone interact. energy: 4.827 local terms energy: -286.974260 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -63.722 flat angles C4'-P-C4' energy: -67.860 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: -40.530 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: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -586.082828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.082828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.082828 (E_RNA) where: Base-Base interactions energy: -309.979 where: short stacking energy: -152.298 Base-Backbone interact. energy: -0.074 local terms energy: -276.030590 where: bonds (distance) C4'-P energy: -59.918 bonds (distance) P-C4' energy: -86.883 flat angles C4'-P-C4' energy: -65.644 flat angles P-C4'-P energy: -43.003 tors. eta vs tors. theta energy: -20.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -428.604913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.604913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.604913 (E_RNA) where: Base-Base interactions energy: -185.822 where: short stacking energy: -120.570 Base-Backbone interact. energy: 3.527 local terms energy: -246.309939 where: bonds (distance) C4'-P energy: -62.585 bonds (distance) P-C4' energy: -79.939 flat angles C4'-P-C4' energy: -46.832 flat angles P-C4'-P energy: -40.561 tors. eta vs tors. theta energy: -16.394 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: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -326.536609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.536609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.536609 (E_RNA) where: Base-Base interactions energy: -97.662 where: short stacking energy: -78.737 Base-Backbone interact. energy: -1.095 local terms energy: -227.779612 where: bonds (distance) C4'-P energy: -64.618 bonds (distance) P-C4' energy: -68.891 flat angles C4'-P-C4' energy: -58.746 flat angles P-C4'-P energy: -40.952 tors. eta vs tors. theta energy: 5.426 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: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1321.996478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.996478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.996478 (E_RNA) where: Base-Base interactions energy: -888.706 where: short stacking energy: -358.040 Base-Backbone interact. energy: 0.124 local terms energy: -433.414047 where: bonds (distance) C4'-P energy: -78.132 bonds (distance) P-C4' energy: -85.185 flat angles C4'-P-C4' energy: -96.848 flat angles P-C4'-P energy: -53.727 tors. eta vs tors. theta energy: -119.522 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: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1269.558552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.558552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.558552 (E_RNA) where: Base-Base interactions energy: -824.296 where: short stacking energy: -374.373 Base-Backbone interact. energy: -1.892 local terms energy: -443.370638 where: bonds (distance) C4'-P energy: -74.387 bonds (distance) P-C4' energy: -89.141 flat angles C4'-P-C4' energy: -97.969 flat angles P-C4'-P energy: -63.621 tors. eta vs tors. theta energy: -118.253 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: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1217.737548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.737548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.737548 (E_RNA) where: Base-Base interactions energy: -831.921 where: short stacking energy: -364.233 Base-Backbone interact. energy: -1.286 local terms energy: -384.530656 where: bonds (distance) C4'-P energy: -66.998 bonds (distance) P-C4' energy: -74.470 flat angles C4'-P-C4' energy: -84.522 flat angles P-C4'-P energy: -56.419 tors. eta vs tors. theta energy: -102.122 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: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1161.918137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.918137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.918137 (E_RNA) where: Base-Base interactions energy: -787.750 where: short stacking energy: -356.383 Base-Backbone interact. energy: 0.779 local terms energy: -374.947508 where: bonds (distance) C4'-P energy: -60.715 bonds (distance) P-C4' energy: -84.139 flat angles C4'-P-C4' energy: -72.245 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -99.070 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: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1011.256532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.256532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.256532 (E_RNA) where: Base-Base interactions energy: -660.475 where: short stacking energy: -333.875 Base-Backbone interact. energy: -0.280 local terms energy: -350.501130 where: bonds (distance) C4'-P energy: -74.214 bonds (distance) P-C4' energy: -58.901 flat angles C4'-P-C4' energy: -80.409 flat angles P-C4'-P energy: -45.343 tors. eta vs tors. theta energy: -91.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -723.996640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.996640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.996640 (E_RNA) where: Base-Base interactions energy: -413.880 where: short stacking energy: -189.297 Base-Backbone interact. energy: 0.480 local terms energy: -310.596108 where: bonds (distance) C4'-P energy: -62.007 bonds (distance) P-C4' energy: -77.801 flat angles C4'-P-C4' energy: -80.126 flat angles P-C4'-P energy: -48.268 tors. eta vs tors. theta energy: -42.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -759.669985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.669985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.669985 (E_RNA) where: Base-Base interactions energy: -485.322 where: short stacking energy: -219.451 Base-Backbone interact. energy: -0.857 local terms energy: -273.491193 where: bonds (distance) C4'-P energy: -61.647 bonds (distance) P-C4' energy: -59.615 flat angles C4'-P-C4' energy: -64.316 flat angles P-C4'-P energy: -46.219 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: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -586.197064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.197064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.197064 (E_RNA) where: Base-Base interactions energy: -360.428 where: short stacking energy: -160.849 Base-Backbone interact. energy: -3.776 local terms energy: -221.993541 where: bonds (distance) C4'-P energy: -55.987 bonds (distance) P-C4' energy: -68.994 flat angles C4'-P-C4' energy: -48.832 flat angles P-C4'-P energy: -34.924 tors. eta vs tors. theta energy: -13.257 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: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -458.008457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.008457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.008457 (E_RNA) where: Base-Base interactions energy: -200.909 where: short stacking energy: -120.743 Base-Backbone interact. energy: -0.350 local terms energy: -256.749121 where: bonds (distance) C4'-P energy: -62.198 bonds (distance) P-C4' energy: -60.292 flat angles C4'-P-C4' energy: -65.833 flat angles P-C4'-P energy: -48.222 tors. eta vs tors. theta energy: -20.204 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: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -350.700308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.700308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.700308 (E_RNA) where: Base-Base interactions energy: -106.224 where: short stacking energy: -86.436 Base-Backbone interact. energy: 2.407 local terms energy: -246.883101 where: bonds (distance) C4'-P energy: -57.812 bonds (distance) P-C4' energy: -76.540 flat angles C4'-P-C4' energy: -64.158 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -7.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1323.502877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.502877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.502877 (E_RNA) where: Base-Base interactions energy: -913.710 where: short stacking energy: -376.832 Base-Backbone interact. energy: -0.325 local terms energy: -409.467509 where: bonds (distance) C4'-P energy: -79.503 bonds (distance) P-C4' energy: -78.791 flat angles C4'-P-C4' energy: -86.109 flat angles P-C4'-P energy: -59.567 tors. eta vs tors. theta energy: -105.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1240.076452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.076452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.076452 (E_RNA) where: Base-Base interactions energy: -834.720 where: short stacking energy: -348.785 Base-Backbone interact. energy: -0.825 local terms energy: -404.531737 where: bonds (distance) C4'-P energy: -82.425 bonds (distance) P-C4' energy: -81.298 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -61.308 tors. eta vs tors. theta energy: -97.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1234.391863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.391863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.391863 (E_RNA) where: Base-Base interactions energy: -815.194 where: short stacking energy: -369.266 Base-Backbone interact. energy: -4.100 local terms energy: -415.097984 where: bonds (distance) C4'-P energy: -67.877 bonds (distance) P-C4' energy: -82.861 flat angles C4'-P-C4' energy: -91.764 flat angles P-C4'-P energy: -56.197 tors. eta vs tors. theta energy: -116.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1155.505771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.505771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.505771 (E_RNA) where: Base-Base interactions energy: -767.404 where: short stacking energy: -331.606 Base-Backbone interact. energy: -2.712 local terms energy: -385.389711 where: bonds (distance) C4'-P energy: -78.073 bonds (distance) P-C4' energy: -71.809 flat angles C4'-P-C4' energy: -83.042 flat angles P-C4'-P energy: -64.378 tors. eta vs tors. theta energy: -88.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -989.444311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.444311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.444311 (E_RNA) where: Base-Base interactions energy: -626.038 where: short stacking energy: -288.166 Base-Backbone interact. energy: -0.802 local terms energy: -362.603872 where: bonds (distance) C4'-P energy: -73.541 bonds (distance) P-C4' energy: -82.810 flat angles C4'-P-C4' energy: -73.511 flat angles P-C4'-P energy: -57.637 tors. eta vs tors. theta energy: -75.106 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: 9 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -775.331815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.331815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.331815 (E_RNA) where: Base-Base interactions energy: -486.541 where: short stacking energy: -211.010 Base-Backbone interact. energy: -0.864 local terms energy: -287.926518 where: bonds (distance) C4'-P energy: -66.110 bonds (distance) P-C4' energy: -79.853 flat angles C4'-P-C4' energy: -63.350 flat angles P-C4'-P energy: -54.343 tors. eta vs tors. theta energy: -24.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -682.166416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.166416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.166416 (E_RNA) where: Base-Base interactions energy: -404.011 where: short stacking energy: -184.479 Base-Backbone interact. energy: -0.125 local terms energy: -278.029904 where: bonds (distance) C4'-P energy: -77.496 bonds (distance) P-C4' energy: -82.261 flat angles C4'-P-C4' energy: -49.238 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: -22.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -632.838614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.838614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.838614 (E_RNA) where: Base-Base interactions energy: -344.497 where: short stacking energy: -149.796 Base-Backbone interact. energy: -2.675 local terms energy: -285.667100 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -82.602 flat angles C4'-P-C4' energy: -65.792 flat angles P-C4'-P energy: -38.277 tors. eta vs tors. theta energy: -27.303 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: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -485.245999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.245999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.245999 (E_RNA) where: Base-Base interactions energy: -228.322 where: short stacking energy: -154.152 Base-Backbone interact. energy: 0.368 local terms energy: -257.292664 where: bonds (distance) C4'-P energy: -66.873 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -62.582 flat angles P-C4'-P energy: -39.175 tors. eta vs tors. theta energy: -24.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -308.817354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.817354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.817354 (E_RNA) where: Base-Base interactions energy: -115.016 where: short stacking energy: -97.536 Base-Backbone interact. energy: 2.325 local terms energy: -196.125771 where: bonds (distance) C4'-P energy: -45.171 bonds (distance) P-C4' energy: -63.258 flat angles C4'-P-C4' energy: -60.473 flat angles P-C4'-P energy: -38.501 tors. eta vs tors. theta energy: 11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1338.873219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.873219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.873219 (E_RNA) where: Base-Base interactions energy: -905.762 where: short stacking energy: -369.016 Base-Backbone interact. energy: 0.031 local terms energy: -433.142923 where: bonds (distance) C4'-P energy: -85.255 bonds (distance) P-C4' energy: -83.327 flat angles C4'-P-C4' energy: -86.935 flat angles P-C4'-P energy: -65.042 tors. eta vs tors. theta energy: -112.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1209.735309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.735309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.735309 (E_RNA) where: Base-Base interactions energy: -788.912 where: short stacking energy: -334.051 Base-Backbone interact. energy: -2.748 local terms energy: -418.075403 where: bonds (distance) C4'-P energy: -77.062 bonds (distance) P-C4' energy: -84.224 flat angles C4'-P-C4' energy: -90.745 flat angles P-C4'-P energy: -61.490 tors. eta vs tors. theta energy: -104.555 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: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1250.874876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.874876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.874876 (E_RNA) where: Base-Base interactions energy: -826.916 where: short stacking energy: -363.317 Base-Backbone interact. energy: -2.031 local terms energy: -421.927951 where: bonds (distance) C4'-P energy: -77.773 bonds (distance) P-C4' energy: -76.179 flat angles C4'-P-C4' energy: -92.873 flat angles P-C4'-P energy: -57.914 tors. eta vs tors. theta energy: -117.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1150.758464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.758464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.758464 (E_RNA) where: Base-Base interactions energy: -784.188 where: short stacking energy: -326.942 Base-Backbone interact. energy: -4.490 local terms energy: -362.080837 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -71.273 flat angles C4'-P-C4' energy: -80.294 flat angles P-C4'-P energy: -50.111 tors. eta vs tors. theta energy: -94.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -967.067286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.067286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.067286 (E_RNA) where: Base-Base interactions energy: -614.678 where: short stacking energy: -288.007 Base-Backbone interact. energy: -2.189 local terms energy: -350.200573 where: bonds (distance) C4'-P energy: -63.471 bonds (distance) P-C4' energy: -92.642 flat angles C4'-P-C4' energy: -70.228 flat angles P-C4'-P energy: -47.471 tors. eta vs tors. theta energy: -76.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -756.620807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.620807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.620807 (E_RNA) where: Base-Base interactions energy: -453.277 where: short stacking energy: -203.464 Base-Backbone interact. energy: -1.605 local terms energy: -301.739243 where: bonds (distance) C4'-P energy: -67.219 bonds (distance) P-C4' energy: -79.987 flat angles C4'-P-C4' energy: -63.310 flat angles P-C4'-P energy: -50.552 tors. eta vs tors. theta energy: -40.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -659.034493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.034493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.034493 (E_RNA) where: Base-Base interactions energy: -382.608 where: short stacking energy: -193.591 Base-Backbone interact. energy: -1.566 local terms energy: -274.860320 where: bonds (distance) C4'-P energy: -56.887 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -72.673 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: -32.985 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: 8, replica: 2 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -613.239784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.239784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.239784 (E_RNA) where: Base-Base interactions energy: -375.058 where: short stacking energy: -158.669 Base-Backbone interact. energy: 1.286 local terms energy: -239.467934 where: bonds (distance) C4'-P energy: -42.741 bonds (distance) P-C4' energy: -74.871 flat angles C4'-P-C4' energy: -69.889 flat angles P-C4'-P energy: -38.454 tors. eta vs tors. theta energy: -13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -390.518068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.518068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.518068 (E_RNA) where: Base-Base interactions energy: -189.863 where: short stacking energy: -103.218 Base-Backbone interact. energy: -1.988 local terms energy: -198.667004 where: bonds (distance) C4'-P energy: -55.584 bonds (distance) P-C4' energy: -67.293 flat angles C4'-P-C4' energy: -52.203 flat angles P-C4'-P energy: -27.418 tors. eta vs tors. theta energy: 3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -315.737019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.737019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.737019 (E_RNA) where: Base-Base interactions energy: -113.641 where: short stacking energy: -93.999 Base-Backbone interact. energy: 0.504 local terms energy: -202.600021 where: bonds (distance) C4'-P energy: -64.141 bonds (distance) P-C4' energy: -71.088 flat angles C4'-P-C4' energy: -59.477 flat angles P-C4'-P energy: -20.935 tors. eta vs tors. theta energy: 13.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1338.119136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.119136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.119136 (E_RNA) where: Base-Base interactions energy: -910.184 where: short stacking energy: -373.121 Base-Backbone interact. energy: 3.988 local terms energy: -431.922617 where: bonds (distance) C4'-P energy: -84.135 bonds (distance) P-C4' energy: -69.063 flat angles C4'-P-C4' energy: -91.724 flat angles P-C4'-P energy: -68.747 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: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1256.315098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.315098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.315098 (E_RNA) where: Base-Base interactions energy: -827.464 where: short stacking energy: -394.624 Base-Backbone interact. energy: -1.596 local terms energy: -427.255232 where: bonds (distance) C4'-P energy: -77.409 bonds (distance) P-C4' energy: -84.563 flat angles C4'-P-C4' energy: -88.860 flat angles P-C4'-P energy: -58.992 tors. eta vs tors. theta energy: -117.432 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: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1160.699006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.699006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.699006 (E_RNA) where: Base-Base interactions energy: -744.069 where: short stacking energy: -349.717 Base-Backbone interact. energy: -1.398 local terms energy: -415.231949 where: bonds (distance) C4'-P energy: -94.289 bonds (distance) P-C4' energy: -77.423 flat angles C4'-P-C4' energy: -79.391 flat angles P-C4'-P energy: -56.826 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: 4, replica: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1172.830243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.830243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.830243 (E_RNA) where: Base-Base interactions energy: -772.726 where: short stacking energy: -325.241 Base-Backbone interact. energy: -0.586 local terms energy: -399.518245 where: bonds (distance) C4'-P energy: -81.256 bonds (distance) P-C4' energy: -84.723 flat angles C4'-P-C4' energy: -90.390 flat angles P-C4'-P energy: -45.741 tors. eta vs tors. theta energy: -97.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -942.275173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.275173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.275173 (E_RNA) where: Base-Base interactions energy: -619.669 where: short stacking energy: -287.546 Base-Backbone interact. energy: 1.377 local terms energy: -323.983431 where: bonds (distance) C4'-P energy: -66.506 bonds (distance) P-C4' energy: -72.993 flat angles C4'-P-C4' energy: -71.227 flat angles P-C4'-P energy: -42.076 tors. eta vs tors. theta energy: -71.181 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: 6, replica: 9 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -755.795038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.795038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.795038 (E_RNA) where: Base-Base interactions energy: -463.835 where: short stacking energy: -213.662 Base-Backbone interact. energy: -0.903 local terms energy: -291.056551 where: bonds (distance) C4'-P energy: -71.478 bonds (distance) P-C4' energy: -75.849 flat angles C4'-P-C4' energy: -55.175 flat angles P-C4'-P energy: -43.298 tors. eta vs tors. theta energy: -45.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -690.233303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.233303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.233303 (E_RNA) where: Base-Base interactions energy: -390.407 where: short stacking energy: -182.927 Base-Backbone interact. energy: -2.803 local terms energy: -297.022826 where: bonds (distance) C4'-P energy: -71.488 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -70.630 flat angles P-C4'-P energy: -49.765 tors. eta vs tors. theta energy: -24.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -600.155070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.155070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.155070 (E_RNA) where: Base-Base interactions energy: -342.437 where: short stacking energy: -163.387 Base-Backbone interact. energy: -2.121 local terms energy: -255.597253 where: bonds (distance) C4'-P energy: -66.057 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -43.064 tors. eta vs tors. theta energy: -26.469 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: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -359.207563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.207563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.207563 (E_RNA) where: Base-Base interactions energy: -119.555 where: short stacking energy: -98.178 Base-Backbone interact. energy: -2.186 local terms energy: -237.467097 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -75.044 flat angles C4'-P-C4' energy: -55.033 flat angles P-C4'-P energy: -38.370 tors. eta vs tors. theta energy: -6.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -298.470384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.470384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.470384 (E_RNA) where: Base-Base interactions energy: -80.545 where: short stacking energy: -52.355 Base-Backbone interact. energy: -2.499 local terms energy: -215.427248 where: bonds (distance) C4'-P energy: -82.456 bonds (distance) P-C4' energy: -71.464 flat angles C4'-P-C4' energy: -52.855 flat angles P-C4'-P energy: -32.860 tors. eta vs tors. theta energy: 24.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1319.751265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.751265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.751265 (E_RNA) where: Base-Base interactions energy: -883.204 where: short stacking energy: -386.135 Base-Backbone interact. energy: -0.005 local terms energy: -436.542322 where: bonds (distance) C4'-P energy: -83.623 bonds (distance) P-C4' energy: -83.413 flat angles C4'-P-C4' energy: -94.694 flat angles P-C4'-P energy: -59.977 tors. eta vs tors. theta energy: -114.835 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: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1237.900475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.900475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.900475 (E_RNA) where: Base-Base interactions energy: -809.604 where: short stacking energy: -369.209 Base-Backbone interact. energy: -0.880 local terms energy: -427.416977 where: bonds (distance) C4'-P energy: -72.186 bonds (distance) P-C4' energy: -87.710 flat angles C4'-P-C4' energy: -93.709 flat angles P-C4'-P energy: -62.368 tors. eta vs tors. theta energy: -111.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1178.172079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.172079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.172079 (E_RNA) where: Base-Base interactions energy: -775.162 where: short stacking energy: -338.397 Base-Backbone interact. energy: -0.475 local terms energy: -402.534609 where: bonds (distance) C4'-P energy: -75.303 bonds (distance) P-C4' energy: -77.957 flat angles C4'-P-C4' energy: -74.151 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: -109.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1114.380890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.380890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.380890 (E_RNA) where: Base-Base interactions energy: -728.788 where: short stacking energy: -302.189 Base-Backbone interact. energy: 4.039 local terms energy: -389.632035 where: bonds (distance) C4'-P energy: -83.230 bonds (distance) P-C4' energy: -78.479 flat angles C4'-P-C4' energy: -86.692 flat angles P-C4'-P energy: -39.922 tors. eta vs tors. theta energy: -101.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -971.877363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.877363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.877363 (E_RNA) where: Base-Base interactions energy: -631.255 where: short stacking energy: -292.400 Base-Backbone interact. energy: -1.703 local terms energy: -338.919234 where: bonds (distance) C4'-P energy: -56.316 bonds (distance) P-C4' energy: -74.377 flat angles C4'-P-C4' energy: -77.066 flat angles P-C4'-P energy: -52.614 tors. eta vs tors. theta energy: -78.546 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: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -780.001324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.001324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.001324 (E_RNA) where: Base-Base interactions energy: -480.854 where: short stacking energy: -220.258 Base-Backbone interact. energy: -2.055 local terms energy: -297.092089 where: bonds (distance) C4'-P energy: -62.879 bonds (distance) P-C4' energy: -69.667 flat angles C4'-P-C4' energy: -76.721 flat angles P-C4'-P energy: -33.588 tors. eta vs tors. theta energy: -54.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -727.303674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.303674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.303674 (E_RNA) where: Base-Base interactions energy: -432.661 where: short stacking energy: -201.475 Base-Backbone interact. energy: -2.217 local terms energy: -292.425764 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -80.678 flat angles C4'-P-C4' energy: -64.712 flat angles P-C4'-P energy: -51.945 tors. eta vs tors. theta energy: -36.599 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: 8, replica: 2 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -596.216625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.216625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.216625 (E_RNA) where: Base-Base interactions energy: -346.339 where: short stacking energy: -171.529 Base-Backbone interact. energy: -0.370 local terms energy: -249.507679 where: bonds (distance) C4'-P energy: -66.326 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -64.584 flat angles P-C4'-P energy: -31.408 tors. eta vs tors. theta energy: -18.035 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: 284 Temperature: 1.300000 Total energy: -333.284469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.284469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.284469 (E_RNA) where: Base-Base interactions energy: -101.850 where: short stacking energy: -88.422 Base-Backbone interact. energy: 0.201 local terms energy: -231.635483 where: bonds (distance) C4'-P energy: -75.614 bonds (distance) P-C4' energy: -76.450 flat angles C4'-P-C4' energy: -61.308 flat angles P-C4'-P energy: -31.682 tors. eta vs tors. theta energy: 13.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -321.451312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.451312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.451312 (E_RNA) where: Base-Base interactions energy: -111.048 where: short stacking energy: -106.400 Base-Backbone interact. energy: 4.757 local terms energy: -215.159948 where: bonds (distance) C4'-P energy: -41.248 bonds (distance) P-C4' energy: -69.971 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -36.209 tors. eta vs tors. theta energy: 3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1304.788142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.788142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.788142 (E_RNA) where: Base-Base interactions energy: -882.100 where: short stacking energy: -366.140 Base-Backbone interact. energy: -3.322 local terms energy: -419.365786 where: bonds (distance) C4'-P energy: -84.436 bonds (distance) P-C4' energy: -74.893 flat angles C4'-P-C4' energy: -96.111 flat angles P-C4'-P energy: -54.380 tors. eta vs tors. theta energy: -109.546 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: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1222.927176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.927176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.927176 (E_RNA) where: Base-Base interactions energy: -796.504 where: short stacking energy: -372.298 Base-Backbone interact. energy: -1.599 local terms energy: -424.824086 where: bonds (distance) C4'-P energy: -74.184 bonds (distance) P-C4' energy: -82.338 flat angles C4'-P-C4' energy: -92.436 flat angles P-C4'-P energy: -58.514 tors. eta vs tors. theta energy: -117.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1186.367828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.367828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.367828 (E_RNA) where: Base-Base interactions energy: -790.575 where: short stacking energy: -321.878 Base-Backbone interact. energy: 0.022 local terms energy: -395.815356 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -83.925 flat angles C4'-P-C4' energy: -85.834 flat angles P-C4'-P energy: -60.376 tors. eta vs tors. theta energy: -102.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1133.481253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.481253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.481253 (E_RNA) where: Base-Base interactions energy: -742.711 where: short stacking energy: -310.882 Base-Backbone interact. energy: -1.838 local terms energy: -388.932724 where: bonds (distance) C4'-P energy: -82.120 bonds (distance) P-C4' energy: -78.746 flat angles C4'-P-C4' energy: -86.464 flat angles P-C4'-P energy: -52.852 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: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -977.281421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.281421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.281421 (E_RNA) where: Base-Base interactions energy: -633.348 where: short stacking energy: -288.526 Base-Backbone interact. energy: 2.920 local terms energy: -346.853236 where: bonds (distance) C4'-P energy: -63.147 bonds (distance) P-C4' energy: -70.056 flat angles C4'-P-C4' energy: -76.904 flat angles P-C4'-P energy: -62.051 tors. eta vs tors. theta energy: -74.696 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: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -765.531683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.531683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.531683 (E_RNA) where: Base-Base interactions energy: -462.625 where: short stacking energy: -197.264 Base-Backbone interact. energy: -0.803 local terms energy: -302.103644 where: bonds (distance) C4'-P energy: -72.892 bonds (distance) P-C4' energy: -66.245 flat angles C4'-P-C4' energy: -76.851 flat angles P-C4'-P energy: -42.700 tors. eta vs tors. theta energy: -43.416 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: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -714.415422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.415422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.415422 (E_RNA) where: Base-Base interactions energy: -459.823 where: short stacking energy: -229.546 Base-Backbone interact. energy: -4.433 local terms energy: -250.160046 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -58.395 flat angles C4'-P-C4' energy: -60.429 flat angles P-C4'-P energy: -24.151 tors. eta vs tors. theta energy: -45.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -597.361447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.361447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.361447 (E_RNA) where: Base-Base interactions energy: -332.990 where: short stacking energy: -154.632 Base-Backbone interact. energy: -0.461 local terms energy: -263.910666 where: bonds (distance) C4'-P energy: -68.528 bonds (distance) P-C4' energy: -71.446 flat angles C4'-P-C4' energy: -49.662 flat angles P-C4'-P energy: -50.740 tors. eta vs tors. theta energy: -23.536 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: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -345.110073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.110073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.110073 (E_RNA) where: Base-Base interactions energy: -108.696 where: short stacking energy: -89.540 Base-Backbone interact. energy: -0.988 local terms energy: -235.426148 where: bonds (distance) C4'-P energy: -70.716 bonds (distance) P-C4' energy: -62.301 flat angles C4'-P-C4' energy: -59.712 flat angles P-C4'-P energy: -45.586 tors. eta vs tors. theta energy: 2.888 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: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -322.086693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.086693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.086693 (E_RNA) where: Base-Base interactions energy: -140.949 where: short stacking energy: -107.203 Base-Backbone interact. energy: 1.319 local terms energy: -182.456691 where: bonds (distance) C4'-P energy: -53.824 bonds (distance) P-C4' energy: -55.075 flat angles C4'-P-C4' energy: -40.527 flat angles P-C4'-P energy: -38.118 tors. eta vs tors. theta energy: 5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1324.334836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.334836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.334836 (E_RNA) where: Base-Base interactions energy: -920.064 where: short stacking energy: -376.144 Base-Backbone interact. energy: 2.732 local terms energy: -407.003356 where: bonds (distance) C4'-P energy: -74.762 bonds (distance) P-C4' energy: -77.172 flat angles C4'-P-C4' energy: -81.343 flat angles P-C4'-P energy: -58.529 tors. eta vs tors. theta energy: -115.198 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: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1228.277418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.277418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.277418 (E_RNA) where: Base-Base interactions energy: -819.732 where: short stacking energy: -362.900 Base-Backbone interact. energy: 4.143 local terms energy: -412.688453 where: bonds (distance) C4'-P energy: -76.655 bonds (distance) P-C4' energy: -86.782 flat angles C4'-P-C4' energy: -84.258 flat angles P-C4'-P energy: -57.409 tors. eta vs tors. theta energy: -107.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1182.609308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.609308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.609308 (E_RNA) where: Base-Base interactions energy: -781.004 where: short stacking energy: -358.564 Base-Backbone interact. energy: 0.717 local terms energy: -402.322516 where: bonds (distance) C4'-P energy: -75.914 bonds (distance) P-C4' energy: -75.210 flat angles C4'-P-C4' energy: -85.187 flat angles P-C4'-P energy: -57.874 tors. eta vs tors. theta energy: -108.137 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: 286 Temperature: 1.050000 Total energy: -1125.988832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.988832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.988832 (E_RNA) where: Base-Base interactions energy: -754.615 where: short stacking energy: -325.782 Base-Backbone interact. energy: 0.196 local terms energy: -371.569279 where: bonds (distance) C4'-P energy: -72.357 bonds (distance) P-C4' energy: -84.134 flat angles C4'-P-C4' energy: -75.393 flat angles P-C4'-P energy: -51.411 tors. eta vs tors. theta energy: -88.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1021.582858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.582858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.582858 (E_RNA) where: Base-Base interactions energy: -674.008 where: short stacking energy: -314.892 Base-Backbone interact. energy: 0.844 local terms energy: -348.418292 where: bonds (distance) C4'-P energy: -65.075 bonds (distance) P-C4' energy: -76.638 flat angles C4'-P-C4' energy: -75.978 flat angles P-C4'-P energy: -42.931 tors. eta vs tors. theta energy: -87.795 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: 6, replica: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -749.065049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.065049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.065049 (E_RNA) where: Base-Base interactions energy: -462.080 where: short stacking energy: -209.631 Base-Backbone interact. energy: -2.643 local terms energy: -284.342747 where: bonds (distance) C4'-P energy: -72.786 bonds (distance) P-C4' energy: -69.810 flat angles C4'-P-C4' energy: -62.108 flat angles P-C4'-P energy: -31.889 tors. eta vs tors. theta energy: -47.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -744.375544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.375544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.375544 (E_RNA) where: Base-Base interactions energy: -454.251 where: short stacking energy: -223.946 Base-Backbone interact. energy: -0.638 local terms energy: -289.487130 where: bonds (distance) C4'-P energy: -64.654 bonds (distance) P-C4' energy: -75.081 flat angles C4'-P-C4' energy: -66.827 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: -44.109 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: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -605.380497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.380497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.380497 (E_RNA) where: Base-Base interactions energy: -319.692 where: short stacking energy: -180.486 Base-Backbone interact. energy: 1.619 local terms energy: -287.308079 where: bonds (distance) C4'-P energy: -75.103 bonds (distance) P-C4' energy: -68.408 flat angles C4'-P-C4' energy: -76.364 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: -22.653 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: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -365.119017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.119017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.119017 (E_RNA) where: Base-Base interactions energy: -135.220 where: short stacking energy: -88.274 Base-Backbone interact. energy: -1.156 local terms energy: -228.743015 where: bonds (distance) C4'-P energy: -76.807 bonds (distance) P-C4' energy: -62.392 flat angles C4'-P-C4' energy: -61.515 flat angles P-C4'-P energy: -29.832 tors. eta vs tors. theta energy: 1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -319.460784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.460784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.460784 (E_RNA) where: Base-Base interactions energy: -113.213 where: short stacking energy: -87.634 Base-Backbone interact. energy: -2.378 local terms energy: -203.869753 where: bonds (distance) C4'-P energy: -57.076 bonds (distance) P-C4' energy: -57.036 flat angles C4'-P-C4' energy: -58.628 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: 11.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1314.962698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.962698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.962698 (E_RNA) where: Base-Base interactions energy: -899.404 where: short stacking energy: -373.243 Base-Backbone interact. energy: -4.132 local terms energy: -411.426473 where: bonds (distance) C4'-P energy: -70.358 bonds (distance) P-C4' energy: -71.680 flat angles C4'-P-C4' energy: -92.950 flat angles P-C4'-P energy: -68.368 tors. eta vs tors. theta energy: -108.071 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: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1228.914816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.914816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.914816 (E_RNA) where: Base-Base interactions energy: -824.487 where: short stacking energy: -385.711 Base-Backbone interact. energy: 0.077 local terms energy: -404.504480 where: bonds (distance) C4'-P energy: -65.593 bonds (distance) P-C4' energy: -81.971 flat angles C4'-P-C4' energy: -79.768 flat angles P-C4'-P energy: -63.402 tors. eta vs tors. theta energy: -113.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1174.270839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.270839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.270839 (E_RNA) where: Base-Base interactions energy: -768.050 where: short stacking energy: -335.584 Base-Backbone interact. energy: -1.419 local terms energy: -404.801781 where: bonds (distance) C4'-P energy: -79.924 bonds (distance) P-C4' energy: -74.782 flat angles C4'-P-C4' energy: -88.617 flat angles P-C4'-P energy: -63.203 tors. eta vs tors. theta energy: -98.274 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: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1139.897096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.897096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.897096 (E_RNA) where: Base-Base interactions energy: -753.251 where: short stacking energy: -332.541 Base-Backbone interact. energy: 4.274 local terms energy: -390.919611 where: bonds (distance) C4'-P energy: -75.796 bonds (distance) P-C4' energy: -79.069 flat angles C4'-P-C4' energy: -88.462 flat angles P-C4'-P energy: -55.496 tors. eta vs tors. theta energy: -92.096 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: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1024.526195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.526195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.526195 (E_RNA) where: Base-Base interactions energy: -671.585 where: short stacking energy: -300.034 Base-Backbone interact. energy: -0.064 local terms energy: -352.877849 where: bonds (distance) C4'-P energy: -67.952 bonds (distance) P-C4' energy: -83.130 flat angles C4'-P-C4' energy: -68.223 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: -85.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -787.904697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.904697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.904697 (E_RNA) where: Base-Base interactions energy: -476.415 where: short stacking energy: -228.150 Base-Backbone interact. energy: -2.747 local terms energy: -308.742370 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -73.195 flat angles C4'-P-C4' energy: -70.950 flat angles P-C4'-P energy: -44.866 tors. eta vs tors. theta energy: -53.696 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: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -732.126524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.126524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.126524 (E_RNA) where: Base-Base interactions energy: -459.350 where: short stacking energy: -222.972 Base-Backbone interact. energy: -2.615 local terms energy: -270.160893 where: bonds (distance) C4'-P energy: -60.270 bonds (distance) P-C4' energy: -66.455 flat angles C4'-P-C4' energy: -64.402 flat angles P-C4'-P energy: -34.466 tors. eta vs tors. theta energy: -44.568 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: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -609.052928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.052928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.052928 (E_RNA) where: Base-Base interactions energy: -363.983 where: short stacking energy: -173.333 Base-Backbone interact. energy: 0.301 local terms energy: -245.370842 where: bonds (distance) C4'-P energy: -62.212 bonds (distance) P-C4' energy: -70.548 flat angles C4'-P-C4' energy: -73.750 flat angles P-C4'-P energy: -26.748 tors. eta vs tors. theta energy: -12.114 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: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -320.838382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.838382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.838382 (E_RNA) where: Base-Base interactions energy: -101.913 where: short stacking energy: -90.673 Base-Backbone interact. energy: -0.141 local terms energy: -218.784789 where: bonds (distance) C4'-P energy: -64.424 bonds (distance) P-C4' energy: -65.451 flat angles C4'-P-C4' energy: -61.828 flat angles P-C4'-P energy: -36.543 tors. eta vs tors. theta energy: 9.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -296.690533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.690533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.690533 (E_RNA) where: Base-Base interactions energy: -104.031 where: short stacking energy: -64.736 Base-Backbone interact. energy: -0.904 local terms energy: -191.755707 where: bonds (distance) C4'-P energy: -61.659 bonds (distance) P-C4' energy: -73.294 flat angles C4'-P-C4' energy: -46.822 flat angles P-C4'-P energy: -33.648 tors. eta vs tors. theta energy: 23.668 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: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1339.273289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.273289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.273289 (E_RNA) where: Base-Base interactions energy: -920.159 where: short stacking energy: -383.590 Base-Backbone interact. energy: -2.591 local terms energy: -416.523235 where: bonds (distance) C4'-P energy: -86.600 bonds (distance) P-C4' energy: -81.146 flat angles C4'-P-C4' energy: -83.558 flat angles P-C4'-P energy: -54.606 tors. eta vs tors. theta energy: -110.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1253.292156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.292156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.292156 (E_RNA) where: Base-Base interactions energy: -834.425 where: short stacking energy: -371.991 Base-Backbone interact. energy: -1.990 local terms energy: -416.876321 where: bonds (distance) C4'-P energy: -73.059 bonds (distance) P-C4' energy: -79.989 flat angles C4'-P-C4' energy: -86.306 flat angles P-C4'-P energy: -55.012 tors. eta vs tors. theta energy: -122.510 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: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1190.173499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.173499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.173499 (E_RNA) where: Base-Base interactions energy: -785.740 where: short stacking energy: -361.963 Base-Backbone interact. energy: -1.901 local terms energy: -402.532359 where: bonds (distance) C4'-P energy: -72.677 bonds (distance) P-C4' energy: -83.068 flat angles C4'-P-C4' energy: -88.545 flat angles P-C4'-P energy: -56.263 tors. eta vs tors. theta energy: -101.978 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: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1135.979957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.979957 (E_RNA) where: Base-Base interactions energy: -765.433 where: short stacking energy: -329.708 Base-Backbone interact. energy: 0.593 local terms energy: -371.140153 where: bonds (distance) C4'-P energy: -71.839 bonds (distance) P-C4' energy: -75.166 flat angles C4'-P-C4' energy: -76.865 flat angles P-C4'-P energy: -54.967 tors. eta vs tors. theta energy: -92.303 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: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1033.203560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.203560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.203560 (E_RNA) where: Base-Base interactions energy: -691.596 where: short stacking energy: -286.776 Base-Backbone interact. energy: -0.222 local terms energy: -341.385427 where: bonds (distance) C4'-P energy: -79.670 bonds (distance) P-C4' energy: -61.999 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -42.255 tors. eta vs tors. theta energy: -83.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -817.165494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.165494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.165494 (E_RNA) where: Base-Base interactions energy: -501.040 where: short stacking energy: -228.760 Base-Backbone interact. energy: -1.565 local terms energy: -314.559861 where: bonds (distance) C4'-P energy: -66.366 bonds (distance) P-C4' energy: -77.221 flat angles C4'-P-C4' energy: -73.818 flat angles P-C4'-P energy: -48.973 tors. eta vs tors. theta energy: -48.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -735.584475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.584475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.584475 (E_RNA) where: Base-Base interactions energy: -446.725 where: short stacking energy: -202.296 Base-Backbone interact. energy: -0.338 local terms energy: -288.521266 where: bonds (distance) C4'-P energy: -70.495 bonds (distance) P-C4' energy: -68.002 flat angles C4'-P-C4' energy: -62.987 flat angles P-C4'-P energy: -43.399 tors. eta vs tors. theta energy: -43.638 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: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -569.469138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.469138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.469138 (E_RNA) where: Base-Base interactions energy: -335.195 where: short stacking energy: -154.749 Base-Backbone interact. energy: 0.722 local terms energy: -234.996075 where: bonds (distance) C4'-P energy: -54.775 bonds (distance) P-C4' energy: -74.032 flat angles C4'-P-C4' energy: -59.544 flat angles P-C4'-P energy: -37.261 tors. eta vs tors. theta energy: -9.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -316.684431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.684431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.684431 (E_RNA) where: Base-Base interactions energy: -116.108 where: short stacking energy: -84.915 Base-Backbone interact. energy: -0.646 local terms energy: -199.930084 where: bonds (distance) C4'-P energy: -62.741 bonds (distance) P-C4' energy: -58.302 flat angles C4'-P-C4' energy: -58.964 flat angles P-C4'-P energy: -34.645 tors. eta vs tors. theta energy: 14.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -310.190518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.190518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.190518 (E_RNA) where: Base-Base interactions energy: -93.147 where: short stacking energy: -72.920 Base-Backbone interact. energy: 2.544 local terms energy: -219.587881 where: bonds (distance) C4'-P energy: -70.761 bonds (distance) P-C4' energy: -70.562 flat angles C4'-P-C4' energy: -62.585 flat angles P-C4'-P energy: -35.344 tors. eta vs tors. theta energy: 19.664 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: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1355.149829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.149829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.149829 (E_RNA) where: Base-Base interactions energy: -937.199 where: short stacking energy: -390.450 Base-Backbone interact. energy: -0.734 local terms energy: -417.216969 where: bonds (distance) C4'-P energy: -73.798 bonds (distance) P-C4' energy: -80.682 flat angles C4'-P-C4' energy: -89.207 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -116.649 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: 6 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1236.075697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.075697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.075697 (E_RNA) where: Base-Base interactions energy: -834.506 where: short stacking energy: -362.489 Base-Backbone interact. energy: -3.668 local terms energy: -397.902242 where: bonds (distance) C4'-P energy: -76.707 bonds (distance) P-C4' energy: -73.762 flat angles C4'-P-C4' energy: -81.031 flat angles P-C4'-P energy: -55.237 tors. eta vs tors. theta energy: -111.164 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: 289 Temperature: 1.000000 Total energy: -1194.859799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.859799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.859799 (E_RNA) where: Base-Base interactions energy: -794.240 where: short stacking energy: -348.551 Base-Backbone interact. energy: -0.096 local terms energy: -400.523019 where: bonds (distance) C4'-P energy: -64.671 bonds (distance) P-C4' energy: -70.823 flat angles C4'-P-C4' energy: -88.354 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: -116.192 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: 289 Temperature: 1.050000 Total energy: -1132.781047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.781047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.781047 (E_RNA) where: Base-Base interactions energy: -750.511 where: short stacking energy: -305.540 Base-Backbone interact. energy: -0.320 local terms energy: -381.949186 where: bonds (distance) C4'-P energy: -77.354 bonds (distance) P-C4' energy: -68.173 flat angles C4'-P-C4' energy: -88.343 flat angles P-C4'-P energy: -55.445 tors. eta vs tors. theta energy: -92.634 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: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1010.127853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.127853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.127853 (E_RNA) where: Base-Base interactions energy: -664.527 where: short stacking energy: -293.687 Base-Backbone interact. energy: -2.769 local terms energy: -342.831267 where: bonds (distance) C4'-P energy: -69.779 bonds (distance) P-C4' energy: -75.167 flat angles C4'-P-C4' energy: -66.060 flat angles P-C4'-P energy: -44.451 tors. eta vs tors. theta energy: -87.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -819.914918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.914918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.914918 (E_RNA) where: Base-Base interactions energy: -495.708 where: short stacking energy: -225.337 Base-Backbone interact. energy: -0.398 local terms energy: -323.808466 where: bonds (distance) C4'-P energy: -60.050 bonds (distance) P-C4' energy: -74.569 flat angles C4'-P-C4' energy: -78.216 flat angles P-C4'-P energy: -49.956 tors. eta vs tors. theta energy: -61.017 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: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -717.044535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.044535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.044535 (E_RNA) where: Base-Base interactions energy: -419.824 where: short stacking energy: -199.448 Base-Backbone interact. energy: 1.407 local terms energy: -298.628004 where: bonds (distance) C4'-P energy: -67.833 bonds (distance) P-C4' energy: -72.608 flat angles C4'-P-C4' energy: -70.886 flat angles P-C4'-P energy: -43.390 tors. eta vs tors. theta energy: -43.910 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: 2 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -604.567745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.567745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.567745 (E_RNA) where: Base-Base interactions energy: -348.791 where: short stacking energy: -168.931 Base-Backbone interact. energy: -0.516 local terms energy: -255.260716 where: bonds (distance) C4'-P energy: -64.004 bonds (distance) P-C4' energy: -67.997 flat angles C4'-P-C4' energy: -56.279 flat angles P-C4'-P energy: -44.484 tors. eta vs tors. theta energy: -22.496 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: 289 Temperature: 1.300000 Total energy: -360.428822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.428822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.428822 (E_RNA) where: Base-Base interactions energy: -131.147 where: short stacking energy: -101.232 Base-Backbone interact. energy: -0.983 local terms energy: -228.299515 where: bonds (distance) C4'-P energy: -55.828 bonds (distance) P-C4' energy: -80.756 flat angles C4'-P-C4' energy: -58.359 flat angles P-C4'-P energy: -39.945 tors. eta vs tors. theta energy: 6.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -320.765177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.765177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.765177 (E_RNA) where: Base-Base interactions energy: -110.117 where: short stacking energy: -91.329 Base-Backbone interact. energy: 0.417 local terms energy: -211.065792 where: bonds (distance) C4'-P energy: -50.261 bonds (distance) P-C4' energy: -73.056 flat angles C4'-P-C4' energy: -59.072 flat angles P-C4'-P energy: -32.237 tors. eta vs tors. theta energy: 3.561 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: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1357.755829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.755829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.755829 (E_RNA) where: Base-Base interactions energy: -926.942 where: short stacking energy: -384.951 Base-Backbone interact. energy: -3.423 local terms energy: -427.390349 where: bonds (distance) C4'-P energy: -76.170 bonds (distance) P-C4' energy: -75.667 flat angles C4'-P-C4' energy: -93.602 flat angles P-C4'-P energy: -62.575 tors. eta vs tors. theta energy: -119.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1251.541671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.541671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.541671 (E_RNA) where: Base-Base interactions energy: -840.737 where: short stacking energy: -364.325 Base-Backbone interact. energy: -2.570 local terms energy: -408.235091 where: bonds (distance) C4'-P energy: -76.051 bonds (distance) P-C4' energy: -75.564 flat angles C4'-P-C4' energy: -91.447 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -100.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1183.925762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.925762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.925762 (E_RNA) where: Base-Base interactions energy: -783.180 where: short stacking energy: -350.894 Base-Backbone interact. energy: -0.967 local terms energy: -399.779012 where: bonds (distance) C4'-P energy: -75.615 bonds (distance) P-C4' energy: -79.372 flat angles C4'-P-C4' energy: -84.759 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -108.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1123.774290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.774290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.774290 (E_RNA) where: Base-Base interactions energy: -733.571 where: short stacking energy: -316.229 Base-Backbone interact. energy: -1.704 local terms energy: -388.499069 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -71.066 flat angles C4'-P-C4' energy: -84.718 flat angles P-C4'-P energy: -43.785 tors. eta vs tors. theta energy: -101.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1048.069516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.069516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.069516 (E_RNA) where: Base-Base interactions energy: -687.423 where: short stacking energy: -306.205 Base-Backbone interact. energy: -0.129 local terms energy: -360.517700 where: bonds (distance) C4'-P energy: -68.615 bonds (distance) P-C4' energy: -68.581 flat angles C4'-P-C4' energy: -90.953 flat angles P-C4'-P energy: -38.691 tors. eta vs tors. theta energy: -93.677 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: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -833.782330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.782330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.782330 (E_RNA) where: Base-Base interactions energy: -526.113 where: short stacking energy: -242.091 Base-Backbone interact. energy: 0.170 local terms energy: -307.839299 where: bonds (distance) C4'-P energy: -66.226 bonds (distance) P-C4' energy: -64.063 flat angles C4'-P-C4' energy: -65.535 flat angles P-C4'-P energy: -55.209 tors. eta vs tors. theta energy: -56.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -714.636504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.636504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.636504 (E_RNA) where: Base-Base interactions energy: -429.631 where: short stacking energy: -201.106 Base-Backbone interact. energy: 3.233 local terms energy: -288.238993 where: bonds (distance) C4'-P energy: -62.237 bonds (distance) P-C4' energy: -73.910 flat angles C4'-P-C4' energy: -56.903 flat angles P-C4'-P energy: -45.403 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: 8, replica: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -610.795745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.795745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.795745 (E_RNA) where: Base-Base interactions energy: -364.546 where: short stacking energy: -169.963 Base-Backbone interact. energy: 0.177 local terms energy: -246.426780 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -65.744 flat angles C4'-P-C4' energy: -49.200 flat angles P-C4'-P energy: -31.641 tors. eta vs tors. theta energy: -33.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -329.024540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.024540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.024540 (E_RNA) where: Base-Base interactions energy: -106.457 where: short stacking energy: -87.606 Base-Backbone interact. energy: 0.072 local terms energy: -222.639900 where: bonds (distance) C4'-P energy: -68.674 bonds (distance) P-C4' energy: -62.008 flat angles C4'-P-C4' energy: -58.049 flat angles P-C4'-P energy: -41.290 tors. eta vs tors. theta energy: 7.380 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: 10, replica: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -290.307572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.307572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.307572 (E_RNA) where: Base-Base interactions energy: -101.974 where: short stacking energy: -81.036 Base-Backbone interact. energy: 2.544 local terms energy: -190.877288 where: bonds (distance) C4'-P energy: -52.327 bonds (distance) P-C4' energy: -85.487 flat angles C4'-P-C4' energy: -45.976 flat angles P-C4'-P energy: -31.665 tors. eta vs tors. theta energy: 24.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1358.676233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.676233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.676233 (E_RNA) where: Base-Base interactions energy: -935.625 where: short stacking energy: -393.715 Base-Backbone interact. energy: -2.615 local terms energy: -420.435993 where: bonds (distance) C4'-P energy: -77.359 bonds (distance) P-C4' energy: -84.679 flat angles C4'-P-C4' energy: -85.817 flat angles P-C4'-P energy: -60.205 tors. eta vs tors. theta energy: -112.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1188.623315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.623315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.623315 (E_RNA) where: Base-Base interactions energy: -789.323 where: short stacking energy: -348.699 Base-Backbone interact. energy: -1.667 local terms energy: -397.634033 where: bonds (distance) C4'-P energy: -83.138 bonds (distance) P-C4' energy: -72.175 flat angles C4'-P-C4' energy: -86.754 flat angles P-C4'-P energy: -58.000 tors. eta vs tors. theta energy: -97.566 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: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1194.545615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.545615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.545615 (E_RNA) where: Base-Base interactions energy: -775.442 where: short stacking energy: -343.251 Base-Backbone interact. energy: -0.274 local terms energy: -418.828633 where: bonds (distance) C4'-P energy: -84.359 bonds (distance) P-C4' energy: -85.936 flat angles C4'-P-C4' energy: -86.620 flat angles P-C4'-P energy: -60.628 tors. eta vs tors. theta energy: -101.285 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: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1081.531029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.531029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.531029 (E_RNA) where: Base-Base interactions energy: -704.983 where: short stacking energy: -276.840 Base-Backbone interact. energy: -1.344 local terms energy: -375.203411 where: bonds (distance) C4'-P energy: -75.850 bonds (distance) P-C4' energy: -80.414 flat angles C4'-P-C4' energy: -82.476 flat angles P-C4'-P energy: -60.624 tors. eta vs tors. theta energy: -75.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1021.142153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.142153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.142153 (E_RNA) where: Base-Base interactions energy: -648.423 where: short stacking energy: -288.751 Base-Backbone interact. energy: 0.180 local terms energy: -372.898373 where: bonds (distance) C4'-P energy: -84.637 bonds (distance) P-C4' energy: -74.148 flat angles C4'-P-C4' energy: -73.081 flat angles P-C4'-P energy: -55.276 tors. eta vs tors. theta energy: -85.755 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: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -883.135597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.135597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.135597 (E_RNA) where: Base-Base interactions energy: -533.299 where: short stacking energy: -232.502 Base-Backbone interact. energy: -0.687 local terms energy: -349.149200 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -75.731 flat angles C4'-P-C4' energy: -79.743 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -67.947 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: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -699.563348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.563348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.563348 (E_RNA) where: Base-Base interactions energy: -396.451 where: short stacking energy: -185.548 Base-Backbone interact. energy: -1.652 local terms energy: -301.460382 where: bonds (distance) C4'-P energy: -76.766 bonds (distance) P-C4' energy: -80.606 flat angles C4'-P-C4' energy: -65.330 flat angles P-C4'-P energy: -53.862 tors. eta vs tors. theta energy: -24.897 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: 8, replica: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -604.047513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.047513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.047513 (E_RNA) where: Base-Base interactions energy: -341.270 where: short stacking energy: -160.983 Base-Backbone interact. energy: -0.412 local terms energy: -262.365578 where: bonds (distance) C4'-P energy: -67.485 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -60.913 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: -29.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -324.460356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.460356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.460356 (E_RNA) where: Base-Base interactions energy: -102.570 where: short stacking energy: -72.847 Base-Backbone interact. energy: -1.992 local terms energy: -219.898954 where: bonds (distance) C4'-P energy: -70.695 bonds (distance) P-C4' energy: -61.432 flat angles C4'-P-C4' energy: -68.918 flat angles P-C4'-P energy: -28.115 tors. eta vs tors. theta energy: 9.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -298.700553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.700553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.700553 (E_RNA) where: Base-Base interactions energy: -104.284 where: short stacking energy: -89.340 Base-Backbone interact. energy: 0.166 local terms energy: -194.582297 where: bonds (distance) C4'-P energy: -62.881 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -41.001 flat angles P-C4'-P energy: -33.200 tors. eta vs tors. theta energy: 14.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1350.186434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.186434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.186434 (E_RNA) where: Base-Base interactions energy: -931.181 where: short stacking energy: -393.843 Base-Backbone interact. energy: -2.578 local terms energy: -416.427056 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -64.704 flat angles C4'-P-C4' energy: -94.154 flat angles P-C4'-P energy: -55.544 tors. eta vs tors. theta energy: -114.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1201.691814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.691814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.691814 (E_RNA) where: Base-Base interactions energy: -805.147 where: short stacking energy: -355.894 Base-Backbone interact. energy: -0.722 local terms energy: -395.822928 where: bonds (distance) C4'-P energy: -83.572 bonds (distance) P-C4' energy: -82.647 flat angles C4'-P-C4' energy: -84.930 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: -98.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1221.822562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.822562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.822562 (E_RNA) where: Base-Base interactions energy: -802.312 where: short stacking energy: -344.783 Base-Backbone interact. energy: -0.931 local terms energy: -418.579179 where: bonds (distance) C4'-P energy: -81.829 bonds (distance) P-C4' energy: -78.347 flat angles C4'-P-C4' energy: -88.964 flat angles P-C4'-P energy: -60.643 tors. eta vs tors. theta energy: -108.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1105.899364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.899364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.899364 (E_RNA) where: Base-Base interactions energy: -756.363 where: short stacking energy: -325.548 Base-Backbone interact. energy: -1.662 local terms energy: -347.874399 where: bonds (distance) C4'-P energy: -51.364 bonds (distance) P-C4' energy: -75.568 flat angles C4'-P-C4' energy: -81.879 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -83.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -968.074966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.074966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.074966 (E_RNA) where: Base-Base interactions energy: -607.747 where: short stacking energy: -290.771 Base-Backbone interact. energy: -0.317 local terms energy: -360.010659 where: bonds (distance) C4'-P energy: -70.695 bonds (distance) P-C4' energy: -79.241 flat angles C4'-P-C4' energy: -73.527 flat angles P-C4'-P energy: -57.664 tors. eta vs tors. theta energy: -78.883 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: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -897.705084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.705084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.705084 (E_RNA) where: Base-Base interactions energy: -578.882 where: short stacking energy: -255.996 Base-Backbone interact. energy: -1.116 local terms energy: -317.707087 where: bonds (distance) C4'-P energy: -62.804 bonds (distance) P-C4' energy: -83.284 flat angles C4'-P-C4' energy: -67.419 flat angles P-C4'-P energy: -37.319 tors. eta vs tors. theta energy: -66.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -680.073500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.073500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.073500 (E_RNA) where: Base-Base interactions energy: -412.400 where: short stacking energy: -192.910 Base-Backbone interact. energy: -1.881 local terms energy: -265.792381 where: bonds (distance) C4'-P energy: -57.540 bonds (distance) P-C4' energy: -69.318 flat angles C4'-P-C4' energy: -70.253 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -23.661 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: 2 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -566.971477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.971477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.971477 (E_RNA) where: Base-Base interactions energy: -331.384 where: short stacking energy: -159.170 Base-Backbone interact. energy: 0.206 local terms energy: -235.793787 where: bonds (distance) C4'-P energy: -55.489 bonds (distance) P-C4' energy: -63.539 flat angles C4'-P-C4' energy: -67.449 flat angles P-C4'-P energy: -28.628 tors. eta vs tors. theta energy: -20.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -330.183433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.183433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.183433 (E_RNA) where: Base-Base interactions energy: -136.231 where: short stacking energy: -105.598 Base-Backbone interact. energy: 0.430 local terms energy: -194.382473 where: bonds (distance) C4'-P energy: -53.498 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -49.720 flat angles P-C4'-P energy: -33.880 tors. eta vs tors. theta energy: 8.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -330.915668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.915668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.915668 (E_RNA) where: Base-Base interactions energy: -87.837 where: short stacking energy: -71.294 Base-Backbone interact. energy: -0.565 local terms energy: -242.514228 where: bonds (distance) C4'-P energy: -60.657 bonds (distance) P-C4' energy: -71.120 flat angles C4'-P-C4' energy: -64.855 flat angles P-C4'-P energy: -50.024 tors. eta vs tors. theta energy: 4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1352.187270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.187270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.187270 (E_RNA) where: Base-Base interactions energy: -931.857 where: short stacking energy: -379.096 Base-Backbone interact. energy: -1.705 local terms energy: -418.625568 where: bonds (distance) C4'-P energy: -77.725 bonds (distance) P-C4' energy: -76.885 flat angles C4'-P-C4' energy: -82.346 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -116.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1244.759235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.759235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.759235 (E_RNA) where: Base-Base interactions energy: -817.489 where: short stacking energy: -372.638 Base-Backbone interact. energy: -2.051 local terms energy: -425.219780 where: bonds (distance) C4'-P energy: -85.115 bonds (distance) P-C4' energy: -75.495 flat angles C4'-P-C4' energy: -93.985 flat angles P-C4'-P energy: -50.100 tors. eta vs tors. theta energy: -120.525 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: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1166.332357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.332357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.332357 (E_RNA) where: Base-Base interactions energy: -772.968 where: short stacking energy: -330.164 Base-Backbone interact. energy: -1.553 local terms energy: -391.811341 where: bonds (distance) C4'-P energy: -80.551 bonds (distance) P-C4' energy: -67.450 flat angles C4'-P-C4' energy: -84.328 flat angles P-C4'-P energy: -60.110 tors. eta vs tors. theta energy: -99.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1124.337357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.337357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.337357 (E_RNA) where: Base-Base interactions energy: -756.394 where: short stacking energy: -325.005 Base-Backbone interact. energy: -0.095 local terms energy: -367.847900 where: bonds (distance) C4'-P energy: -68.615 bonds (distance) P-C4' energy: -77.087 flat angles C4'-P-C4' energy: -74.168 flat angles P-C4'-P energy: -48.871 tors. eta vs tors. theta energy: -99.107 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: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -990.447803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.447803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.447803 (E_RNA) where: Base-Base interactions energy: -629.901 where: short stacking energy: -267.990 Base-Backbone interact. energy: -5.051 local terms energy: -355.496018 where: bonds (distance) C4'-P energy: -70.492 bonds (distance) P-C4' energy: -72.529 flat angles C4'-P-C4' energy: -84.815 flat angles P-C4'-P energy: -50.248 tors. eta vs tors. theta energy: -77.413 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: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -811.324085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.324085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.324085 (E_RNA) where: Base-Base interactions energy: -496.410 where: short stacking energy: -240.415 Base-Backbone interact. energy: 3.701 local terms energy: -318.614932 where: bonds (distance) C4'-P energy: -70.836 bonds (distance) P-C4' energy: -78.953 flat angles C4'-P-C4' energy: -71.204 flat angles P-C4'-P energy: -39.172 tors. eta vs tors. theta energy: -58.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -665.547034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.547034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.547034 (E_RNA) where: Base-Base interactions energy: -385.554 where: short stacking energy: -169.346 Base-Backbone interact. energy: -1.099 local terms energy: -278.894590 where: bonds (distance) C4'-P energy: -60.007 bonds (distance) P-C4' energy: -75.594 flat angles C4'-P-C4' energy: -67.662 flat angles P-C4'-P energy: -51.684 tors. eta vs tors. theta energy: -23.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -557.958654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.958654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.958654 (E_RNA) where: Base-Base interactions energy: -292.376 where: short stacking energy: -150.176 Base-Backbone interact. energy: -3.091 local terms energy: -262.492111 where: bonds (distance) C4'-P energy: -69.893 bonds (distance) P-C4' energy: -64.647 flat angles C4'-P-C4' energy: -68.471 flat angles P-C4'-P energy: -45.690 tors. eta vs tors. theta energy: -13.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -347.656616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.656616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.656616 (E_RNA) where: Base-Base interactions energy: -140.193 where: short stacking energy: -94.966 Base-Backbone interact. energy: 0.938 local terms energy: -208.401507 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -47.773 flat angles P-C4'-P energy: -30.487 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -347.307724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.307724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.307724 (E_RNA) where: Base-Base interactions energy: -129.305 where: short stacking energy: -116.342 Base-Backbone interact. energy: -2.096 local terms energy: -215.906800 where: bonds (distance) C4'-P energy: -61.092 bonds (distance) P-C4' energy: -69.168 flat angles C4'-P-C4' energy: -51.274 flat angles P-C4'-P energy: -38.353 tors. eta vs tors. theta energy: 3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1349.093243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.093243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.093243 (E_RNA) where: Base-Base interactions energy: -925.964 where: short stacking energy: -390.451 Base-Backbone interact. energy: 2.056 local terms energy: -425.185963 where: bonds (distance) C4'-P energy: -72.836 bonds (distance) P-C4' energy: -83.822 flat angles C4'-P-C4' energy: -88.492 flat angles P-C4'-P energy: -64.609 tors. eta vs tors. theta energy: -115.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1237.118313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.118313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.118313 (E_RNA) where: Base-Base interactions energy: -814.123 where: short stacking energy: -365.627 Base-Backbone interact. energy: -2.085 local terms energy: -420.910754 where: bonds (distance) C4'-P energy: -71.893 bonds (distance) P-C4' energy: -85.897 flat angles C4'-P-C4' energy: -86.634 flat angles P-C4'-P energy: -63.002 tors. eta vs tors. theta energy: -113.484 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: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1169.296114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.296114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.296114 (E_RNA) where: Base-Base interactions energy: -779.447 where: short stacking energy: -331.773 Base-Backbone interact. energy: -0.612 local terms energy: -389.237017 where: bonds (distance) C4'-P energy: -73.677 bonds (distance) P-C4' energy: -77.173 flat angles C4'-P-C4' energy: -85.296 flat angles P-C4'-P energy: -55.161 tors. eta vs tors. theta energy: -97.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1142.442079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.442079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.442079 (E_RNA) where: Base-Base interactions energy: -759.314 where: short stacking energy: -338.721 Base-Backbone interact. energy: -2.824 local terms energy: -380.303544 where: bonds (distance) C4'-P energy: -70.817 bonds (distance) P-C4' energy: -74.332 flat angles C4'-P-C4' energy: -82.835 flat angles P-C4'-P energy: -55.420 tors. eta vs tors. theta energy: -96.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -991.437092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.437092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.437092 (E_RNA) where: Base-Base interactions energy: -637.108 where: short stacking energy: -271.687 Base-Backbone interact. energy: -1.147 local terms energy: -353.182437 where: bonds (distance) C4'-P energy: -71.280 bonds (distance) P-C4' energy: -78.232 flat angles C4'-P-C4' energy: -76.038 flat angles P-C4'-P energy: -58.483 tors. eta vs tors. theta energy: -69.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -742.277587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.277587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.277587 (E_RNA) where: Base-Base interactions energy: -447.163 where: short stacking energy: -213.407 Base-Backbone interact. energy: -0.178 local terms energy: -294.936359 where: bonds (distance) C4'-P energy: -66.317 bonds (distance) P-C4' energy: -65.284 flat angles C4'-P-C4' energy: -79.957 flat angles P-C4'-P energy: -47.102 tors. eta vs tors. theta energy: -36.276 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: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -654.076823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.076823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.076823 (E_RNA) where: Base-Base interactions energy: -370.902 where: short stacking energy: -164.598 Base-Backbone interact. energy: -2.388 local terms energy: -280.786907 where: bonds (distance) C4'-P energy: -72.588 bonds (distance) P-C4' energy: -76.700 flat angles C4'-P-C4' energy: -66.525 flat angles P-C4'-P energy: -49.191 tors. eta vs tors. theta energy: -15.782 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: 2 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -499.533644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.533644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.533644 (E_RNA) where: Base-Base interactions energy: -245.164 where: short stacking energy: -134.154 Base-Backbone interact. energy: -1.231 local terms energy: -253.138850 where: bonds (distance) C4'-P energy: -53.603 bonds (distance) P-C4' energy: -82.191 flat angles C4'-P-C4' energy: -68.795 flat angles P-C4'-P energy: -40.176 tors. eta vs tors. theta energy: -8.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -340.571630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.571630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.571630 (E_RNA) where: Base-Base interactions energy: -128.279 where: short stacking energy: -97.267 Base-Backbone interact. energy: 0.345 local terms energy: -212.637424 where: bonds (distance) C4'-P energy: -51.152 bonds (distance) P-C4' energy: -71.441 flat angles C4'-P-C4' energy: -54.963 flat angles P-C4'-P energy: -36.397 tors. eta vs tors. theta energy: 1.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -341.090148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.090148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.090148 (E_RNA) where: Base-Base interactions energy: -144.842 where: short stacking energy: -118.903 Base-Backbone interact. energy: -1.577 local terms energy: -194.670447 where: bonds (distance) C4'-P energy: -54.973 bonds (distance) P-C4' energy: -55.500 flat angles C4'-P-C4' energy: -58.426 flat angles P-C4'-P energy: -29.796 tors. eta vs tors. theta energy: 4.025 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: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1354.760373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.760373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.760373 (E_RNA) where: Base-Base interactions energy: -916.547 where: short stacking energy: -370.343 Base-Backbone interact. energy: -2.250 local terms energy: -435.964025 where: bonds (distance) C4'-P energy: -87.657 bonds (distance) P-C4' energy: -80.622 flat angles C4'-P-C4' energy: -90.525 flat angles P-C4'-P energy: -64.587 tors. eta vs tors. theta energy: -112.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1183.452181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.452181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.452181 (E_RNA) where: Base-Base interactions energy: -785.734 where: short stacking energy: -340.296 Base-Backbone interact. energy: -0.674 local terms energy: -397.044212 where: bonds (distance) C4'-P energy: -72.178 bonds (distance) P-C4' energy: -74.649 flat angles C4'-P-C4' energy: -92.287 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: -96.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1209.602201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.602201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.602201 (E_RNA) where: Base-Base interactions energy: -806.350 where: short stacking energy: -377.763 Base-Backbone interact. energy: -0.659 local terms energy: -402.592961 where: bonds (distance) C4'-P energy: -73.897 bonds (distance) P-C4' energy: -76.309 flat angles C4'-P-C4' energy: -78.899 flat angles P-C4'-P energy: -58.682 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: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1170.579014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.579014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.579014 (E_RNA) where: Base-Base interactions energy: -769.065 where: short stacking energy: -330.308 Base-Backbone interact. energy: -3.027 local terms energy: -398.487311 where: bonds (distance) C4'-P energy: -71.838 bonds (distance) P-C4' energy: -86.303 flat angles C4'-P-C4' energy: -81.020 flat angles P-C4'-P energy: -54.974 tors. eta vs tors. theta energy: -104.352 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: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -973.897112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.897112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.897112 (E_RNA) where: Base-Base interactions energy: -632.163 where: short stacking energy: -267.212 Base-Backbone interact. energy: 5.910 local terms energy: -347.643697 where: bonds (distance) C4'-P energy: -66.418 bonds (distance) P-C4' energy: -81.064 flat angles C4'-P-C4' energy: -74.033 flat angles P-C4'-P energy: -45.097 tors. eta vs tors. theta energy: -81.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -770.056167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.056167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.056167 (E_RNA) where: Base-Base interactions energy: -481.619 where: short stacking energy: -238.516 Base-Backbone interact. energy: -0.920 local terms energy: -287.516498 where: bonds (distance) C4'-P energy: -62.705 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -74.128 flat angles P-C4'-P energy: -40.042 tors. eta vs tors. theta energy: -46.327 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: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -648.528297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.528297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.528297 (E_RNA) where: Base-Base interactions energy: -356.242 where: short stacking energy: -176.937 Base-Backbone interact. energy: -0.208 local terms energy: -292.078493 where: bonds (distance) C4'-P energy: -72.012 bonds (distance) P-C4' energy: -86.463 flat angles C4'-P-C4' energy: -68.334 flat angles P-C4'-P energy: -45.204 tors. eta vs tors. theta energy: -20.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -478.789433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.789433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.789433 (E_RNA) where: Base-Base interactions energy: -246.064 where: short stacking energy: -128.497 Base-Backbone interact. energy: 0.087 local terms energy: -232.812532 where: bonds (distance) C4'-P energy: -70.353 bonds (distance) P-C4' energy: -76.116 flat angles C4'-P-C4' energy: -45.945 flat angles P-C4'-P energy: -39.396 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -398.296476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.296476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.296476 (E_RNA) where: Base-Base interactions energy: -180.267 where: short stacking energy: -91.750 Base-Backbone interact. energy: 2.959 local terms energy: -220.988594 where: bonds (distance) C4'-P energy: -70.360 bonds (distance) P-C4' energy: -49.473 flat angles C4'-P-C4' energy: -60.097 flat angles P-C4'-P energy: -44.288 tors. eta vs tors. theta energy: 3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -304.742159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.742159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.742159 (E_RNA) where: Base-Base interactions energy: -99.346 where: short stacking energy: -79.785 Base-Backbone interact. energy: 4.113 local terms energy: -209.509448 where: bonds (distance) C4'-P energy: -67.559 bonds (distance) P-C4' energy: -73.823 flat angles C4'-P-C4' energy: -37.053 flat angles P-C4'-P energy: -34.221 tors. eta vs tors. theta energy: 3.147 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: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1353.227527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.227527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.227527 (E_RNA) where: Base-Base interactions energy: -933.840 where: short stacking energy: -402.520 Base-Backbone interact. energy: 2.411 local terms energy: -421.798811 where: bonds (distance) C4'-P energy: -85.363 bonds (distance) P-C4' energy: -75.814 flat angles C4'-P-C4' energy: -87.614 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: -113.754 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: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1228.587092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.587092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.587092 (E_RNA) where: Base-Base interactions energy: -827.291 where: short stacking energy: -351.218 Base-Backbone interact. energy: -1.809 local terms energy: -399.487937 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -83.213 flat angles C4'-P-C4' energy: -91.140 flat angles P-C4'-P energy: -54.453 tors. eta vs tors. theta energy: -104.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1214.278185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.278185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.278185 (E_RNA) where: Base-Base interactions energy: -806.060 where: short stacking energy: -363.497 Base-Backbone interact. energy: 2.240 local terms energy: -410.457805 where: bonds (distance) C4'-P energy: -81.344 bonds (distance) P-C4' energy: -70.942 flat angles C4'-P-C4' energy: -88.194 flat angles P-C4'-P energy: -50.481 tors. eta vs tors. theta energy: -119.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1186.765105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.765105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.765105 (E_RNA) where: Base-Base interactions energy: -792.513 where: short stacking energy: -350.899 Base-Backbone interact. energy: 1.581 local terms energy: -395.833036 where: bonds (distance) C4'-P energy: -76.570 bonds (distance) P-C4' energy: -78.779 flat angles C4'-P-C4' energy: -86.584 flat angles P-C4'-P energy: -59.187 tors. eta vs tors. theta energy: -94.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -979.774508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.774508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.774508 (E_RNA) where: Base-Base interactions energy: -615.527 where: short stacking energy: -278.180 Base-Backbone interact. energy: 4.350 local terms energy: -368.596617 where: bonds (distance) C4'-P energy: -78.360 bonds (distance) P-C4' energy: -85.700 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -52.961 tors. eta vs tors. theta energy: -72.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -838.590131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.590131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.590131 (E_RNA) where: Base-Base interactions energy: -518.180 where: short stacking energy: -242.168 Base-Backbone interact. energy: 1.595 local terms energy: -322.005965 where: bonds (distance) C4'-P energy: -68.423 bonds (distance) P-C4' energy: -92.815 flat angles C4'-P-C4' energy: -61.433 flat angles P-C4'-P energy: -46.874 tors. eta vs tors. theta energy: -52.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -680.672088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.672088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.672088 (E_RNA) where: Base-Base interactions energy: -423.259 where: short stacking energy: -212.781 Base-Backbone interact. energy: 0.570 local terms energy: -257.982517 where: bonds (distance) C4'-P energy: -50.791 bonds (distance) P-C4' energy: -54.776 flat angles C4'-P-C4' energy: -62.182 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -39.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -507.646919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.646919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.646919 (E_RNA) where: Base-Base interactions energy: -245.675 where: short stacking energy: -129.388 Base-Backbone interact. energy: -0.418 local terms energy: -261.553845 where: bonds (distance) C4'-P energy: -75.850 bonds (distance) P-C4' energy: -69.325 flat angles C4'-P-C4' energy: -59.084 flat angles P-C4'-P energy: -55.784 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -357.441703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.441703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.441703 (E_RNA) where: Base-Base interactions energy: -134.543 where: short stacking energy: -109.418 Base-Backbone interact. energy: -2.878 local terms energy: -220.021118 where: bonds (distance) C4'-P energy: -56.166 bonds (distance) P-C4' energy: -64.827 flat angles C4'-P-C4' energy: -59.851 flat angles P-C4'-P energy: -28.767 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -367.349693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.349693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.349693 (E_RNA) where: Base-Base interactions energy: -152.692 where: short stacking energy: -82.024 Base-Backbone interact. energy: -1.665 local terms energy: -212.992436 where: bonds (distance) C4'-P energy: -65.803 bonds (distance) P-C4' energy: -58.930 flat angles C4'-P-C4' energy: -55.023 flat angles P-C4'-P energy: -38.412 tors. eta vs tors. theta energy: 5.175 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: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1337.525795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.525795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.525795 (E_RNA) where: Base-Base interactions energy: -909.544 where: short stacking energy: -381.879 Base-Backbone interact. energy: -0.528 local terms energy: -427.454398 where: bonds (distance) C4'-P energy: -78.371 bonds (distance) P-C4' energy: -87.092 flat angles C4'-P-C4' energy: -91.733 flat angles P-C4'-P energy: -58.636 tors. eta vs tors. theta energy: -111.622 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: 8 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1223.690875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.690875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.690875 (E_RNA) where: Base-Base interactions energy: -828.619 where: short stacking energy: -336.539 Base-Backbone interact. energy: -0.898 local terms energy: -394.173782 where: bonds (distance) C4'-P energy: -69.374 bonds (distance) P-C4' energy: -81.921 flat angles C4'-P-C4' energy: -83.910 flat angles P-C4'-P energy: -62.286 tors. eta vs tors. theta energy: -96.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1202.456526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.456526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.456526 (E_RNA) where: Base-Base interactions energy: -788.452 where: short stacking energy: -348.701 Base-Backbone interact. energy: -1.644 local terms energy: -412.360556 where: bonds (distance) C4'-P energy: -77.515 bonds (distance) P-C4' energy: -79.175 flat angles C4'-P-C4' energy: -80.402 flat angles P-C4'-P energy: -61.089 tors. eta vs tors. theta energy: -114.179 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: 297 Temperature: 1.050000 Total energy: -1190.251561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.251561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.251561 (E_RNA) where: Base-Base interactions energy: -807.543 where: short stacking energy: -355.798 Base-Backbone interact. energy: 2.260 local terms energy: -384.969203 where: bonds (distance) C4'-P energy: -64.771 bonds (distance) P-C4' energy: -79.093 flat angles C4'-P-C4' energy: -83.997 flat angles P-C4'-P energy: -56.933 tors. eta vs tors. theta energy: -100.175 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: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -982.451031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.451031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.451031 (E_RNA) where: Base-Base interactions energy: -631.252 where: short stacking energy: -289.683 Base-Backbone interact. energy: 0.212 local terms energy: -351.410992 where: bonds (distance) C4'-P energy: -75.585 bonds (distance) P-C4' energy: -66.641 flat angles C4'-P-C4' energy: -77.596 flat angles P-C4'-P energy: -58.170 tors. eta vs tors. theta energy: -73.419 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: 7 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -834.682735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.682735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.682735 (E_RNA) where: Base-Base interactions energy: -513.083 where: short stacking energy: -241.216 Base-Backbone interact. energy: 0.156 local terms energy: -321.755537 where: bonds (distance) C4'-P energy: -67.290 bonds (distance) P-C4' energy: -82.780 flat angles C4'-P-C4' energy: -66.446 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -57.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -725.444052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.444052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.444052 (E_RNA) where: Base-Base interactions energy: -468.612 where: short stacking energy: -192.361 Base-Backbone interact. energy: -3.369 local terms energy: -253.462576 where: bonds (distance) C4'-P energy: -52.663 bonds (distance) P-C4' energy: -67.115 flat angles C4'-P-C4' energy: -66.133 flat angles P-C4'-P energy: -29.493 tors. eta vs tors. theta energy: -38.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -509.638100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.638100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.638100 (E_RNA) where: Base-Base interactions energy: -276.316 where: short stacking energy: -158.047 Base-Backbone interact. energy: 2.395 local terms energy: -235.717026 where: bonds (distance) C4'-P energy: -58.245 bonds (distance) P-C4' energy: -75.711 flat angles C4'-P-C4' energy: -46.071 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -15.821 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: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -339.405205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.405205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.405205 (E_RNA) where: Base-Base interactions energy: -110.088 where: short stacking energy: -82.944 Base-Backbone interact. energy: 0.538 local terms energy: -229.855867 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -61.784 flat angles C4'-P-C4' energy: -57.170 flat angles P-C4'-P energy: -41.819 tors. eta vs tors. theta energy: 4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -335.252773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.252773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.252773 (E_RNA) where: Base-Base interactions energy: -131.466 where: short stacking energy: -73.487 Base-Backbone interact. energy: 2.316 local terms energy: -206.102335 where: bonds (distance) C4'-P energy: -58.576 bonds (distance) P-C4' energy: -64.587 flat angles C4'-P-C4' energy: -73.682 flat angles P-C4'-P energy: -29.251 tors. eta vs tors. theta energy: 19.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1326.110396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.110396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.110396 (E_RNA) where: Base-Base interactions energy: -902.186 where: short stacking energy: -386.761 Base-Backbone interact. energy: -0.258 local terms energy: -423.666433 where: bonds (distance) C4'-P energy: -70.452 bonds (distance) P-C4' energy: -82.523 flat angles C4'-P-C4' energy: -89.979 flat angles P-C4'-P energy: -59.286 tors. eta vs tors. theta energy: -121.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1195.209426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.209426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.209426 (E_RNA) where: Base-Base interactions energy: -805.868 where: short stacking energy: -347.201 Base-Backbone interact. energy: -1.179 local terms energy: -388.161673 where: bonds (distance) C4'-P energy: -75.153 bonds (distance) P-C4' energy: -71.545 flat angles C4'-P-C4' energy: -87.828 flat angles P-C4'-P energy: -54.815 tors. eta vs tors. theta energy: -98.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1223.173968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.173968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.173968 (E_RNA) where: Base-Base interactions energy: -839.585 where: short stacking energy: -370.015 Base-Backbone interact. energy: -2.038 local terms energy: -381.550392 where: bonds (distance) C4'-P energy: -72.139 bonds (distance) P-C4' energy: -68.908 flat angles C4'-P-C4' energy: -86.894 flat angles P-C4'-P energy: -47.951 tors. eta vs tors. theta energy: -105.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1154.635173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.635173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.635173 (E_RNA) where: Base-Base interactions energy: -754.217 where: short stacking energy: -319.757 Base-Backbone interact. energy: -3.350 local terms energy: -397.067908 where: bonds (distance) C4'-P energy: -78.913 bonds (distance) P-C4' energy: -66.015 flat angles C4'-P-C4' energy: -87.938 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: -102.276 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: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -954.082292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.082292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.082292 (E_RNA) where: Base-Base interactions energy: -612.304 where: short stacking energy: -267.959 Base-Backbone interact. energy: -0.166 local terms energy: -341.612325 where: bonds (distance) C4'-P energy: -76.604 bonds (distance) P-C4' energy: -63.418 flat angles C4'-P-C4' energy: -84.614 flat angles P-C4'-P energy: -44.846 tors. eta vs tors. theta energy: -72.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -815.431203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.431203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.431203 (E_RNA) where: Base-Base interactions energy: -503.625 where: short stacking energy: -246.753 Base-Backbone interact. energy: -0.529 local terms energy: -311.277021 where: bonds (distance) C4'-P energy: -58.463 bonds (distance) P-C4' energy: -71.375 flat angles C4'-P-C4' energy: -81.805 flat angles P-C4'-P energy: -37.336 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: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -776.926424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.926424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.926424 (E_RNA) where: Base-Base interactions energy: -481.569 where: short stacking energy: -205.537 Base-Backbone interact. energy: -3.069 local terms energy: -292.288513 where: bonds (distance) C4'-P energy: -62.681 bonds (distance) P-C4' energy: -72.788 flat angles C4'-P-C4' energy: -70.794 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -41.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -557.066558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.066558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.066558 (E_RNA) where: Base-Base interactions energy: -295.849 where: short stacking energy: -167.960 Base-Backbone interact. energy: -1.370 local terms energy: -259.848181 where: bonds (distance) C4'-P energy: -58.174 bonds (distance) P-C4' energy: -75.241 flat angles C4'-P-C4' energy: -65.419 flat angles P-C4'-P energy: -39.968 tors. eta vs tors. theta energy: -21.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -399.270262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.270262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.270262 (E_RNA) where: Base-Base interactions energy: -137.404 where: short stacking energy: -83.073 Base-Backbone interact. energy: -0.883 local terms energy: -260.983566 where: bonds (distance) C4'-P energy: -77.087 bonds (distance) P-C4' energy: -82.643 flat angles C4'-P-C4' energy: -71.304 flat angles P-C4'-P energy: -27.288 tors. eta vs tors. theta energy: -2.661 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: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -329.673824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.673824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.673824 (E_RNA) where: Base-Base interactions energy: -116.990 where: short stacking energy: -96.341 Base-Backbone interact. energy: 0.907 local terms energy: -213.591032 where: bonds (distance) C4'-P energy: -65.323 bonds (distance) P-C4' energy: -59.084 flat angles C4'-P-C4' energy: -62.095 flat angles P-C4'-P energy: -43.194 tors. eta vs tors. theta energy: 16.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1313.884935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.884935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.884935 (E_RNA) where: Base-Base interactions energy: -878.565 where: short stacking energy: -377.872 Base-Backbone interact. energy: 0.760 local terms energy: -436.079395 where: bonds (distance) C4'-P energy: -89.414 bonds (distance) P-C4' energy: -81.794 flat angles C4'-P-C4' energy: -88.659 flat angles P-C4'-P energy: -59.515 tors. eta vs tors. theta energy: -116.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1260.524479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.524479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.524479 (E_RNA) where: Base-Base interactions energy: -842.998 where: short stacking energy: -358.926 Base-Backbone interact. energy: -2.641 local terms energy: -414.885340 where: bonds (distance) C4'-P energy: -83.554 bonds (distance) P-C4' energy: -82.607 flat angles C4'-P-C4' energy: -86.596 flat angles P-C4'-P energy: -58.251 tors. eta vs tors. theta energy: -103.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1182.154542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.154542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.154542 (E_RNA) where: Base-Base interactions energy: -779.797 where: short stacking energy: -343.842 Base-Backbone interact. energy: -3.114 local terms energy: -399.243084 where: bonds (distance) C4'-P energy: -66.417 bonds (distance) P-C4' energy: -75.564 flat angles C4'-P-C4' energy: -95.684 flat angles P-C4'-P energy: -55.321 tors. eta vs tors. theta energy: -106.258 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: 4, replica: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1177.997829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.997829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.997829 (E_RNA) where: Base-Base interactions energy: -773.827 where: short stacking energy: -372.032 Base-Backbone interact. energy: -3.743 local terms energy: -400.427778 where: bonds (distance) C4'-P energy: -78.629 bonds (distance) P-C4' energy: -77.138 flat angles C4'-P-C4' energy: -80.292 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -112.675 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: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -973.897944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.897944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.897944 (E_RNA) where: Base-Base interactions energy: -615.290 where: short stacking energy: -280.102 Base-Backbone interact. energy: -1.246 local terms energy: -357.362722 where: bonds (distance) C4'-P energy: -73.811 bonds (distance) P-C4' energy: -78.211 flat angles C4'-P-C4' energy: -76.465 flat angles P-C4'-P energy: -52.022 tors. eta vs tors. theta energy: -76.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -790.235978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.235978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.235978 (E_RNA) where: Base-Base interactions energy: -491.243 where: short stacking energy: -222.774 Base-Backbone interact. energy: -2.544 local terms energy: -296.449392 where: bonds (distance) C4'-P energy: -69.190 bonds (distance) P-C4' energy: -82.988 flat angles C4'-P-C4' energy: -68.101 flat angles P-C4'-P energy: -38.311 tors. eta vs tors. theta energy: -37.860 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: 299 Temperature: 1.200000 Total energy: -749.661030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.661030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.661030 (E_RNA) where: Base-Base interactions energy: -456.828 where: short stacking energy: -214.696 Base-Backbone interact. energy: 1.852 local terms energy: -294.684306 where: bonds (distance) C4'-P energy: -72.704 bonds (distance) P-C4' energy: -67.849 flat angles C4'-P-C4' energy: -72.844 flat angles P-C4'-P energy: -37.340 tors. eta vs tors. theta energy: -43.946 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: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -550.998825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.998825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.998825 (E_RNA) where: Base-Base interactions energy: -290.740 where: short stacking energy: -144.482 Base-Backbone interact. energy: -2.509 local terms energy: -257.750267 where: bonds (distance) C4'-P energy: -62.845 bonds (distance) P-C4' energy: -78.204 flat angles C4'-P-C4' energy: -56.257 flat angles P-C4'-P energy: -46.347 tors. eta vs tors. theta energy: -14.097 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: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -340.555019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.555019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.555019 (E_RNA) where: Base-Base interactions energy: -113.607 where: short stacking energy: -89.789 Base-Backbone interact. energy: -2.033 local terms energy: -224.915116 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -63.623 flat angles C4'-P-C4' energy: -53.440 flat angles P-C4'-P energy: -33.850 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -324.224915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.224915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.224915 (E_RNA) where: Base-Base interactions energy: -116.270 where: short stacking energy: -80.861 Base-Backbone interact. energy: 1.324 local terms energy: -209.279131 where: bonds (distance) C4'-P energy: -69.057 bonds (distance) P-C4' energy: -67.113 flat angles C4'-P-C4' energy: -42.673 flat angles P-C4'-P energy: -35.650 tors. eta vs tors. theta energy: 5.215 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: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1324.387391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.387391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.387391 (E_RNA) where: Base-Base interactions energy: -895.998 where: short stacking energy: -386.530 Base-Backbone interact. energy: -0.385 local terms energy: -428.004538 where: bonds (distance) C4'-P energy: -84.524 bonds (distance) P-C4' energy: -84.995 flat angles C4'-P-C4' energy: -82.533 flat angles P-C4'-P energy: -67.399 tors. eta vs tors. theta energy: -108.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1254.757273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.757273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.757273 (E_RNA) where: Base-Base interactions energy: -851.044 where: short stacking energy: -347.040 Base-Backbone interact. energy: -0.945 local terms energy: -402.769204 where: bonds (distance) C4'-P energy: -82.524 bonds (distance) P-C4' energy: -78.574 flat angles C4'-P-C4' energy: -74.072 flat angles P-C4'-P energy: -63.136 tors. eta vs tors. theta energy: -104.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1228.781166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.781166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.781166 (E_RNA) where: Base-Base interactions energy: -810.147 where: short stacking energy: -375.237 Base-Backbone interact. energy: -0.922 local terms energy: -417.712522 where: bonds (distance) C4'-P energy: -72.669 bonds (distance) P-C4' energy: -74.951 flat angles C4'-P-C4' energy: -84.197 flat angles P-C4'-P energy: -64.674 tors. eta vs tors. theta energy: -121.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1102.257585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.257585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.257585 (E_RNA) where: Base-Base interactions energy: -710.825 where: short stacking energy: -324.819 Base-Backbone interact. energy: 0.569 local terms energy: -392.001878 where: bonds (distance) C4'-P energy: -75.352 bonds (distance) P-C4' energy: -65.275 flat angles C4'-P-C4' energy: -94.405 flat angles P-C4'-P energy: -59.668 tors. eta vs tors. theta energy: -97.302 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: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1015.957257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.957257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.957257 (E_RNA) where: Base-Base interactions energy: -645.177 where: short stacking energy: -288.210 Base-Backbone interact. energy: -2.433 local terms energy: -368.347682 where: bonds (distance) C4'-P energy: -70.537 bonds (distance) P-C4' energy: -69.841 flat angles C4'-P-C4' energy: -87.531 flat angles P-C4'-P energy: -53.610 tors. eta vs tors. theta energy: -86.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -806.252097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.252097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.252097 (E_RNA) where: Base-Base interactions energy: -478.942 where: short stacking energy: -244.837 Base-Backbone interact. energy: 0.693 local terms energy: -328.003439 where: bonds (distance) C4'-P energy: -59.608 bonds (distance) P-C4' energy: -76.065 flat angles C4'-P-C4' energy: -84.069 flat angles P-C4'-P energy: -49.458 tors. eta vs tors. theta energy: -58.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -725.763799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.763799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.763799 (E_RNA) where: Base-Base interactions energy: -454.391 where: short stacking energy: -226.020 Base-Backbone interact. energy: 4.191 local terms energy: -275.563872 where: bonds (distance) C4'-P energy: -69.068 bonds (distance) P-C4' energy: -54.046 flat angles C4'-P-C4' energy: -62.492 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -39.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -594.132074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.132074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.132074 (E_RNA) where: Base-Base interactions energy: -325.021 where: short stacking energy: -193.745 Base-Backbone interact. energy: 1.943 local terms energy: -271.053937 where: bonds (distance) C4'-P energy: -60.591 bonds (distance) P-C4' energy: -75.168 flat angles C4'-P-C4' energy: -62.878 flat angles P-C4'-P energy: -40.134 tors. eta vs tors. theta energy: -32.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -362.158530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.158530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.158530 (E_RNA) where: Base-Base interactions energy: -145.409 where: short stacking energy: -106.901 Base-Backbone interact. energy: -0.305 local terms energy: -216.445476 where: bonds (distance) C4'-P energy: -52.800 bonds (distance) P-C4' energy: -77.464 flat angles C4'-P-C4' energy: -52.450 flat angles P-C4'-P energy: -33.163 tors. eta vs tors. theta energy: -0.568 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: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -288.004787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.004787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.004787 (E_RNA) where: Base-Base interactions energy: -82.152 where: short stacking energy: -64.697 Base-Backbone interact. energy: -1.421 local terms energy: -204.432094 where: bonds (distance) C4'-P energy: -67.140 bonds (distance) P-C4' energy: -57.846 flat angles C4'-P-C4' energy: -59.246 flat angles P-C4'-P energy: -33.427 tors. eta vs tors. theta energy: 13.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1317.752286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.752286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.752286 (E_RNA) where: Base-Base interactions energy: -868.144 where: short stacking energy: -376.541 Base-Backbone interact. energy: -0.814 local terms energy: -448.794806 where: bonds (distance) C4'-P energy: -85.901 bonds (distance) P-C4' energy: -88.989 flat angles C4'-P-C4' energy: -97.642 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: -113.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1254.723988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.723988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.723988 (E_RNA) where: Base-Base interactions energy: -833.016 where: short stacking energy: -378.642 Base-Backbone interact. energy: -0.635 local terms energy: -421.073295 where: bonds (distance) C4'-P energy: -76.596 bonds (distance) P-C4' energy: -75.316 flat angles C4'-P-C4' energy: -83.393 flat angles P-C4'-P energy: -63.439 tors. eta vs tors. theta energy: -122.329 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: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1238.539789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.539789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.539789 (E_RNA) where: Base-Base interactions energy: -835.420 where: short stacking energy: -316.807 Base-Backbone interact. energy: 4.311 local terms energy: -407.430677 where: bonds (distance) C4'-P energy: -73.562 bonds (distance) P-C4' energy: -89.237 flat angles C4'-P-C4' energy: -82.940 flat angles P-C4'-P energy: -59.430 tors. eta vs tors. theta energy: -102.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1108.118267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.118267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.118267 (E_RNA) where: Base-Base interactions energy: -739.647 where: short stacking energy: -297.094 Base-Backbone interact. energy: -0.392 local terms energy: -368.079202 where: bonds (distance) C4'-P energy: -83.152 bonds (distance) P-C4' energy: -72.387 flat angles C4'-P-C4' energy: -72.266 flat angles P-C4'-P energy: -62.200 tors. eta vs tors. theta energy: -78.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -965.725372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.725372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.725372 (E_RNA) where: Base-Base interactions energy: -625.410 where: short stacking energy: -284.724 Base-Backbone interact. energy: -3.170 local terms energy: -337.144871 where: bonds (distance) C4'-P energy: -63.773 bonds (distance) P-C4' energy: -75.247 flat angles C4'-P-C4' energy: -75.168 flat angles P-C4'-P energy: -50.619 tors. eta vs tors. theta energy: -72.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -836.736028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.736028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.736028 (E_RNA) where: Base-Base interactions energy: -526.299 where: short stacking energy: -235.180 Base-Backbone interact. energy: -0.924 local terms energy: -309.512442 where: bonds (distance) C4'-P energy: -83.258 bonds (distance) P-C4' energy: -54.289 flat angles C4'-P-C4' energy: -80.998 flat angles P-C4'-P energy: -42.596 tors. eta vs tors. theta energy: -48.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -760.587225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.587225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.587225 (E_RNA) where: Base-Base interactions energy: -443.895 where: short stacking energy: -202.427 Base-Backbone interact. energy: -2.092 local terms energy: -314.600155 where: bonds (distance) C4'-P energy: -71.342 bonds (distance) P-C4' energy: -65.330 flat angles C4'-P-C4' energy: -82.793 flat angles P-C4'-P energy: -44.936 tors. eta vs tors. theta energy: -50.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -566.691471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.691471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.691471 (E_RNA) where: Base-Base interactions energy: -286.055 where: short stacking energy: -147.973 Base-Backbone interact. energy: -0.408 local terms energy: -280.228472 where: bonds (distance) C4'-P energy: -78.262 bonds (distance) P-C4' energy: -71.015 flat angles C4'-P-C4' energy: -67.447 flat angles P-C4'-P energy: -39.182 tors. eta vs tors. theta energy: -24.323 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: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -392.106841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.106841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.106841 (E_RNA) where: Base-Base interactions energy: -175.040 where: short stacking energy: -115.402 Base-Backbone interact. energy: 3.089 local terms energy: -220.155768 where: bonds (distance) C4'-P energy: -52.212 bonds (distance) P-C4' energy: -76.205 flat angles C4'-P-C4' energy: -50.114 flat angles P-C4'-P energy: -45.666 tors. eta vs tors. theta energy: 4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -305.903556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.903556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.903556 (E_RNA) where: Base-Base interactions energy: -136.401 where: short stacking energy: -81.131 Base-Backbone interact. energy: 4.235 local terms energy: -173.738293 where: bonds (distance) C4'-P energy: -49.969 bonds (distance) P-C4' energy: -66.332 flat angles C4'-P-C4' energy: -42.563 flat angles P-C4'-P energy: -31.064 tors. eta vs tors. theta energy: 16.189 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: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1292.343001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.343001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.343001 (E_RNA) where: Base-Base interactions energy: -850.472 where: short stacking energy: -380.838 Base-Backbone interact. energy: -2.669 local terms energy: -439.201367 where: bonds (distance) C4'-P energy: -70.104 bonds (distance) P-C4' energy: -84.448 flat angles C4'-P-C4' energy: -95.395 flat angles P-C4'-P energy: -68.352 tors. eta vs tors. theta energy: -120.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1299.176359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.176359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.176359 (E_RNA) where: Base-Base interactions energy: -875.645 where: short stacking energy: -367.200 Base-Backbone interact. energy: 0.319 local terms energy: -423.850488 where: bonds (distance) C4'-P energy: -79.146 bonds (distance) P-C4' energy: -78.482 flat angles C4'-P-C4' energy: -91.893 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -111.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1233.581968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.581968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.581968 (E_RNA) where: Base-Base interactions energy: -810.274 where: short stacking energy: -347.959 Base-Backbone interact. energy: -1.098 local terms energy: -422.209186 where: bonds (distance) C4'-P energy: -72.053 bonds (distance) P-C4' energy: -86.844 flat angles C4'-P-C4' energy: -83.653 flat angles P-C4'-P energy: -65.226 tors. eta vs tors. theta energy: -114.433 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: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1122.279037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.279037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.279037 (E_RNA) where: Base-Base interactions energy: -744.598 where: short stacking energy: -323.233 Base-Backbone interact. energy: 0.441 local terms energy: -378.121668 where: bonds (distance) C4'-P energy: -70.691 bonds (distance) P-C4' energy: -71.621 flat angles C4'-P-C4' energy: -88.965 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: -94.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -965.124495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.124495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.124495 (E_RNA) where: Base-Base interactions energy: -617.404 where: short stacking energy: -287.672 Base-Backbone interact. energy: -0.702 local terms energy: -347.018286 where: bonds (distance) C4'-P energy: -75.809 bonds (distance) P-C4' energy: -65.523 flat angles C4'-P-C4' energy: -68.564 flat angles P-C4'-P energy: -57.121 tors. eta vs tors. theta energy: -80.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -819.179430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.179430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.179430 (E_RNA) where: Base-Base interactions energy: -507.369 where: short stacking energy: -222.983 Base-Backbone interact. energy: -1.108 local terms energy: -310.702640 where: bonds (distance) C4'-P energy: -69.013 bonds (distance) P-C4' energy: -63.326 flat angles C4'-P-C4' energy: -68.887 flat angles P-C4'-P energy: -50.069 tors. eta vs tors. theta energy: -59.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -727.733909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.733909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.733909 (E_RNA) where: Base-Base interactions energy: -410.004 where: short stacking energy: -225.796 Base-Backbone interact. energy: 0.033 local terms energy: -317.763007 where: bonds (distance) C4'-P energy: -71.301 bonds (distance) P-C4' energy: -69.490 flat angles C4'-P-C4' energy: -80.569 flat angles P-C4'-P energy: -44.209 tors. eta vs tors. theta energy: -52.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -553.389088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.389088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.389088 (E_RNA) where: Base-Base interactions energy: -291.150 where: short stacking energy: -139.796 Base-Backbone interact. energy: 3.307 local terms energy: -265.545391 where: bonds (distance) C4'-P energy: -56.772 bonds (distance) P-C4' energy: -77.089 flat angles C4'-P-C4' energy: -64.990 flat angles P-C4'-P energy: -45.901 tors. eta vs tors. theta energy: -20.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -361.156426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.156426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.156426 (E_RNA) where: Base-Base interactions energy: -147.647 where: short stacking energy: -95.251 Base-Backbone interact. energy: 2.859 local terms energy: -216.368298 where: bonds (distance) C4'-P energy: -55.679 bonds (distance) P-C4' energy: -68.027 flat angles C4'-P-C4' energy: -61.614 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: 6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -320.079091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.079091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.079091 (E_RNA) where: Base-Base interactions energy: -125.271 where: short stacking energy: -104.140 Base-Backbone interact. energy: 1.889 local terms energy: -196.697230 where: bonds (distance) C4'-P energy: -63.253 bonds (distance) P-C4' energy: -69.459 flat angles C4'-P-C4' energy: -52.601 flat angles P-C4'-P energy: -25.453 tors. eta vs tors. theta energy: 14.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1294.767203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.767203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.767203 (E_RNA) where: Base-Base interactions energy: -848.649 where: short stacking energy: -401.361 Base-Backbone interact. energy: -1.438 local terms energy: -444.680256 where: bonds (distance) C4'-P energy: -82.913 bonds (distance) P-C4' energy: -75.856 flat angles C4'-P-C4' energy: -88.774 flat angles P-C4'-P energy: -69.526 tors. eta vs tors. theta energy: -127.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1274.861863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.861863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.861863 (E_RNA) where: Base-Base interactions energy: -854.448 where: short stacking energy: -378.889 Base-Backbone interact. energy: -2.583 local terms energy: -417.830902 where: bonds (distance) C4'-P energy: -70.008 bonds (distance) P-C4' energy: -89.110 flat angles C4'-P-C4' energy: -80.541 flat angles P-C4'-P energy: -56.573 tors. eta vs tors. theta energy: -121.599 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: 303 Temperature: 1.000000 Total energy: -1220.064049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.064049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.064049 (E_RNA) where: Base-Base interactions energy: -828.959 where: short stacking energy: -360.379 Base-Backbone interact. energy: 0.115 local terms energy: -391.220490 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -62.278 flat angles C4'-P-C4' energy: -88.753 flat angles P-C4'-P energy: -52.817 tors. eta vs tors. theta energy: -110.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1155.289548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.289548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.289548 (E_RNA) where: Base-Base interactions energy: -777.894 where: short stacking energy: -321.592 Base-Backbone interact. energy: -1.939 local terms energy: -375.456412 where: bonds (distance) C4'-P energy: -72.937 bonds (distance) P-C4' energy: -67.173 flat angles C4'-P-C4' energy: -82.996 flat angles P-C4'-P energy: -59.182 tors. eta vs tors. theta energy: -93.168 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: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -986.355095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.355095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.355095 (E_RNA) where: Base-Base interactions energy: -612.752 where: short stacking energy: -298.617 Base-Backbone interact. energy: -2.408 local terms energy: -371.194762 where: bonds (distance) C4'-P energy: -72.849 bonds (distance) P-C4' energy: -70.731 flat angles C4'-P-C4' energy: -82.127 flat angles P-C4'-P energy: -54.155 tors. eta vs tors. theta energy: -91.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -831.519177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.519177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.519177 (E_RNA) where: Base-Base interactions energy: -524.860 where: short stacking energy: -252.221 Base-Backbone interact. energy: 5.161 local terms energy: -311.819809 where: bonds (distance) C4'-P energy: -62.782 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -76.489 flat angles P-C4'-P energy: -45.124 tors. eta vs tors. theta energy: -51.234 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: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -712.403713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.403713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.403713 (E_RNA) where: Base-Base interactions energy: -426.956 where: short stacking energy: -193.743 Base-Backbone interact. energy: -0.525 local terms energy: -284.922683 where: bonds (distance) C4'-P energy: -63.576 bonds (distance) P-C4' energy: -59.794 flat angles C4'-P-C4' energy: -80.374 flat angles P-C4'-P energy: -39.048 tors. eta vs tors. theta energy: -42.130 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: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -515.771976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.771976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.771976 (E_RNA) where: Base-Base interactions energy: -261.955 where: short stacking energy: -148.244 Base-Backbone interact. energy: 5.315 local terms energy: -259.131882 where: bonds (distance) C4'-P energy: -71.324 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -62.739 flat angles P-C4'-P energy: -40.350 tors. eta vs tors. theta energy: -15.091 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: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -355.464861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.464861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.464861 (E_RNA) where: Base-Base interactions energy: -139.979 where: short stacking energy: -89.510 Base-Backbone interact. energy: 2.072 local terms energy: -217.558705 where: bonds (distance) C4'-P energy: -56.794 bonds (distance) P-C4' energy: -77.528 flat angles C4'-P-C4' energy: -52.520 flat angles P-C4'-P energy: -34.352 tors. eta vs tors. theta energy: 3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -314.135801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.135801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.135801 (E_RNA) where: Base-Base interactions energy: -108.735 where: short stacking energy: -88.915 Base-Backbone interact. energy: 1.229 local terms energy: -206.629036 where: bonds (distance) C4'-P energy: -64.854 bonds (distance) P-C4' energy: -68.951 flat angles C4'-P-C4' energy: -61.171 flat angles P-C4'-P energy: -33.162 tors. eta vs tors. theta energy: 21.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1287.883020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.883020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.883020 (E_RNA) where: Base-Base interactions energy: -878.695 where: short stacking energy: -372.771 Base-Backbone interact. energy: -2.966 local terms energy: -406.222385 where: bonds (distance) C4'-P energy: -75.187 bonds (distance) P-C4' energy: -73.880 flat angles C4'-P-C4' energy: -84.190 flat angles P-C4'-P energy: -61.263 tors. eta vs tors. theta energy: -111.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1283.692287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.692287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.692287 (E_RNA) where: Base-Base interactions energy: -845.471 where: short stacking energy: -375.272 Base-Backbone interact. energy: -1.596 local terms energy: -436.624712 where: bonds (distance) C4'-P energy: -88.838 bonds (distance) P-C4' energy: -68.073 flat angles C4'-P-C4' energy: -86.775 flat angles P-C4'-P energy: -69.019 tors. eta vs tors. theta energy: -123.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1238.727607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.727607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.727607 (E_RNA) where: Base-Base interactions energy: -836.282 where: short stacking energy: -358.572 Base-Backbone interact. energy: 0.934 local terms energy: -403.379214 where: bonds (distance) C4'-P energy: -80.242 bonds (distance) P-C4' energy: -73.087 flat angles C4'-P-C4' energy: -81.582 flat angles P-C4'-P energy: -55.946 tors. eta vs tors. theta energy: -112.522 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: 304 Temperature: 1.050000 Total energy: -1107.877403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.877403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.877403 (E_RNA) where: Base-Base interactions energy: -747.497 where: short stacking energy: -322.241 Base-Backbone interact. energy: 0.093 local terms energy: -360.473196 where: bonds (distance) C4'-P energy: -71.413 bonds (distance) P-C4' energy: -71.856 flat angles C4'-P-C4' energy: -79.262 flat angles P-C4'-P energy: -53.319 tors. eta vs tors. theta energy: -84.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -971.719858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.719858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.719858 (E_RNA) where: Base-Base interactions energy: -594.716 where: short stacking energy: -289.572 Base-Backbone interact. energy: -2.313 local terms energy: -374.690928 where: bonds (distance) C4'-P energy: -76.317 bonds (distance) P-C4' energy: -73.886 flat angles C4'-P-C4' energy: -80.988 flat angles P-C4'-P energy: -54.555 tors. eta vs tors. theta energy: -88.945 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: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -799.910169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.910169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.910169 (E_RNA) where: Base-Base interactions energy: -517.600 where: short stacking energy: -229.989 Base-Backbone interact. energy: 1.440 local terms energy: -283.750161 where: bonds (distance) C4'-P energy: -63.363 bonds (distance) P-C4' energy: -52.799 flat angles C4'-P-C4' energy: -74.453 flat angles P-C4'-P energy: -39.765 tors. eta vs tors. theta energy: -53.370 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: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -747.935428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.935428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.935428 (E_RNA) where: Base-Base interactions energy: -457.615 where: short stacking energy: -202.589 Base-Backbone interact. energy: 0.651 local terms energy: -290.971352 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -76.073 flat angles P-C4'-P energy: -43.045 tors. eta vs tors. theta energy: -49.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -504.276939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.276939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.276939 (E_RNA) where: Base-Base interactions energy: -235.692 where: short stacking energy: -114.938 Base-Backbone interact. energy: 2.219 local terms energy: -270.803694 where: bonds (distance) C4'-P energy: -75.521 bonds (distance) P-C4' energy: -84.366 flat angles C4'-P-C4' energy: -80.105 flat angles P-C4'-P energy: -30.886 tors. eta vs tors. theta energy: 0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -344.665147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.665147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.665147 (E_RNA) where: Base-Base interactions energy: -140.909 where: short stacking energy: -120.494 Base-Backbone interact. energy: -1.409 local terms energy: -202.346594 where: bonds (distance) C4'-P energy: -56.138 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -49.368 flat angles P-C4'-P energy: -29.356 tors. eta vs tors. theta energy: 0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -307.993528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.993528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.993528 (E_RNA) where: Base-Base interactions energy: -127.752 where: short stacking energy: -92.470 Base-Backbone interact. energy: -0.938 local terms energy: -179.303445 where: bonds (distance) C4'-P energy: -56.525 bonds (distance) P-C4' energy: -60.201 flat angles C4'-P-C4' energy: -49.657 flat angles P-C4'-P energy: -29.038 tors. eta vs tors. theta energy: 16.118 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: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1309.809568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.809568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.809568 (E_RNA) where: Base-Base interactions energy: -883.079 where: short stacking energy: -384.709 Base-Backbone interact. energy: 0.705 local terms energy: -427.435910 where: bonds (distance) C4'-P energy: -76.539 bonds (distance) P-C4' energy: -80.288 flat angles C4'-P-C4' energy: -89.670 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -121.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1258.206319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.206319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.206319 (E_RNA) where: Base-Base interactions energy: -848.172 where: short stacking energy: -361.693 Base-Backbone interact. energy: -1.379 local terms energy: -408.655391 where: bonds (distance) C4'-P energy: -62.750 bonds (distance) P-C4' energy: -76.538 flat angles C4'-P-C4' energy: -94.612 flat angles P-C4'-P energy: -59.163 tors. eta vs tors. theta energy: -115.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1263.082495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.082495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.082495 (E_RNA) where: Base-Base interactions energy: -867.573 where: short stacking energy: -369.608 Base-Backbone interact. energy: -1.916 local terms energy: -393.592953 where: bonds (distance) C4'-P energy: -77.874 bonds (distance) P-C4' energy: -76.790 flat angles C4'-P-C4' energy: -88.791 flat angles P-C4'-P energy: -41.762 tors. eta vs tors. theta energy: -108.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1096.651925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.651925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.651925 (E_RNA) where: Base-Base interactions energy: -735.690 where: short stacking energy: -303.637 Base-Backbone interact. energy: -1.600 local terms energy: -359.362594 where: bonds (distance) C4'-P energy: -78.269 bonds (distance) P-C4' energy: -67.510 flat angles C4'-P-C4' energy: -80.364 flat angles P-C4'-P energy: -50.703 tors. eta vs tors. theta energy: -82.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -975.404491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.404491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.404491 (E_RNA) where: Base-Base interactions energy: -613.353 where: short stacking energy: -300.178 Base-Backbone interact. energy: -1.100 local terms energy: -360.951510 where: bonds (distance) C4'-P energy: -76.979 bonds (distance) P-C4' energy: -74.685 flat angles C4'-P-C4' energy: -76.264 flat angles P-C4'-P energy: -50.872 tors. eta vs tors. theta energy: -82.152 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: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -788.916920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.916920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.916920 (E_RNA) where: Base-Base interactions energy: -482.296 where: short stacking energy: -221.830 Base-Backbone interact. energy: -2.745 local terms energy: -303.875720 where: bonds (distance) C4'-P energy: -61.240 bonds (distance) P-C4' energy: -70.920 flat angles C4'-P-C4' energy: -77.371 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -53.674 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: 7 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -757.177530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.177530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.177530 (E_RNA) where: Base-Base interactions energy: -452.057 where: short stacking energy: -211.833 Base-Backbone interact. energy: 2.012 local terms energy: -307.132532 where: bonds (distance) C4'-P energy: -62.871 bonds (distance) P-C4' energy: -80.997 flat angles C4'-P-C4' energy: -79.112 flat angles P-C4'-P energy: -47.164 tors. eta vs tors. theta energy: -36.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -525.672053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.672053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.672053 (E_RNA) where: Base-Base interactions energy: -270.089 where: short stacking energy: -162.953 Base-Backbone interact. energy: 1.707 local terms energy: -257.290799 where: bonds (distance) C4'-P energy: -60.602 bonds (distance) P-C4' energy: -76.994 flat angles C4'-P-C4' energy: -58.464 flat angles P-C4'-P energy: -45.408 tors. eta vs tors. theta energy: -15.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -370.362766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.362766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.362766 (E_RNA) where: Base-Base interactions energy: -132.227 where: short stacking energy: -118.953 Base-Backbone interact. energy: -0.941 local terms energy: -237.194076 where: bonds (distance) C4'-P energy: -65.706 bonds (distance) P-C4' energy: -68.242 flat angles C4'-P-C4' energy: -53.096 flat angles P-C4'-P energy: -40.686 tors. eta vs tors. theta energy: -9.464 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: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -329.879335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.879335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.879335 (E_RNA) where: Base-Base interactions energy: -131.256 where: short stacking energy: -90.706 Base-Backbone interact. energy: 4.073 local terms energy: -202.696182 where: bonds (distance) C4'-P energy: -71.380 bonds (distance) P-C4' energy: -69.824 flat angles C4'-P-C4' energy: -52.476 flat angles P-C4'-P energy: -16.447 tors. eta vs tors. theta energy: 7.432 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: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1305.633835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.633835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.633835 (E_RNA) where: Base-Base interactions energy: -886.609 where: short stacking energy: -372.413 Base-Backbone interact. energy: -1.768 local terms energy: -417.257295 where: bonds (distance) C4'-P energy: -83.308 bonds (distance) P-C4' energy: -80.080 flat angles C4'-P-C4' energy: -84.849 flat angles P-C4'-P energy: -57.991 tors. eta vs tors. theta energy: -111.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1267.540448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.540448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.540448 (E_RNA) where: Base-Base interactions energy: -839.726 where: short stacking energy: -371.572 Base-Backbone interact. energy: -2.518 local terms energy: -425.295921 where: bonds (distance) C4'-P energy: -77.852 bonds (distance) P-C4' energy: -71.689 flat angles C4'-P-C4' energy: -83.221 flat angles P-C4'-P energy: -69.991 tors. eta vs tors. theta energy: -122.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1252.718505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.718505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.718505 (E_RNA) where: Base-Base interactions energy: -853.391 where: short stacking energy: -365.200 Base-Backbone interact. energy: 0.944 local terms energy: -400.272152 where: bonds (distance) C4'-P energy: -82.800 bonds (distance) P-C4' energy: -73.243 flat angles C4'-P-C4' energy: -85.867 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: -102.418 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: 4, replica: 8 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1117.355910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.355910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.355910 (E_RNA) where: Base-Base interactions energy: -733.512 where: short stacking energy: -295.570 Base-Backbone interact. energy: -1.464 local terms energy: -382.379906 where: bonds (distance) C4'-P energy: -68.400 bonds (distance) P-C4' energy: -76.148 flat angles C4'-P-C4' energy: -93.212 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -92.036 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: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1001.730582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.730582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.730582 (E_RNA) where: Base-Base interactions energy: -658.466 where: short stacking energy: -307.128 Base-Backbone interact. energy: 2.715 local terms energy: -345.979015 where: bonds (distance) C4'-P energy: -61.069 bonds (distance) P-C4' energy: -81.892 flat angles C4'-P-C4' energy: -78.407 flat angles P-C4'-P energy: -43.541 tors. eta vs tors. theta energy: -81.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -771.504342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.504342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.504342 (E_RNA) where: Base-Base interactions energy: -457.766 where: short stacking energy: -235.087 Base-Backbone interact. energy: 1.801 local terms energy: -315.539664 where: bonds (distance) C4'-P energy: -67.407 bonds (distance) P-C4' energy: -73.934 flat angles C4'-P-C4' energy: -80.555 flat angles P-C4'-P energy: -48.215 tors. eta vs tors. theta energy: -45.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -762.953042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.953042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.953042 (E_RNA) where: Base-Base interactions energy: -476.050 where: short stacking energy: -227.390 Base-Backbone interact. energy: -2.019 local terms energy: -284.884536 where: bonds (distance) C4'-P energy: -73.828 bonds (distance) P-C4' energy: -61.864 flat angles C4'-P-C4' energy: -76.613 flat angles P-C4'-P energy: -32.803 tors. eta vs tors. theta energy: -39.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -530.096092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.096092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.096092 (E_RNA) where: Base-Base interactions energy: -292.186 where: short stacking energy: -146.216 Base-Backbone interact. energy: 1.571 local terms energy: -239.481465 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -72.466 flat angles C4'-P-C4' energy: -55.487 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -10.244 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: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -350.331092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.331092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.331092 (E_RNA) where: Base-Base interactions energy: -111.088 where: short stacking energy: -85.084 Base-Backbone interact. energy: -4.102 local terms energy: -235.140940 where: bonds (distance) C4'-P energy: -78.525 bonds (distance) P-C4' energy: -77.328 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -28.645 tors. eta vs tors. theta energy: 6.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -380.422030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.422030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.422030 (E_RNA) where: Base-Base interactions energy: -137.594 where: short stacking energy: -105.739 Base-Backbone interact. energy: 1.708 local terms energy: -244.535852 where: bonds (distance) C4'-P energy: -77.947 bonds (distance) P-C4' energy: -69.305 flat angles C4'-P-C4' energy: -53.105 flat angles P-C4'-P energy: -37.995 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: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1302.165797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.165797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.165797 (E_RNA) where: Base-Base interactions energy: -889.714 where: short stacking energy: -371.859 Base-Backbone interact. energy: -0.907 local terms energy: -411.545250 where: bonds (distance) C4'-P energy: -74.742 bonds (distance) P-C4' energy: -80.645 flat angles C4'-P-C4' energy: -91.601 flat angles P-C4'-P energy: -60.004 tors. eta vs tors. theta energy: -104.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1254.112679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.112679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.112679 (E_RNA) where: Base-Base interactions energy: -833.847 where: short stacking energy: -371.398 Base-Backbone interact. energy: 0.377 local terms energy: -420.642494 where: bonds (distance) C4'-P energy: -70.644 bonds (distance) P-C4' energy: -92.481 flat angles C4'-P-C4' energy: -85.148 flat angles P-C4'-P energy: -51.698 tors. eta vs tors. theta energy: -120.672 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: 307 Temperature: 1.000000 Total energy: -1238.887727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.887727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.887727 (E_RNA) where: Base-Base interactions energy: -847.685 where: short stacking energy: -370.496 Base-Backbone interact. energy: 2.781 local terms energy: -393.983649 where: bonds (distance) C4'-P energy: -59.661 bonds (distance) P-C4' energy: -73.289 flat angles C4'-P-C4' energy: -90.074 flat angles P-C4'-P energy: -60.170 tors. eta vs tors. theta energy: -110.789 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: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1118.219869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.219869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.219869 (E_RNA) where: Base-Base interactions energy: -744.520 where: short stacking energy: -330.029 Base-Backbone interact. energy: -1.770 local terms energy: -371.930004 where: bonds (distance) C4'-P energy: -62.708 bonds (distance) P-C4' energy: -79.226 flat angles C4'-P-C4' energy: -84.830 flat angles P-C4'-P energy: -52.236 tors. eta vs tors. theta energy: -92.930 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: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -964.182186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.182186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.182186 (E_RNA) where: Base-Base interactions energy: -623.262 where: short stacking energy: -292.171 Base-Backbone interact. energy: -2.374 local terms energy: -338.546020 where: bonds (distance) C4'-P energy: -65.525 bonds (distance) P-C4' energy: -71.689 flat angles C4'-P-C4' energy: -81.555 flat angles P-C4'-P energy: -47.206 tors. eta vs tors. theta energy: -72.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -802.444671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.444671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.444671 (E_RNA) where: Base-Base interactions energy: -488.077 where: short stacking energy: -244.998 Base-Backbone interact. energy: -3.292 local terms energy: -311.075388 where: bonds (distance) C4'-P energy: -59.832 bonds (distance) P-C4' energy: -75.298 flat angles C4'-P-C4' energy: -71.649 flat angles P-C4'-P energy: -54.516 tors. eta vs tors. theta energy: -49.781 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: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -763.436950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.436950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.436950 (E_RNA) where: Base-Base interactions energy: -480.993 where: short stacking energy: -208.458 Base-Backbone interact. energy: -0.555 local terms energy: -281.888495 where: bonds (distance) C4'-P energy: -67.194 bonds (distance) P-C4' energy: -63.586 flat angles C4'-P-C4' energy: -73.385 flat angles P-C4'-P energy: -47.658 tors. eta vs tors. theta energy: -30.065 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: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -508.746529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.746529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.746529 (E_RNA) where: Base-Base interactions energy: -267.676 where: short stacking energy: -130.990 Base-Backbone interact. energy: 2.156 local terms energy: -243.227133 where: bonds (distance) C4'-P energy: -65.143 bonds (distance) P-C4' energy: -57.316 flat angles C4'-P-C4' energy: -70.504 flat angles P-C4'-P energy: -35.847 tors. eta vs tors. theta energy: -14.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -359.763281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.763281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.763281 (E_RNA) where: Base-Base interactions energy: -130.784 where: short stacking energy: -102.542 Base-Backbone interact. energy: -1.095 local terms energy: -227.884671 where: bonds (distance) C4'-P energy: -59.625 bonds (distance) P-C4' energy: -72.532 flat angles C4'-P-C4' energy: -60.872 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: 8.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -308.560830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.560830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.560830 (E_RNA) where: Base-Base interactions energy: -102.348 where: short stacking energy: -76.141 Base-Backbone interact. energy: 0.210 local terms energy: -206.423427 where: bonds (distance) C4'-P energy: -78.927 bonds (distance) P-C4' energy: -79.800 flat angles C4'-P-C4' energy: -25.248 flat angles P-C4'-P energy: -30.170 tors. eta vs tors. theta energy: 7.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1291.534189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.534189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.534189 (E_RNA) where: Base-Base interactions energy: -870.749 where: short stacking energy: -356.070 Base-Backbone interact. energy: -1.601 local terms energy: -419.183665 where: bonds (distance) C4'-P energy: -70.432 bonds (distance) P-C4' energy: -82.730 flat angles C4'-P-C4' energy: -93.182 flat angles P-C4'-P energy: -72.420 tors. eta vs tors. theta energy: -100.421 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: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1251.796535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.796535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.796535 (E_RNA) where: Base-Base interactions energy: -836.746 where: short stacking energy: -358.503 Base-Backbone interact. energy: -0.313 local terms energy: -414.736943 where: bonds (distance) C4'-P energy: -71.380 bonds (distance) P-C4' energy: -73.415 flat angles C4'-P-C4' energy: -86.483 flat angles P-C4'-P energy: -63.290 tors. eta vs tors. theta energy: -120.168 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: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1216.539399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.539399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.539399 (E_RNA) where: Base-Base interactions energy: -839.665 where: short stacking energy: -350.366 Base-Backbone interact. energy: -0.534 local terms energy: -376.340561 where: bonds (distance) C4'-P energy: -73.987 bonds (distance) P-C4' energy: -66.534 flat angles C4'-P-C4' energy: -77.255 flat angles P-C4'-P energy: -52.034 tors. eta vs tors. theta energy: -106.531 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: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1117.358582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.358582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.358582 (E_RNA) where: Base-Base interactions energy: -738.491 where: short stacking energy: -307.874 Base-Backbone interact. energy: -3.340 local terms energy: -375.527598 where: bonds (distance) C4'-P energy: -73.353 bonds (distance) P-C4' energy: -75.554 flat angles C4'-P-C4' energy: -77.905 flat angles P-C4'-P energy: -61.791 tors. eta vs tors. theta energy: -86.925 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: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -962.905752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.905752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.905752 (E_RNA) where: Base-Base interactions energy: -625.068 where: short stacking energy: -282.770 Base-Backbone interact. energy: -3.099 local terms energy: -334.738883 where: bonds (distance) C4'-P energy: -72.206 bonds (distance) P-C4' energy: -60.861 flat angles C4'-P-C4' energy: -78.593 flat angles P-C4'-P energy: -49.088 tors. eta vs tors. theta energy: -73.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -794.253250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.253250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.253250 (E_RNA) where: Base-Base interactions energy: -457.106 where: short stacking energy: -203.317 Base-Backbone interact. energy: -2.517 local terms energy: -334.630592 where: bonds (distance) C4'-P energy: -72.877 bonds (distance) P-C4' energy: -73.457 flat angles C4'-P-C4' energy: -81.557 flat angles P-C4'-P energy: -48.650 tors. eta vs tors. theta energy: -58.090 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: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -722.000314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.000314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.000314 (E_RNA) where: Base-Base interactions energy: -432.390 where: short stacking energy: -219.393 Base-Backbone interact. energy: 4.756 local terms energy: -294.367166 where: bonds (distance) C4'-P energy: -68.097 bonds (distance) P-C4' energy: -74.757 flat angles C4'-P-C4' energy: -70.856 flat angles P-C4'-P energy: -41.914 tors. eta vs tors. theta energy: -38.743 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: 8, replica: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -562.671076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.671076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.671076 (E_RNA) where: Base-Base interactions energy: -292.405 where: short stacking energy: -166.813 Base-Backbone interact. energy: 1.794 local terms energy: -272.059625 where: bonds (distance) C4'-P energy: -72.050 bonds (distance) P-C4' energy: -61.545 flat angles C4'-P-C4' energy: -72.841 flat angles P-C4'-P energy: -38.665 tors. eta vs tors. theta energy: -26.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -345.608418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.608418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.608418 (E_RNA) where: Base-Base interactions energy: -127.269 where: short stacking energy: -92.181 Base-Backbone interact. energy: -2.934 local terms energy: -215.405817 where: bonds (distance) C4'-P energy: -60.729 bonds (distance) P-C4' energy: -75.800 flat angles C4'-P-C4' energy: -59.821 flat angles P-C4'-P energy: -31.069 tors. eta vs tors. theta energy: 12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -314.909204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.909204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.909204 (E_RNA) where: Base-Base interactions energy: -110.794 where: short stacking energy: -100.874 Base-Backbone interact. energy: -0.754 local terms energy: -203.361551 where: bonds (distance) C4'-P energy: -58.451 bonds (distance) P-C4' energy: -62.272 flat angles C4'-P-C4' energy: -59.402 flat angles P-C4'-P energy: -23.613 tors. eta vs tors. theta energy: 0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1303.664404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.664404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.664404 (E_RNA) where: Base-Base interactions energy: -885.824 where: short stacking energy: -361.082 Base-Backbone interact. energy: -1.457 local terms energy: -416.382907 where: bonds (distance) C4'-P energy: -73.019 bonds (distance) P-C4' energy: -84.099 flat angles C4'-P-C4' energy: -88.171 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -107.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1244.746127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.746127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.746127 (E_RNA) where: Base-Base interactions energy: -816.776 where: short stacking energy: -380.458 Base-Backbone interact. energy: -0.142 local terms energy: -427.827724 where: bonds (distance) C4'-P energy: -82.714 bonds (distance) P-C4' energy: -78.214 flat angles C4'-P-C4' energy: -84.493 flat angles P-C4'-P energy: -60.542 tors. eta vs tors. theta energy: -121.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1209.132172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.132172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.132172 (E_RNA) where: Base-Base interactions energy: -812.599 where: short stacking energy: -346.238 Base-Backbone interact. energy: -1.572 local terms energy: -394.961551 where: bonds (distance) C4'-P energy: -74.336 bonds (distance) P-C4' energy: -77.231 flat angles C4'-P-C4' energy: -78.686 flat angles P-C4'-P energy: -58.725 tors. eta vs tors. theta energy: -105.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1152.079164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.079164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.079164 (E_RNA) where: Base-Base interactions energy: -793.477 where: short stacking energy: -303.975 Base-Backbone interact. energy: -0.323 local terms energy: -358.279011 where: bonds (distance) C4'-P energy: -60.549 bonds (distance) P-C4' energy: -64.014 flat angles C4'-P-C4' energy: -78.811 flat angles P-C4'-P energy: -57.047 tors. eta vs tors. theta energy: -97.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -980.781292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.781292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.781292 (E_RNA) where: Base-Base interactions energy: -633.292 where: short stacking energy: -288.578 Base-Backbone interact. energy: -0.511 local terms energy: -346.977872 where: bonds (distance) C4'-P energy: -68.828 bonds (distance) P-C4' energy: -69.260 flat angles C4'-P-C4' energy: -76.176 flat angles P-C4'-P energy: -55.888 tors. eta vs tors. theta energy: -76.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -788.097994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.097994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.097994 (E_RNA) where: Base-Base interactions energy: -501.658 where: short stacking energy: -220.437 Base-Backbone interact. energy: -1.111 local terms energy: -285.328936 where: bonds (distance) C4'-P energy: -69.394 bonds (distance) P-C4' energy: -71.420 flat angles C4'-P-C4' energy: -73.968 flat angles P-C4'-P energy: -28.498 tors. eta vs tors. theta energy: -42.048 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: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -693.323802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.323802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.323802 (E_RNA) where: Base-Base interactions energy: -412.987 where: short stacking energy: -192.012 Base-Backbone interact. energy: -0.652 local terms energy: -279.685366 where: bonds (distance) C4'-P energy: -56.953 bonds (distance) P-C4' energy: -67.511 flat angles C4'-P-C4' energy: -63.499 flat angles P-C4'-P energy: -48.771 tors. eta vs tors. theta energy: -42.951 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: 2 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -533.496547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.496547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.496547 (E_RNA) where: Base-Base interactions energy: -289.432 where: short stacking energy: -158.298 Base-Backbone interact. energy: -1.299 local terms energy: -242.766186 where: bonds (distance) C4'-P energy: -60.542 bonds (distance) P-C4' energy: -68.862 flat angles C4'-P-C4' energy: -72.114 flat angles P-C4'-P energy: -24.090 tors. eta vs tors. theta energy: -17.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -355.502755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.502755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.502755 (E_RNA) where: Base-Base interactions energy: -128.402 where: short stacking energy: -99.552 Base-Backbone interact. energy: 1.188 local terms energy: -228.288461 where: bonds (distance) C4'-P energy: -72.881 bonds (distance) P-C4' energy: -71.324 flat angles C4'-P-C4' energy: -56.130 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: 12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -334.582384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.582384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.582384 (E_RNA) where: Base-Base interactions energy: -126.043 where: short stacking energy: -98.728 Base-Backbone interact. energy: -1.042 local terms energy: -207.497859 where: bonds (distance) C4'-P energy: -58.841 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -62.222 flat angles P-C4'-P energy: -34.184 tors. eta vs tors. theta energy: 22.738 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: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1295.894559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.894559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.894559 (E_RNA) where: Base-Base interactions energy: -863.063 where: short stacking energy: -349.213 Base-Backbone interact. energy: -4.590 local terms energy: -428.241665 where: bonds (distance) C4'-P energy: -80.880 bonds (distance) P-C4' energy: -82.762 flat angles C4'-P-C4' energy: -87.330 flat angles P-C4'-P energy: -68.321 tors. eta vs tors. theta energy: -108.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1264.855034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.855034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.855034 (E_RNA) where: Base-Base interactions energy: -854.003 where: short stacking energy: -382.874 Base-Backbone interact. energy: 0.017 local terms energy: -410.869239 where: bonds (distance) C4'-P energy: -81.940 bonds (distance) P-C4' energy: -81.473 flat angles C4'-P-C4' energy: -83.789 flat angles P-C4'-P energy: -50.717 tors. eta vs tors. theta energy: -112.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1205.626866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.626866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.626866 (E_RNA) where: Base-Base interactions energy: -799.877 where: short stacking energy: -359.506 Base-Backbone interact. energy: -1.892 local terms energy: -403.857240 where: bonds (distance) C4'-P energy: -80.681 bonds (distance) P-C4' energy: -74.303 flat angles C4'-P-C4' energy: -82.038 flat angles P-C4'-P energy: -57.057 tors. eta vs tors. theta energy: -109.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1159.543002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.543002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.543002 (E_RNA) where: Base-Base interactions energy: -792.395 where: short stacking energy: -314.556 Base-Backbone interact. energy: -1.801 local terms energy: -365.346986 where: bonds (distance) C4'-P energy: -91.579 bonds (distance) P-C4' energy: -71.678 flat angles C4'-P-C4' energy: -78.490 flat angles P-C4'-P energy: -41.784 tors. eta vs tors. theta energy: -81.816 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: 5, replica: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -990.123388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.123388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.123388 (E_RNA) where: Base-Base interactions energy: -629.159 where: short stacking energy: -274.130 Base-Backbone interact. energy: 0.257 local terms energy: -361.221243 where: bonds (distance) C4'-P energy: -76.339 bonds (distance) P-C4' energy: -75.468 flat angles C4'-P-C4' energy: -70.707 flat angles P-C4'-P energy: -56.016 tors. eta vs tors. theta energy: -82.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -809.863636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.863636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.863636 (E_RNA) where: Base-Base interactions energy: -510.030 where: short stacking energy: -236.931 Base-Backbone interact. energy: -4.342 local terms energy: -295.490759 where: bonds (distance) C4'-P energy: -58.308 bonds (distance) P-C4' energy: -65.908 flat angles C4'-P-C4' energy: -75.430 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -46.982 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: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -625.207086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.207086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.207086 (E_RNA) where: Base-Base interactions energy: -358.142 where: short stacking energy: -166.417 Base-Backbone interact. energy: 0.355 local terms energy: -267.419819 where: bonds (distance) C4'-P energy: -54.594 bonds (distance) P-C4' energy: -64.052 flat angles C4'-P-C4' energy: -70.742 flat angles P-C4'-P energy: -52.273 tors. eta vs tors. theta energy: -25.759 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: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -551.399178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.399178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.399178 (E_RNA) where: Base-Base interactions energy: -299.203 where: short stacking energy: -140.429 Base-Backbone interact. energy: 1.709 local terms energy: -253.905312 where: bonds (distance) C4'-P energy: -55.951 bonds (distance) P-C4' energy: -77.341 flat angles C4'-P-C4' energy: -63.802 flat angles P-C4'-P energy: -33.700 tors. eta vs tors. theta energy: -23.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -362.136666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.136666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.136666 (E_RNA) where: Base-Base interactions energy: -136.025 where: short stacking energy: -85.172 Base-Backbone interact. energy: -2.355 local terms energy: -223.756742 where: bonds (distance) C4'-P energy: -56.122 bonds (distance) P-C4' energy: -77.974 flat angles C4'-P-C4' energy: -66.293 flat angles P-C4'-P energy: -30.021 tors. eta vs tors. theta energy: 6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -312.114881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.114881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.114881 (E_RNA) where: Base-Base interactions energy: -104.153 where: short stacking energy: -82.106 Base-Backbone interact. energy: 3.521 local terms energy: -211.482959 where: bonds (distance) C4'-P energy: -74.602 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -57.414 flat angles P-C4'-P energy: -35.831 tors. eta vs tors. theta energy: 14.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1286.267735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.267735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.267735 (E_RNA) where: Base-Base interactions energy: -868.959 where: short stacking energy: -340.675 Base-Backbone interact. energy: -2.323 local terms energy: -414.985737 where: bonds (distance) C4'-P energy: -84.095 bonds (distance) P-C4' energy: -72.941 flat angles C4'-P-C4' energy: -87.000 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -100.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1275.797262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.797262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.797262 (E_RNA) where: Base-Base interactions energy: -869.639 where: short stacking energy: -377.998 Base-Backbone interact. energy: -1.846 local terms energy: -404.311877 where: bonds (distance) C4'-P energy: -71.357 bonds (distance) P-C4' energy: -75.793 flat angles C4'-P-C4' energy: -87.027 flat angles P-C4'-P energy: -60.383 tors. eta vs tors. theta energy: -109.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1239.603151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.603151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.603151 (E_RNA) where: Base-Base interactions energy: -816.331 where: short stacking energy: -355.932 Base-Backbone interact. energy: -1.023 local terms energy: -422.249119 where: bonds (distance) C4'-P energy: -87.580 bonds (distance) P-C4' energy: -76.130 flat angles C4'-P-C4' energy: -91.366 flat angles P-C4'-P energy: -56.484 tors. eta vs tors. theta energy: -110.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1153.120336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.120336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.120336 (E_RNA) where: Base-Base interactions energy: -781.209 where: short stacking energy: -311.740 Base-Backbone interact. energy: -3.290 local terms energy: -368.621419 where: bonds (distance) C4'-P energy: -58.222 bonds (distance) P-C4' energy: -79.977 flat angles C4'-P-C4' energy: -86.432 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -99.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1010.558224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.558224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.558224 (E_RNA) where: Base-Base interactions energy: -657.430 where: short stacking energy: -292.420 Base-Backbone interact. energy: -2.228 local terms energy: -350.900095 where: bonds (distance) C4'-P energy: -70.516 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -60.807 flat angles P-C4'-P energy: -56.537 tors. eta vs tors. theta energy: -85.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -831.853988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.853988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.853988 (E_RNA) where: Base-Base interactions energy: -495.035 where: short stacking energy: -229.151 Base-Backbone interact. energy: 1.337 local terms energy: -338.155388 where: bonds (distance) C4'-P energy: -60.599 bonds (distance) P-C4' energy: -84.625 flat angles C4'-P-C4' energy: -76.046 flat angles P-C4'-P energy: -52.894 tors. eta vs tors. theta energy: -63.992 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: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -635.430638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.430638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.430638 (E_RNA) where: Base-Base interactions energy: -357.078 where: short stacking energy: -182.648 Base-Backbone interact. energy: -0.826 local terms energy: -277.527513 where: bonds (distance) C4'-P energy: -58.331 bonds (distance) P-C4' energy: -66.968 flat angles C4'-P-C4' energy: -67.667 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -28.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -536.770401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.770401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.770401 (E_RNA) where: Base-Base interactions energy: -269.544 where: short stacking energy: -152.457 Base-Backbone interact. energy: -0.363 local terms energy: -266.863641 where: bonds (distance) C4'-P energy: -61.228 bonds (distance) P-C4' energy: -76.157 flat angles C4'-P-C4' energy: -66.962 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -17.783 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: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -354.669877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.669877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.669877 (E_RNA) where: Base-Base interactions energy: -106.377 where: short stacking energy: -75.658 Base-Backbone interact. energy: -0.637 local terms energy: -247.655466 where: bonds (distance) C4'-P energy: -82.102 bonds (distance) P-C4' energy: -85.032 flat angles C4'-P-C4' energy: -60.425 flat angles P-C4'-P energy: -32.727 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: 10, replica: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -328.098982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.098982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.098982 (E_RNA) where: Base-Base interactions energy: -105.709 where: short stacking energy: -77.322 Base-Backbone interact. energy: -1.462 local terms energy: -220.928371 where: bonds (distance) C4'-P energy: -79.192 bonds (distance) P-C4' energy: -68.187 flat angles C4'-P-C4' energy: -58.955 flat angles P-C4'-P energy: -35.499 tors. eta vs tors. theta energy: 20.904 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: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1319.496884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.496884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.496884 (E_RNA) where: Base-Base interactions energy: -887.607 where: short stacking energy: -372.577 Base-Backbone interact. energy: -0.325 local terms energy: -431.565012 where: bonds (distance) C4'-P energy: -87.158 bonds (distance) P-C4' energy: -89.991 flat angles C4'-P-C4' energy: -87.080 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -111.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1255.783582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.783582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.783582 (E_RNA) where: Base-Base interactions energy: -835.486 where: short stacking energy: -380.221 Base-Backbone interact. energy: -1.852 local terms energy: -418.445537 where: bonds (distance) C4'-P energy: -81.074 bonds (distance) P-C4' energy: -72.978 flat angles C4'-P-C4' energy: -88.099 flat angles P-C4'-P energy: -57.984 tors. eta vs tors. theta energy: -118.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1243.997761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.997761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.997761 (E_RNA) where: Base-Base interactions energy: -858.283 where: short stacking energy: -350.004 Base-Backbone interact. energy: 0.943 local terms energy: -386.657450 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -70.183 flat angles C4'-P-C4' energy: -79.738 flat angles P-C4'-P energy: -64.711 tors. eta vs tors. theta energy: -108.980 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: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1131.716347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.716347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.716347 (E_RNA) where: Base-Base interactions energy: -758.658 where: short stacking energy: -317.522 Base-Backbone interact. energy: -0.517 local terms energy: -372.541109 where: bonds (distance) C4'-P energy: -75.752 bonds (distance) P-C4' energy: -74.301 flat angles C4'-P-C4' energy: -80.513 flat angles P-C4'-P energy: -59.144 tors. eta vs tors. theta energy: -82.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1009.557447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.557447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.557447 (E_RNA) where: Base-Base interactions energy: -660.192 where: short stacking energy: -292.477 Base-Backbone interact. energy: -3.030 local terms energy: -346.335847 where: bonds (distance) C4'-P energy: -74.232 bonds (distance) P-C4' energy: -73.034 flat angles C4'-P-C4' energy: -75.076 flat angles P-C4'-P energy: -56.450 tors. eta vs tors. theta energy: -67.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -859.682785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.682785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.682785 (E_RNA) where: Base-Base interactions energy: -540.868 where: short stacking energy: -226.601 Base-Backbone interact. energy: -2.653 local terms energy: -316.162241 where: bonds (distance) C4'-P energy: -67.815 bonds (distance) P-C4' energy: -77.562 flat angles C4'-P-C4' energy: -73.058 flat angles P-C4'-P energy: -34.444 tors. eta vs tors. theta energy: -63.283 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: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -622.335052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.335052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.335052 (E_RNA) where: Base-Base interactions energy: -322.602 where: short stacking energy: -177.787 Base-Backbone interact. energy: -0.603 local terms energy: -299.129918 where: bonds (distance) C4'-P energy: -80.772 bonds (distance) P-C4' energy: -65.815 flat angles C4'-P-C4' energy: -71.451 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -37.015 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: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -529.107863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.107863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.107863 (E_RNA) where: Base-Base interactions energy: -288.379 where: short stacking energy: -157.386 Base-Backbone interact. energy: 2.287 local terms energy: -243.015943 where: bonds (distance) C4'-P energy: -58.605 bonds (distance) P-C4' energy: -74.848 flat angles C4'-P-C4' energy: -58.806 flat angles P-C4'-P energy: -28.354 tors. eta vs tors. theta energy: -22.403 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: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -367.705177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.705177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.705177 (E_RNA) where: Base-Base interactions energy: -130.662 where: short stacking energy: -120.179 Base-Backbone interact. energy: -0.943 local terms energy: -236.100682 where: bonds (distance) C4'-P energy: -64.919 bonds (distance) P-C4' energy: -66.903 flat angles C4'-P-C4' energy: -71.355 flat angles P-C4'-P energy: -32.029 tors. eta vs tors. theta energy: -0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -332.799739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.799739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.799739 (E_RNA) where: Base-Base interactions energy: -146.701 where: short stacking energy: -96.513 Base-Backbone interact. energy: -2.138 local terms energy: -183.960158 where: bonds (distance) C4'-P energy: -60.131 bonds (distance) P-C4' energy: -58.972 flat angles C4'-P-C4' energy: -49.732 flat angles P-C4'-P energy: -21.749 tors. eta vs tors. theta energy: 6.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1306.990696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.990696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.990696 (E_RNA) where: Base-Base interactions energy: -890.189 where: short stacking energy: -388.192 Base-Backbone interact. energy: -0.337 local terms energy: -416.464403 where: bonds (distance) C4'-P energy: -82.597 bonds (distance) P-C4' energy: -75.632 flat angles C4'-P-C4' energy: -93.714 flat angles P-C4'-P energy: -53.694 tors. eta vs tors. theta energy: -110.827 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: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1290.226231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.226231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.226231 (E_RNA) where: Base-Base interactions energy: -865.572 where: short stacking energy: -391.808 Base-Backbone interact. energy: -0.935 local terms energy: -423.719803 where: bonds (distance) C4'-P energy: -64.154 bonds (distance) P-C4' energy: -82.551 flat angles C4'-P-C4' energy: -95.056 flat angles P-C4'-P energy: -52.490 tors. eta vs tors. theta energy: -129.470 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: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1263.953998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.953998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.953998 (E_RNA) where: Base-Base interactions energy: -834.406 where: short stacking energy: -363.147 Base-Backbone interact. energy: -1.307 local terms energy: -428.240767 where: bonds (distance) C4'-P energy: -75.158 bonds (distance) P-C4' energy: -79.691 flat angles C4'-P-C4' energy: -93.525 flat angles P-C4'-P energy: -63.998 tors. eta vs tors. theta energy: -115.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1138.535891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.535891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.535891 (E_RNA) where: Base-Base interactions energy: -768.850 where: short stacking energy: -303.099 Base-Backbone interact. energy: -2.326 local terms energy: -367.360227 where: bonds (distance) C4'-P energy: -70.909 bonds (distance) P-C4' energy: -75.468 flat angles C4'-P-C4' energy: -82.349 flat angles P-C4'-P energy: -53.138 tors. eta vs tors. theta energy: -85.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1012.399332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.399332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.399332 (E_RNA) where: Base-Base interactions energy: -656.560 where: short stacking energy: -289.589 Base-Backbone interact. energy: -2.365 local terms energy: -353.474841 where: bonds (distance) C4'-P energy: -77.668 bonds (distance) P-C4' energy: -73.732 flat angles C4'-P-C4' energy: -68.573 flat angles P-C4'-P energy: -55.164 tors. eta vs tors. theta energy: -78.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -809.999357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.999357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.999357 (E_RNA) where: Base-Base interactions energy: -496.806 where: short stacking energy: -238.189 Base-Backbone interact. energy: 2.414 local terms energy: -315.607071 where: bonds (distance) C4'-P energy: -70.849 bonds (distance) P-C4' energy: -84.505 flat angles C4'-P-C4' energy: -63.834 flat angles P-C4'-P energy: -39.798 tors. eta vs tors. theta energy: -56.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -616.615376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.615376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.615376 (E_RNA) where: Base-Base interactions energy: -359.547 where: short stacking energy: -194.493 Base-Backbone interact. energy: 0.453 local terms energy: -257.520839 where: bonds (distance) C4'-P energy: -48.396 bonds (distance) P-C4' energy: -66.443 flat angles C4'-P-C4' energy: -71.896 flat angles P-C4'-P energy: -34.452 tors. eta vs tors. theta energy: -36.334 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: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -554.658195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.658195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.658195 (E_RNA) where: Base-Base interactions energy: -296.694 where: short stacking energy: -162.435 Base-Backbone interact. energy: 0.710 local terms energy: -258.673504 where: bonds (distance) C4'-P energy: -75.303 bonds (distance) P-C4' energy: -72.635 flat angles C4'-P-C4' energy: -59.131 flat angles P-C4'-P energy: -35.072 tors. eta vs tors. theta energy: -16.531 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: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -347.952671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.952671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.952671 (E_RNA) where: Base-Base interactions energy: -113.404 where: short stacking energy: -101.108 Base-Backbone interact. energy: 2.882 local terms energy: -237.430652 where: bonds (distance) C4'-P energy: -61.944 bonds (distance) P-C4' energy: -79.565 flat angles C4'-P-C4' energy: -61.094 flat angles P-C4'-P energy: -38.924 tors. eta vs tors. theta energy: 4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -343.489528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.489528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.489528 (E_RNA) where: Base-Base interactions energy: -109.128 where: short stacking energy: -100.357 Base-Backbone interact. energy: 1.730 local terms energy: -236.092167 where: bonds (distance) C4'-P energy: -64.181 bonds (distance) P-C4' energy: -74.107 flat angles C4'-P-C4' energy: -74.207 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: 13.788 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: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1296.861527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.861527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.861527 (E_RNA) where: Base-Base interactions energy: -871.891 where: short stacking energy: -384.466 Base-Backbone interact. energy: -0.183 local terms energy: -424.787688 where: bonds (distance) C4'-P energy: -82.547 bonds (distance) P-C4' energy: -81.611 flat angles C4'-P-C4' energy: -85.961 flat angles P-C4'-P energy: -58.230 tors. eta vs tors. theta energy: -116.438 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: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1268.941700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.941700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.941700 (E_RNA) where: Base-Base interactions energy: -824.247 where: short stacking energy: -359.271 Base-Backbone interact. energy: 2.043 local terms energy: -446.737928 where: bonds (distance) C4'-P energy: -83.988 bonds (distance) P-C4' energy: -84.566 flat angles C4'-P-C4' energy: -97.538 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: -119.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1243.925127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.925127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.925127 (E_RNA) where: Base-Base interactions energy: -855.202 where: short stacking energy: -362.915 Base-Backbone interact. energy: 1.730 local terms energy: -390.453242 where: bonds (distance) C4'-P energy: -70.854 bonds (distance) P-C4' energy: -71.427 flat angles C4'-P-C4' energy: -79.778 flat angles P-C4'-P energy: -59.132 tors. eta vs tors. theta energy: -109.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1160.597923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.597923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.597923 (E_RNA) where: Base-Base interactions energy: -772.860 where: short stacking energy: -318.790 Base-Backbone interact. energy: -1.400 local terms energy: -386.337964 where: bonds (distance) C4'-P energy: -65.256 bonds (distance) P-C4' energy: -83.690 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -51.218 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: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -967.292506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.292506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.292506 (E_RNA) where: Base-Base interactions energy: -618.225 where: short stacking energy: -271.677 Base-Backbone interact. energy: -1.037 local terms energy: -348.030196 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -76.475 flat angles C4'-P-C4' energy: -70.523 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -74.274 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: 6, replica: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -832.718535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.718535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.718535 (E_RNA) where: Base-Base interactions energy: -532.036 where: short stacking energy: -241.837 Base-Backbone interact. energy: 1.602 local terms energy: -302.283805 where: bonds (distance) C4'-P energy: -64.856 bonds (distance) P-C4' energy: -56.571 flat angles C4'-P-C4' energy: -78.466 flat angles P-C4'-P energy: -48.822 tors. eta vs tors. theta energy: -53.569 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: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -629.840399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.840399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.840399 (E_RNA) where: Base-Base interactions energy: -341.767 where: short stacking energy: -169.434 Base-Backbone interact. energy: -0.669 local terms energy: -287.404546 where: bonds (distance) C4'-P energy: -69.938 bonds (distance) P-C4' energy: -66.521 flat angles C4'-P-C4' energy: -72.269 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: -31.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -556.195258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.195258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.195258 (E_RNA) where: Base-Base interactions energy: -289.042 where: short stacking energy: -170.489 Base-Backbone interact. energy: -1.731 local terms energy: -265.421817 where: bonds (distance) C4'-P energy: -66.755 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -64.767 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: -18.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -355.253749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.253749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.253749 (E_RNA) where: Base-Base interactions energy: -133.866 where: short stacking energy: -98.147 Base-Backbone interact. energy: -0.219 local terms energy: -221.168758 where: bonds (distance) C4'-P energy: -62.468 bonds (distance) P-C4' energy: -72.189 flat angles C4'-P-C4' energy: -53.090 flat angles P-C4'-P energy: -35.723 tors. eta vs tors. theta energy: 2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -324.318273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.318273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.318273 (E_RNA) where: Base-Base interactions energy: -124.506 where: short stacking energy: -82.853 Base-Backbone interact. energy: -0.727 local terms energy: -199.084742 where: bonds (distance) C4'-P energy: -53.755 bonds (distance) P-C4' energy: -75.385 flat angles C4'-P-C4' energy: -67.485 flat angles P-C4'-P energy: -24.851 tors. eta vs tors. theta energy: 22.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1298.495725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.495725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.495725 (E_RNA) where: Base-Base interactions energy: -887.721 where: short stacking energy: -370.017 Base-Backbone interact. energy: 0.357 local terms energy: -411.131807 where: bonds (distance) C4'-P energy: -83.423 bonds (distance) P-C4' energy: -81.097 flat angles C4'-P-C4' energy: -84.873 flat angles P-C4'-P energy: -55.819 tors. eta vs tors. theta energy: -105.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1247.998202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.998202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.998202 (E_RNA) where: Base-Base interactions energy: -829.324 where: short stacking energy: -370.952 Base-Backbone interact. energy: 0.730 local terms energy: -419.404898 where: bonds (distance) C4'-P energy: -72.574 bonds (distance) P-C4' energy: -76.575 flat angles C4'-P-C4' energy: -91.497 flat angles P-C4'-P energy: -59.509 tors. eta vs tors. theta energy: -119.249 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: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1234.503951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.503951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.503951 (E_RNA) where: Base-Base interactions energy: -816.625 where: short stacking energy: -361.018 Base-Backbone interact. energy: -0.884 local terms energy: -416.994948 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -79.911 flat angles C4'-P-C4' energy: -94.563 flat angles P-C4'-P energy: -58.924 tors. eta vs tors. theta energy: -113.706 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: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1135.441453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.441453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.441453 (E_RNA) where: Base-Base interactions energy: -767.595 where: short stacking energy: -337.986 Base-Backbone interact. energy: -1.560 local terms energy: -366.287298 where: bonds (distance) C4'-P energy: -74.728 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -67.349 flat angles P-C4'-P energy: -49.389 tors. eta vs tors. theta energy: -101.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -981.132700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.132700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.132700 (E_RNA) where: Base-Base interactions energy: -645.784 where: short stacking energy: -298.539 Base-Backbone interact. energy: -2.185 local terms energy: -333.163368 where: bonds (distance) C4'-P energy: -76.732 bonds (distance) P-C4' energy: -65.813 flat angles C4'-P-C4' energy: -61.738 flat angles P-C4'-P energy: -48.891 tors. eta vs tors. theta energy: -79.989 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: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -788.951314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.951314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.951314 (E_RNA) where: Base-Base interactions energy: -475.715 where: short stacking energy: -220.837 Base-Backbone interact. energy: -0.461 local terms energy: -312.775049 where: bonds (distance) C4'-P energy: -71.176 bonds (distance) P-C4' energy: -69.273 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -53.303 tors. eta vs tors. theta energy: -50.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -658.050280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.050280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.050280 (E_RNA) where: Base-Base interactions energy: -389.879 where: short stacking energy: -182.246 Base-Backbone interact. energy: 0.971 local terms energy: -269.142351 where: bonds (distance) C4'-P energy: -54.624 bonds (distance) P-C4' energy: -61.616 flat angles C4'-P-C4' energy: -83.452 flat angles P-C4'-P energy: -39.299 tors. eta vs tors. theta energy: -30.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -552.335118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.335118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.335118 (E_RNA) where: Base-Base interactions energy: -287.586 where: short stacking energy: -164.665 Base-Backbone interact. energy: -0.314 local terms energy: -264.435219 where: bonds (distance) C4'-P energy: -75.270 bonds (distance) P-C4' energy: -67.474 flat angles C4'-P-C4' energy: -58.652 flat angles P-C4'-P energy: -32.771 tors. eta vs tors. theta energy: -30.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -329.327363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.327363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.327363 (E_RNA) where: Base-Base interactions energy: -111.302 where: short stacking energy: -103.769 Base-Backbone interact. energy: -1.686 local terms energy: -216.339801 where: bonds (distance) C4'-P energy: -66.697 bonds (distance) P-C4' energy: -50.144 flat angles C4'-P-C4' energy: -65.741 flat angles P-C4'-P energy: -40.046 tors. eta vs tors. theta energy: 6.289 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: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -302.393728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.393728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.393728 (E_RNA) where: Base-Base interactions energy: -113.050 where: short stacking energy: -86.896 Base-Backbone interact. energy: -1.657 local terms energy: -187.685976 where: bonds (distance) C4'-P energy: -62.489 bonds (distance) P-C4' energy: -65.655 flat angles C4'-P-C4' energy: -48.203 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: 19.997 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: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1306.401677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.401677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.401677 (E_RNA) where: Base-Base interactions energy: -869.771 where: short stacking energy: -390.737 Base-Backbone interact. energy: -2.813 local terms energy: -433.817613 where: bonds (distance) C4'-P energy: -83.677 bonds (distance) P-C4' energy: -84.350 flat angles C4'-P-C4' energy: -92.074 flat angles P-C4'-P energy: -55.302 tors. eta vs tors. theta energy: -118.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1261.866898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.866898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.866898 (E_RNA) where: Base-Base interactions energy: -830.351 where: short stacking energy: -364.108 Base-Backbone interact. energy: -0.504 local terms energy: -431.012136 where: bonds (distance) C4'-P energy: -79.774 bonds (distance) P-C4' energy: -86.387 flat angles C4'-P-C4' energy: -81.099 flat angles P-C4'-P energy: -67.561 tors. eta vs tors. theta energy: -116.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1226.013445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.013445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.013445 (E_RNA) where: Base-Base interactions energy: -823.568 where: short stacking energy: -359.569 Base-Backbone interact. energy: -0.423 local terms energy: -402.021995 where: bonds (distance) C4'-P energy: -82.443 bonds (distance) P-C4' energy: -71.954 flat angles C4'-P-C4' energy: -85.461 flat angles P-C4'-P energy: -56.155 tors. eta vs tors. theta energy: -106.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1103.573126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.573126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.573126 (E_RNA) where: Base-Base interactions energy: -756.951 where: short stacking energy: -312.135 Base-Backbone interact. energy: -0.703 local terms energy: -345.919265 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -66.730 flat angles C4'-P-C4' energy: -76.539 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -87.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -976.503331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.503331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.503331 (E_RNA) where: Base-Base interactions energy: -624.216 where: short stacking energy: -270.320 Base-Backbone interact. energy: -2.933 local terms energy: -349.354516 where: bonds (distance) C4'-P energy: -74.970 bonds (distance) P-C4' energy: -73.614 flat angles C4'-P-C4' energy: -77.572 flat angles P-C4'-P energy: -45.287 tors. eta vs tors. theta energy: -77.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -858.480196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.480196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.480196 (E_RNA) where: Base-Base interactions energy: -520.435 where: short stacking energy: -244.646 Base-Backbone interact. energy: -1.957 local terms energy: -336.088200 where: bonds (distance) C4'-P energy: -78.544 bonds (distance) P-C4' energy: -78.561 flat angles C4'-P-C4' energy: -77.204 flat angles P-C4'-P energy: -50.074 tors. eta vs tors. theta energy: -51.705 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: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -665.817353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.817353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.817353 (E_RNA) where: Base-Base interactions energy: -400.470 where: short stacking energy: -202.399 Base-Backbone interact. energy: -2.359 local terms energy: -262.988480 where: bonds (distance) C4'-P energy: -56.841 bonds (distance) P-C4' energy: -61.185 flat angles C4'-P-C4' energy: -59.914 flat angles P-C4'-P energy: -51.546 tors. eta vs tors. theta energy: -33.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -530.820268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.820268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.820268 (E_RNA) where: Base-Base interactions energy: -281.022 where: short stacking energy: -137.211 Base-Backbone interact. energy: -0.626 local terms energy: -249.171926 where: bonds (distance) C4'-P energy: -76.085 bonds (distance) P-C4' energy: -73.740 flat angles C4'-P-C4' energy: -66.500 flat angles P-C4'-P energy: -24.091 tors. eta vs tors. theta energy: -8.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -354.262899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.262899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.262899 (E_RNA) where: Base-Base interactions energy: -118.610 where: short stacking energy: -82.300 Base-Backbone interact. energy: 0.195 local terms energy: -235.847417 where: bonds (distance) C4'-P energy: -65.579 bonds (distance) P-C4' energy: -78.873 flat angles C4'-P-C4' energy: -57.390 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: 5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -322.286344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.286344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.286344 (E_RNA) where: Base-Base interactions energy: -119.069 where: short stacking energy: -89.994 Base-Backbone interact. energy: 0.002 local terms energy: -203.219940 where: bonds (distance) C4'-P energy: -53.815 bonds (distance) P-C4' energy: -70.315 flat angles C4'-P-C4' energy: -65.756 flat angles P-C4'-P energy: -23.683 tors. eta vs tors. theta energy: 10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1294.534865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.534865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.534865 (E_RNA) where: Base-Base interactions energy: -874.631 where: short stacking energy: -374.320 Base-Backbone interact. energy: 2.072 local terms energy: -421.976078 where: bonds (distance) C4'-P energy: -80.513 bonds (distance) P-C4' energy: -83.127 flat angles C4'-P-C4' energy: -83.104 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -113.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1267.095963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.095963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.095963 (E_RNA) where: Base-Base interactions energy: -845.332 where: short stacking energy: -375.709 Base-Backbone interact. energy: -1.036 local terms energy: -420.728445 where: bonds (distance) C4'-P energy: -71.862 bonds (distance) P-C4' energy: -85.017 flat angles C4'-P-C4' energy: -87.582 flat angles P-C4'-P energy: -61.836 tors. eta vs tors. theta energy: -114.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1210.029828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.029828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.029828 (E_RNA) where: Base-Base interactions energy: -800.814 where: short stacking energy: -353.064 Base-Backbone interact. energy: -4.356 local terms energy: -404.859428 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -66.482 flat angles C4'-P-C4' energy: -84.198 flat angles P-C4'-P energy: -63.046 tors. eta vs tors. theta energy: -118.087 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: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1163.156223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.156223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.156223 (E_RNA) where: Base-Base interactions energy: -755.511 where: short stacking energy: -342.478 Base-Backbone interact. energy: -0.868 local terms energy: -406.777499 where: bonds (distance) C4'-P energy: -71.131 bonds (distance) P-C4' energy: -78.718 flat angles C4'-P-C4' energy: -93.691 flat angles P-C4'-P energy: -58.562 tors. eta vs tors. theta energy: -104.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1019.791467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.791467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.791467 (E_RNA) where: Base-Base interactions energy: -644.206 where: short stacking energy: -295.574 Base-Backbone interact. energy: -1.753 local terms energy: -373.832250 where: bonds (distance) C4'-P energy: -61.857 bonds (distance) P-C4' energy: -80.222 flat angles C4'-P-C4' energy: -78.732 flat angles P-C4'-P energy: -59.608 tors. eta vs tors. theta energy: -93.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -833.947749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.947749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.947749 (E_RNA) where: Base-Base interactions energy: -534.786 where: short stacking energy: -235.546 Base-Backbone interact. energy: -2.715 local terms energy: -296.447154 where: bonds (distance) C4'-P energy: -69.096 bonds (distance) P-C4' energy: -75.114 flat angles C4'-P-C4' energy: -62.899 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: -53.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -687.796256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.796256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.796256 (E_RNA) where: Base-Base interactions energy: -413.707 where: short stacking energy: -175.974 Base-Backbone interact. energy: 0.024 local terms energy: -274.112962 where: bonds (distance) C4'-P energy: -69.783 bonds (distance) P-C4' energy: -69.196 flat angles C4'-P-C4' energy: -74.802 flat angles P-C4'-P energy: -39.164 tors. eta vs tors. theta energy: -21.168 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: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -592.935149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.935149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.935149 (E_RNA) where: Base-Base interactions energy: -331.828 where: short stacking energy: -174.904 Base-Backbone interact. energy: 3.737 local terms energy: -264.843911 where: bonds (distance) C4'-P energy: -70.946 bonds (distance) P-C4' energy: -68.093 flat angles C4'-P-C4' energy: -58.169 flat angles P-C4'-P energy: -35.471 tors. eta vs tors. theta energy: -32.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -320.475592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.475592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.475592 (E_RNA) where: Base-Base interactions energy: -113.534 where: short stacking energy: -81.060 Base-Backbone interact. energy: 2.123 local terms energy: -209.064451 where: bonds (distance) C4'-P energy: -71.916 bonds (distance) P-C4' energy: -70.694 flat angles C4'-P-C4' energy: -62.894 flat angles P-C4'-P energy: -18.549 tors. eta vs tors. theta energy: 14.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -326.461495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.461495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.461495 (E_RNA) where: Base-Base interactions energy: -117.926 where: short stacking energy: -89.101 Base-Backbone interact. energy: -1.695 local terms energy: -206.840626 where: bonds (distance) C4'-P energy: -77.575 bonds (distance) P-C4' energy: -67.169 flat angles C4'-P-C4' energy: -53.906 flat angles P-C4'-P energy: -25.734 tors. eta vs tors. theta energy: 17.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1304.239099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.239099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.239099 (E_RNA) where: Base-Base interactions energy: -884.425 where: short stacking energy: -389.036 Base-Backbone interact. energy: -3.690 local terms energy: -416.123511 where: bonds (distance) C4'-P energy: -86.132 bonds (distance) P-C4' energy: -75.471 flat angles C4'-P-C4' energy: -77.388 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: -111.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1289.851767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.851767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.851767 (E_RNA) where: Base-Base interactions energy: -872.682 where: short stacking energy: -373.784 Base-Backbone interact. energy: -2.238 local terms energy: -414.931801 where: bonds (distance) C4'-P energy: -79.952 bonds (distance) P-C4' energy: -76.720 flat angles C4'-P-C4' energy: -89.165 flat angles P-C4'-P energy: -57.310 tors. eta vs tors. theta energy: -111.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1224.859227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.859227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.859227 (E_RNA) where: Base-Base interactions energy: -808.460 where: short stacking energy: -361.274 Base-Backbone interact. energy: -1.412 local terms energy: -414.987886 where: bonds (distance) C4'-P energy: -69.471 bonds (distance) P-C4' energy: -69.879 flat angles C4'-P-C4' energy: -91.213 flat angles P-C4'-P energy: -61.928 tors. eta vs tors. theta energy: -122.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1105.188662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.188662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.188662 (E_RNA) where: Base-Base interactions energy: -732.692 where: short stacking energy: -318.853 Base-Backbone interact. energy: 2.050 local terms energy: -374.546788 where: bonds (distance) C4'-P energy: -74.146 bonds (distance) P-C4' energy: -74.539 flat angles C4'-P-C4' energy: -85.011 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -88.675 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: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1003.807599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.807599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.807599 (E_RNA) where: Base-Base interactions energy: -648.432 where: short stacking energy: -290.612 Base-Backbone interact. energy: -0.198 local terms energy: -355.177122 where: bonds (distance) C4'-P energy: -73.361 bonds (distance) P-C4' energy: -77.889 flat angles C4'-P-C4' energy: -71.893 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -79.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -809.690199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.690199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.690199 (E_RNA) where: Base-Base interactions energy: -494.024 where: short stacking energy: -228.134 Base-Backbone interact. energy: -1.205 local terms energy: -314.462022 where: bonds (distance) C4'-P energy: -64.847 bonds (distance) P-C4' energy: -71.077 flat angles C4'-P-C4' energy: -81.077 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: -53.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -638.707651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.707651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.707651 (E_RNA) where: Base-Base interactions energy: -364.869 where: short stacking energy: -175.013 Base-Backbone interact. energy: 2.867 local terms energy: -276.705993 where: bonds (distance) C4'-P energy: -75.386 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -75.515 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: -13.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -610.114537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.114537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.114537 (E_RNA) where: Base-Base interactions energy: -357.361 where: short stacking energy: -164.523 Base-Backbone interact. energy: -0.919 local terms energy: -251.834735 where: bonds (distance) C4'-P energy: -66.499 bonds (distance) P-C4' energy: -70.831 flat angles C4'-P-C4' energy: -62.479 flat angles P-C4'-P energy: -25.410 tors. eta vs tors. theta energy: -26.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -373.859834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.859834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.859834 (E_RNA) where: Base-Base interactions energy: -149.903 where: short stacking energy: -105.325 Base-Backbone interact. energy: 0.566 local terms energy: -224.522552 where: bonds (distance) C4'-P energy: -68.662 bonds (distance) P-C4' energy: -69.076 flat angles C4'-P-C4' energy: -50.336 flat angles P-C4'-P energy: -38.478 tors. eta vs tors. theta energy: 2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -328.359036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.359036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.359036 (E_RNA) where: Base-Base interactions energy: -118.521 where: short stacking energy: -97.718 Base-Backbone interact. energy: -2.334 local terms energy: -207.503944 where: bonds (distance) C4'-P energy: -76.065 bonds (distance) P-C4' energy: -58.840 flat angles C4'-P-C4' energy: -49.613 flat angles P-C4'-P energy: -34.131 tors. eta vs tors. theta energy: 11.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1287.860972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.860972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.860972 (E_RNA) where: Base-Base interactions energy: -865.664 where: short stacking energy: -381.532 Base-Backbone interact. energy: -1.241 local terms energy: -420.956380 where: bonds (distance) C4'-P energy: -81.270 bonds (distance) P-C4' energy: -86.265 flat angles C4'-P-C4' energy: -84.610 flat angles P-C4'-P energy: -54.467 tors. eta vs tors. theta energy: -114.345 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: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1289.854560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.854560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.854560 (E_RNA) where: Base-Base interactions energy: -880.759 where: short stacking energy: -370.828 Base-Backbone interact. energy: 0.495 local terms energy: -409.590271 where: bonds (distance) C4'-P energy: -63.530 bonds (distance) P-C4' energy: -78.183 flat angles C4'-P-C4' energy: -94.775 flat angles P-C4'-P energy: -61.941 tors. eta vs tors. theta energy: -111.161 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: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1206.721693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.721693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.721693 (E_RNA) where: Base-Base interactions energy: -784.230 where: short stacking energy: -345.884 Base-Backbone interact. energy: 0.779 local terms energy: -423.270939 where: bonds (distance) C4'-P energy: -75.124 bonds (distance) P-C4' energy: -76.732 flat angles C4'-P-C4' energy: -89.107 flat angles P-C4'-P energy: -64.071 tors. eta vs tors. theta energy: -118.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1152.680742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.680742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.680742 (E_RNA) where: Base-Base interactions energy: -780.431 where: short stacking energy: -338.209 Base-Backbone interact. energy: -1.306 local terms energy: -370.943876 where: bonds (distance) C4'-P energy: -60.438 bonds (distance) P-C4' energy: -84.478 flat angles C4'-P-C4' energy: -80.916 flat angles P-C4'-P energy: -45.622 tors. eta vs tors. theta energy: -99.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1033.046977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.046977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.046977 (E_RNA) where: Base-Base interactions energy: -677.170 where: short stacking energy: -314.555 Base-Backbone interact. energy: 4.614 local terms energy: -360.490957 where: bonds (distance) C4'-P energy: -74.633 bonds (distance) P-C4' energy: -70.742 flat angles C4'-P-C4' energy: -74.247 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -93.158 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: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -808.681759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.681759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.681759 (E_RNA) where: Base-Base interactions energy: -489.616 where: short stacking energy: -232.344 Base-Backbone interact. energy: -2.021 local terms energy: -317.044967 where: bonds (distance) C4'-P energy: -73.859 bonds (distance) P-C4' energy: -75.783 flat angles C4'-P-C4' energy: -81.875 flat angles P-C4'-P energy: -37.687 tors. eta vs tors. theta energy: -47.842 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: 319 Temperature: 1.200000 Total energy: -580.720318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.720318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.720318 (E_RNA) where: Base-Base interactions energy: -332.367 where: short stacking energy: -184.537 Base-Backbone interact. energy: -0.629 local terms energy: -247.724223 where: bonds (distance) C4'-P energy: -47.775 bonds (distance) P-C4' energy: -71.610 flat angles C4'-P-C4' energy: -79.219 flat angles P-C4'-P energy: -32.626 tors. eta vs tors. theta energy: -16.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -546.080205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.080205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.080205 (E_RNA) where: Base-Base interactions energy: -295.367 where: short stacking energy: -145.843 Base-Backbone interact. energy: -1.279 local terms energy: -249.434157 where: bonds (distance) C4'-P energy: -54.905 bonds (distance) P-C4' energy: -74.726 flat angles C4'-P-C4' energy: -60.786 flat angles P-C4'-P energy: -44.870 tors. eta vs tors. theta energy: -14.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -380.085691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.085691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.085691 (E_RNA) where: Base-Base interactions energy: -163.108 where: short stacking energy: -110.313 Base-Backbone interact. energy: 3.884 local terms energy: -220.861111 where: bonds (distance) C4'-P energy: -58.116 bonds (distance) P-C4' energy: -78.511 flat angles C4'-P-C4' energy: -45.414 flat angles P-C4'-P energy: -42.328 tors. eta vs tors. theta energy: 3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -307.480881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.480881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.480881 (E_RNA) where: Base-Base interactions energy: -114.199 where: short stacking energy: -77.755 Base-Backbone interact. energy: 0.029 local terms energy: -193.311498 where: bonds (distance) C4'-P energy: -58.529 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -58.448 flat angles P-C4'-P energy: -29.549 tors. eta vs tors. theta energy: 19.067 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: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1312.611771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.611771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.611771 (E_RNA) where: Base-Base interactions energy: -887.988 where: short stacking energy: -374.854 Base-Backbone interact. energy: 1.488 local terms energy: -426.112031 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -81.556 flat angles C4'-P-C4' energy: -87.044 flat angles P-C4'-P energy: -67.137 tors. eta vs tors. theta energy: -113.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1307.562325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.562325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.562325 (E_RNA) where: Base-Base interactions energy: -888.202 where: short stacking energy: -374.336 Base-Backbone interact. energy: -0.970 local terms energy: -418.390144 where: bonds (distance) C4'-P energy: -69.838 bonds (distance) P-C4' energy: -78.467 flat angles C4'-P-C4' energy: -87.029 flat angles P-C4'-P energy: -64.576 tors. eta vs tors. theta energy: -118.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1208.944328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.944328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.944328 (E_RNA) where: Base-Base interactions energy: -811.406 where: short stacking energy: -356.418 Base-Backbone interact. energy: -1.483 local terms energy: -396.056122 where: bonds (distance) C4'-P energy: -77.770 bonds (distance) P-C4' energy: -80.352 flat angles C4'-P-C4' energy: -83.854 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -100.215 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: 4, replica: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1133.091541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.091541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.091541 (E_RNA) where: Base-Base interactions energy: -778.063 where: short stacking energy: -341.569 Base-Backbone interact. energy: 0.474 local terms energy: -355.502947 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -75.859 flat angles C4'-P-C4' energy: -91.934 flat angles P-C4'-P energy: -32.945 tors. eta vs tors. theta energy: -94.423 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: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1057.089135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.089135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.089135 (E_RNA) where: Base-Base interactions energy: -694.186 where: short stacking energy: -301.556 Base-Backbone interact. energy: 2.119 local terms energy: -365.021565 where: bonds (distance) C4'-P energy: -81.503 bonds (distance) P-C4' energy: -81.451 flat angles C4'-P-C4' energy: -71.177 flat angles P-C4'-P energy: -47.867 tors. eta vs tors. theta energy: -83.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -813.879101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.879101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.879101 (E_RNA) where: Base-Base interactions energy: -499.381 where: short stacking energy: -230.389 Base-Backbone interact. energy: -1.221 local terms energy: -313.277043 where: bonds (distance) C4'-P energy: -70.898 bonds (distance) P-C4' energy: -70.452 flat angles C4'-P-C4' energy: -74.284 flat angles P-C4'-P energy: -49.959 tors. eta vs tors. theta energy: -47.684 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: 9 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -595.315578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.315578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.315578 (E_RNA) where: Base-Base interactions energy: -336.029 where: short stacking energy: -179.951 Base-Backbone interact. energy: -3.670 local terms energy: -255.615959 where: bonds (distance) C4'-P energy: -61.022 bonds (distance) P-C4' energy: -70.556 flat angles C4'-P-C4' energy: -66.179 flat angles P-C4'-P energy: -38.355 tors. eta vs tors. theta energy: -19.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -549.565410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.565410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.565410 (E_RNA) where: Base-Base interactions energy: -324.036 where: short stacking energy: -182.426 Base-Backbone interact. energy: -1.851 local terms energy: -223.678200 where: bonds (distance) C4'-P energy: -54.190 bonds (distance) P-C4' energy: -70.455 flat angles C4'-P-C4' energy: -45.575 flat angles P-C4'-P energy: -28.044 tors. eta vs tors. theta energy: -25.414 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: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -407.310217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.310217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.310217 (E_RNA) where: Base-Base interactions energy: -168.418 where: short stacking energy: -122.742 Base-Backbone interact. energy: -0.643 local terms energy: -238.249104 where: bonds (distance) C4'-P energy: -60.186 bonds (distance) P-C4' energy: -66.999 flat angles C4'-P-C4' energy: -61.958 flat angles P-C4'-P energy: -43.062 tors. eta vs tors. theta energy: -6.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -331.553667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.553667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.553667 (E_RNA) where: Base-Base interactions energy: -122.023 where: short stacking energy: -82.086 Base-Backbone interact. energy: -4.321 local terms energy: -205.209716 where: bonds (distance) C4'-P energy: -72.221 bonds (distance) P-C4' energy: -76.536 flat angles C4'-P-C4' energy: -46.411 flat angles P-C4'-P energy: -43.711 tors. eta vs tors. theta energy: 33.669 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: 1, replica: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1294.496045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.496045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.496045 (E_RNA) where: Base-Base interactions energy: -884.083 where: short stacking energy: -370.207 Base-Backbone interact. energy: -0.319 local terms energy: -410.094212 where: bonds (distance) C4'-P energy: -79.241 bonds (distance) P-C4' energy: -81.701 flat angles C4'-P-C4' energy: -82.512 flat angles P-C4'-P energy: -58.292 tors. eta vs tors. theta energy: -108.348 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: 2, replica: 3 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1301.095980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.095980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.095980 (E_RNA) where: Base-Base interactions energy: -881.091 where: short stacking energy: -385.265 Base-Backbone interact. energy: -1.763 local terms energy: -418.241913 where: bonds (distance) C4'-P energy: -81.770 bonds (distance) P-C4' energy: -77.734 flat angles C4'-P-C4' energy: -82.816 flat angles P-C4'-P energy: -61.739 tors. eta vs tors. theta energy: -114.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1198.421850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.421850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.421850 (E_RNA) where: Base-Base interactions energy: -795.590 where: short stacking energy: -350.440 Base-Backbone interact. energy: -0.473 local terms energy: -402.359043 where: bonds (distance) C4'-P energy: -73.009 bonds (distance) P-C4' energy: -83.401 flat angles C4'-P-C4' energy: -83.499 flat angles P-C4'-P energy: -52.310 tors. eta vs tors. theta energy: -110.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1105.188993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.188993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.188993 (E_RNA) where: Base-Base interactions energy: -729.892 where: short stacking energy: -292.027 Base-Backbone interact. energy: 0.838 local terms energy: -376.134039 where: bonds (distance) C4'-P energy: -70.845 bonds (distance) P-C4' energy: -79.901 flat angles C4'-P-C4' energy: -82.139 flat angles P-C4'-P energy: -54.211 tors. eta vs tors. theta energy: -89.038 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: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1058.306364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.306364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.306364 (E_RNA) where: Base-Base interactions energy: -690.989 where: short stacking energy: -287.059 Base-Backbone interact. energy: -3.798 local terms energy: -363.519621 where: bonds (distance) C4'-P energy: -78.825 bonds (distance) P-C4' energy: -73.224 flat angles C4'-P-C4' energy: -85.995 flat angles P-C4'-P energy: -50.958 tors. eta vs tors. theta energy: -74.518 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: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -850.443190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.443190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.443190 (E_RNA) where: Base-Base interactions energy: -535.720 where: short stacking energy: -223.566 Base-Backbone interact. energy: -1.202 local terms energy: -313.522022 where: bonds (distance) C4'-P energy: -76.257 bonds (distance) P-C4' energy: -71.911 flat angles C4'-P-C4' energy: -72.578 flat angles P-C4'-P energy: -46.370 tors. eta vs tors. theta energy: -46.406 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: 9 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -672.090770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.090770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.090770 (E_RNA) where: Base-Base interactions energy: -399.178 where: short stacking energy: -172.787 Base-Backbone interact. energy: 2.843 local terms energy: -275.756487 where: bonds (distance) C4'-P energy: -63.586 bonds (distance) P-C4' energy: -72.584 flat angles C4'-P-C4' energy: -63.164 flat angles P-C4'-P energy: -54.838 tors. eta vs tors. theta energy: -21.584 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: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -485.053708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.053708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.053708 (E_RNA) where: Base-Base interactions energy: -256.266 where: short stacking energy: -133.906 Base-Backbone interact. energy: 0.583 local terms energy: -229.370725 where: bonds (distance) C4'-P energy: -73.905 bonds (distance) P-C4' energy: -62.923 flat angles C4'-P-C4' energy: -45.948 flat angles P-C4'-P energy: -44.213 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: 9, replica: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -502.158515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.158515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.158515 (E_RNA) where: Base-Base interactions energy: -250.036 where: short stacking energy: -150.324 Base-Backbone interact. energy: 2.450 local terms energy: -254.572616 where: bonds (distance) C4'-P energy: -83.142 bonds (distance) P-C4' energy: -51.898 flat angles C4'-P-C4' energy: -69.462 flat angles P-C4'-P energy: -40.179 tors. eta vs tors. theta energy: -9.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -308.370227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.370227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.370227 (E_RNA) where: Base-Base interactions energy: -122.206 where: short stacking energy: -92.784 Base-Backbone interact. energy: -0.130 local terms energy: -186.034186 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -70.444 flat angles C4'-P-C4' energy: -25.792 flat angles P-C4'-P energy: -37.636 tors. eta vs tors. theta energy: 3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1304.918177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.918177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.918177 (E_RNA) where: Base-Base interactions energy: -868.872 where: short stacking energy: -366.113 Base-Backbone interact. energy: 0.204 local terms energy: -436.250546 where: bonds (distance) C4'-P energy: -78.330 bonds (distance) P-C4' energy: -92.551 flat angles C4'-P-C4' energy: -86.659 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -114.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1270.370401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.370401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.370401 (E_RNA) where: Base-Base interactions energy: -857.626 where: short stacking energy: -356.457 Base-Backbone interact. energy: -3.120 local terms energy: -409.624840 where: bonds (distance) C4'-P energy: -72.629 bonds (distance) P-C4' energy: -88.568 flat angles C4'-P-C4' energy: -84.224 flat angles P-C4'-P energy: -56.000 tors. eta vs tors. theta energy: -108.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1208.523895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.523895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.523895 (E_RNA) where: Base-Base interactions energy: -809.969 where: short stacking energy: -357.155 Base-Backbone interact. energy: 3.120 local terms energy: -401.674289 where: bonds (distance) C4'-P energy: -82.310 bonds (distance) P-C4' energy: -71.296 flat angles C4'-P-C4' energy: -80.966 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -110.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1150.565481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.565481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.565481 (E_RNA) where: Base-Base interactions energy: -763.219 where: short stacking energy: -322.182 Base-Backbone interact. energy: -1.192 local terms energy: -386.155019 where: bonds (distance) C4'-P energy: -76.372 bonds (distance) P-C4' energy: -83.295 flat angles C4'-P-C4' energy: -74.881 flat angles P-C4'-P energy: -56.190 tors. eta vs tors. theta energy: -95.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1045.847839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.847839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.847839 (E_RNA) where: Base-Base interactions energy: -683.076 where: short stacking energy: -298.458 Base-Backbone interact. energy: -1.314 local terms energy: -361.458292 where: bonds (distance) C4'-P energy: -78.442 bonds (distance) P-C4' energy: -66.427 flat angles C4'-P-C4' energy: -80.277 flat angles P-C4'-P energy: -49.157 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: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -871.952838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.952838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.952838 (E_RNA) where: Base-Base interactions energy: -555.237 where: short stacking energy: -252.269 Base-Backbone interact. energy: 2.169 local terms energy: -318.885270 where: bonds (distance) C4'-P energy: -63.744 bonds (distance) P-C4' energy: -74.689 flat angles C4'-P-C4' energy: -79.362 flat angles P-C4'-P energy: -44.697 tors. eta vs tors. theta energy: -56.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -604.040212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.040212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.040212 (E_RNA) where: Base-Base interactions energy: -341.198 where: short stacking energy: -164.428 Base-Backbone interact. energy: -1.000 local terms energy: -261.841494 where: bonds (distance) C4'-P energy: -71.857 bonds (distance) P-C4' energy: -72.192 flat angles C4'-P-C4' energy: -64.317 flat angles P-C4'-P energy: -22.072 tors. eta vs tors. theta energy: -31.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -486.254820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.254820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.254820 (E_RNA) where: Base-Base interactions energy: -221.929 where: short stacking energy: -107.756 Base-Backbone interact. energy: -1.325 local terms energy: -263.000799 where: bonds (distance) C4'-P energy: -74.382 bonds (distance) P-C4' energy: -72.155 flat angles C4'-P-C4' energy: -72.618 flat angles P-C4'-P energy: -48.771 tors. eta vs tors. theta energy: 4.925 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: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -332.781257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.781257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.781257 (E_RNA) where: Base-Base interactions energy: -121.259 where: short stacking energy: -72.502 Base-Backbone interact. energy: 1.445 local terms energy: -212.967038 where: bonds (distance) C4'-P energy: -59.150 bonds (distance) P-C4' energy: -72.568 flat angles C4'-P-C4' energy: -55.697 flat angles P-C4'-P energy: -35.044 tors. eta vs tors. theta energy: 9.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -415.018358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.018358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.018358 (E_RNA) where: Base-Base interactions energy: -208.161 where: short stacking energy: -114.267 Base-Backbone interact. energy: 1.275 local terms energy: -208.132523 where: bonds (distance) C4'-P energy: -56.345 bonds (distance) P-C4' energy: -76.861 flat angles C4'-P-C4' energy: -55.001 flat angles P-C4'-P energy: -21.986 tors. eta vs tors. theta energy: 2.061 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: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1324.535569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.535569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.535569 (E_RNA) where: Base-Base interactions energy: -893.699 where: short stacking energy: -371.561 Base-Backbone interact. energy: -0.394 local terms energy: -430.442399 where: bonds (distance) C4'-P energy: -84.431 bonds (distance) P-C4' energy: -93.197 flat angles C4'-P-C4' energy: -89.296 flat angles P-C4'-P energy: -52.522 tors. eta vs tors. theta energy: -110.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1273.744142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.744142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.744142 (E_RNA) where: Base-Base interactions energy: -876.946 where: short stacking energy: -351.515 Base-Backbone interact. energy: 1.730 local terms energy: -398.528194 where: bonds (distance) C4'-P energy: -85.515 bonds (distance) P-C4' energy: -74.051 flat angles C4'-P-C4' energy: -82.205 flat angles P-C4'-P energy: -49.421 tors. eta vs tors. theta energy: -107.337 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: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1189.905097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.905097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.905097 (E_RNA) where: Base-Base interactions energy: -781.104 where: short stacking energy: -378.036 Base-Backbone interact. energy: -1.565 local terms energy: -407.236391 where: bonds (distance) C4'-P energy: -74.166 bonds (distance) P-C4' energy: -61.736 flat angles C4'-P-C4' energy: -90.397 flat angles P-C4'-P energy: -66.982 tors. eta vs tors. theta energy: -113.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1143.504579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.504579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.504579 (E_RNA) where: Base-Base interactions energy: -769.745 where: short stacking energy: -349.793 Base-Backbone interact. energy: -4.056 local terms energy: -369.703490 where: bonds (distance) C4'-P energy: -64.043 bonds (distance) P-C4' energy: -71.865 flat angles C4'-P-C4' energy: -73.465 flat angles P-C4'-P energy: -61.628 tors. eta vs tors. theta energy: -98.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -989.478136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.478136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.478136 (E_RNA) where: Base-Base interactions energy: -652.757 where: short stacking energy: -273.206 Base-Backbone interact. energy: -2.481 local terms energy: -334.240197 where: bonds (distance) C4'-P energy: -76.085 bonds (distance) P-C4' energy: -72.188 flat angles C4'-P-C4' energy: -72.340 flat angles P-C4'-P energy: -41.376 tors. eta vs tors. theta energy: -72.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -899.324571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.324571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.324571 (E_RNA) where: Base-Base interactions energy: -567.662 where: short stacking energy: -248.231 Base-Backbone interact. energy: -0.165 local terms energy: -331.496908 where: bonds (distance) C4'-P energy: -68.555 bonds (distance) P-C4' energy: -78.214 flat angles C4'-P-C4' energy: -75.505 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -64.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -604.596007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.596007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.596007 (E_RNA) where: Base-Base interactions energy: -345.803 where: short stacking energy: -174.201 Base-Backbone interact. energy: 6.427 local terms energy: -265.220842 where: bonds (distance) C4'-P energy: -77.769 bonds (distance) P-C4' energy: -66.413 flat angles C4'-P-C4' energy: -59.454 flat angles P-C4'-P energy: -43.365 tors. eta vs tors. theta energy: -18.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -482.553579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.553579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.553579 (E_RNA) where: Base-Base interactions energy: -241.724 where: short stacking energy: -134.180 Base-Backbone interact. energy: -2.246 local terms energy: -238.582807 where: bonds (distance) C4'-P energy: -54.149 bonds (distance) P-C4' energy: -74.043 flat angles C4'-P-C4' energy: -62.906 flat angles P-C4'-P energy: -37.304 tors. eta vs tors. theta energy: -10.181 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: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -351.156450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.156450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.156450 (E_RNA) where: Base-Base interactions energy: -138.934 where: short stacking energy: -113.743 Base-Backbone interact. energy: 2.062 local terms energy: -214.284387 where: bonds (distance) C4'-P energy: -59.707 bonds (distance) P-C4' energy: -73.416 flat angles C4'-P-C4' energy: -59.556 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: 10.212 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: 323 Temperature: 1.350000 Total energy: -402.030935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.030935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.030935 (E_RNA) where: Base-Base interactions energy: -174.061 where: short stacking energy: -113.135 Base-Backbone interact. energy: -0.866 local terms energy: -227.104065 where: bonds (distance) C4'-P energy: -65.715 bonds (distance) P-C4' energy: -65.804 flat angles C4'-P-C4' energy: -53.089 flat angles P-C4'-P energy: -40.142 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1300.797623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.797623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.797623 (E_RNA) where: Base-Base interactions energy: -866.197 where: short stacking energy: -362.785 Base-Backbone interact. energy: -0.627 local terms energy: -433.973083 where: bonds (distance) C4'-P energy: -74.279 bonds (distance) P-C4' energy: -88.425 flat angles C4'-P-C4' energy: -98.922 flat angles P-C4'-P energy: -65.858 tors. eta vs tors. theta energy: -106.489 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: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1248.999846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.999846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.999846 (E_RNA) where: Base-Base interactions energy: -845.691 where: short stacking energy: -340.563 Base-Backbone interact. energy: -1.552 local terms energy: -401.757551 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -76.339 flat angles C4'-P-C4' energy: -81.185 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -104.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1181.046416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.046416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.046416 (E_RNA) where: Base-Base interactions energy: -797.464 where: short stacking energy: -352.543 Base-Backbone interact. energy: 0.437 local terms energy: -384.018754 where: bonds (distance) C4'-P energy: -68.979 bonds (distance) P-C4' energy: -75.017 flat angles C4'-P-C4' energy: -79.988 flat angles P-C4'-P energy: -57.565 tors. eta vs tors. theta energy: -102.469 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: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1146.768762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.768762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.768762 (E_RNA) where: Base-Base interactions energy: -745.186 where: short stacking energy: -343.190 Base-Backbone interact. energy: -2.758 local terms energy: -398.825551 where: bonds (distance) C4'-P energy: -66.084 bonds (distance) P-C4' energy: -87.117 flat angles C4'-P-C4' energy: -78.217 flat angles P-C4'-P energy: -62.161 tors. eta vs tors. theta energy: -105.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -918.565026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.565026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.565026 (E_RNA) where: Base-Base interactions energy: -613.749 where: short stacking energy: -244.465 Base-Backbone interact. energy: -0.262 local terms energy: -304.553787 where: bonds (distance) C4'-P energy: -54.531 bonds (distance) P-C4' energy: -62.117 flat angles C4'-P-C4' energy: -76.773 flat angles P-C4'-P energy: -53.254 tors. eta vs tors. theta energy: -57.878 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: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -906.684610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.684610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.684610 (E_RNA) where: Base-Base interactions energy: -585.823 where: short stacking energy: -257.449 Base-Backbone interact. energy: -0.946 local terms energy: -319.916293 where: bonds (distance) C4'-P energy: -69.563 bonds (distance) P-C4' energy: -77.822 flat angles C4'-P-C4' energy: -65.171 flat angles P-C4'-P energy: -41.034 tors. eta vs tors. theta energy: -66.327 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: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -615.637043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.637043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.637043 (E_RNA) where: Base-Base interactions energy: -352.463 where: short stacking energy: -169.680 Base-Backbone interact. energy: 0.808 local terms energy: -263.982068 where: bonds (distance) C4'-P energy: -74.737 bonds (distance) P-C4' energy: -60.326 flat angles C4'-P-C4' energy: -59.054 flat angles P-C4'-P energy: -47.508 tors. eta vs tors. theta energy: -22.358 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: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -425.395173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.395173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.395173 (E_RNA) where: Base-Base interactions energy: -197.386 where: short stacking energy: -129.956 Base-Backbone interact. energy: -1.345 local terms energy: -226.663738 where: bonds (distance) C4'-P energy: -69.654 bonds (distance) P-C4' energy: -59.887 flat angles C4'-P-C4' energy: -51.748 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -402.949157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.949157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.949157 (E_RNA) where: Base-Base interactions energy: -164.420 where: short stacking energy: -106.696 Base-Backbone interact. energy: -0.547 local terms energy: -237.982358 where: bonds (distance) C4'-P energy: -56.004 bonds (distance) P-C4' energy: -76.259 flat angles C4'-P-C4' energy: -66.492 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: 8.909 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: 324 Temperature: 1.350000 Total energy: -336.636895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.636895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.636895 (E_RNA) where: Base-Base interactions energy: -123.355 where: short stacking energy: -94.866 Base-Backbone interact. energy: -0.837 local terms energy: -212.444904 where: bonds (distance) C4'-P energy: -65.932 bonds (distance) P-C4' energy: -63.893 flat angles C4'-P-C4' energy: -53.045 flat angles P-C4'-P energy: -31.057 tors. eta vs tors. theta energy: 1.482 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: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1302.742161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.742161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.742161 (E_RNA) where: Base-Base interactions energy: -880.890 where: short stacking energy: -380.509 Base-Backbone interact. energy: -0.746 local terms energy: -421.106359 where: bonds (distance) C4'-P energy: -82.756 bonds (distance) P-C4' energy: -82.081 flat angles C4'-P-C4' energy: -86.899 flat angles P-C4'-P energy: -54.917 tors. eta vs tors. theta energy: -114.453 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: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1264.537319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.537319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.537319 (E_RNA) where: Base-Base interactions energy: -852.078 where: short stacking energy: -367.133 Base-Backbone interact. energy: -1.450 local terms energy: -411.009505 where: bonds (distance) C4'-P energy: -86.590 bonds (distance) P-C4' energy: -78.006 flat angles C4'-P-C4' energy: -84.289 flat angles P-C4'-P energy: -59.335 tors. eta vs tors. theta energy: -102.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1189.067011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.067011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.067011 (E_RNA) where: Base-Base interactions energy: -796.218 where: short stacking energy: -370.278 Base-Backbone interact. energy: -1.651 local terms energy: -391.198773 where: bonds (distance) C4'-P energy: -73.149 bonds (distance) P-C4' energy: -72.426 flat angles C4'-P-C4' energy: -78.496 flat angles P-C4'-P energy: -59.554 tors. eta vs tors. theta energy: -107.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1118.788370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.788370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.788370 (E_RNA) where: Base-Base interactions energy: -733.661 where: short stacking energy: -313.053 Base-Backbone interact. energy: -3.424 local terms energy: -381.702566 where: bonds (distance) C4'-P energy: -70.034 bonds (distance) P-C4' energy: -72.859 flat angles C4'-P-C4' energy: -78.939 flat angles P-C4'-P energy: -56.226 tors. eta vs tors. theta energy: -103.645 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: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -951.403910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.403910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.403910 (E_RNA) where: Base-Base interactions energy: -614.808 where: short stacking energy: -263.589 Base-Backbone interact. energy: -0.916 local terms energy: -335.678940 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -77.846 flat angles C4'-P-C4' energy: -70.797 flat angles P-C4'-P energy: -53.164 tors. eta vs tors. theta energy: -65.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -844.638401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.638401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.638401 (E_RNA) where: Base-Base interactions energy: -540.637 where: short stacking energy: -242.014 Base-Backbone interact. energy: 2.059 local terms energy: -306.059859 where: bonds (distance) C4'-P energy: -62.915 bonds (distance) P-C4' energy: -68.728 flat angles C4'-P-C4' energy: -61.160 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -63.777 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: 325 Temperature: 1.200000 Total energy: -598.585664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.585664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.585664 (E_RNA) where: Base-Base interactions energy: -341.050 where: short stacking energy: -166.161 Base-Backbone interact. energy: -3.409 local terms energy: -254.126348 where: bonds (distance) C4'-P energy: -52.446 bonds (distance) P-C4' energy: -73.839 flat angles C4'-P-C4' energy: -65.843 flat angles P-C4'-P energy: -38.455 tors. eta vs tors. theta energy: -23.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -444.116890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.116890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.116890 (E_RNA) where: Base-Base interactions energy: -206.308 where: short stacking energy: -104.843 Base-Backbone interact. energy: -1.806 local terms energy: -236.003163 where: bonds (distance) C4'-P energy: -55.358 bonds (distance) P-C4' energy: -82.214 flat angles C4'-P-C4' energy: -59.586 flat angles P-C4'-P energy: -39.878 tors. eta vs tors. theta energy: 1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -398.061047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.061047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.061047 (E_RNA) where: Base-Base interactions energy: -209.887 where: short stacking energy: -129.120 Base-Backbone interact. energy: 0.436 local terms energy: -188.610593 where: bonds (distance) C4'-P energy: -49.052 bonds (distance) P-C4' energy: -65.718 flat angles C4'-P-C4' energy: -54.124 flat angles P-C4'-P energy: -28.122 tors. eta vs tors. theta energy: 8.406 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: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -329.568845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.568845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.568845 (E_RNA) where: Base-Base interactions energy: -115.497 where: short stacking energy: -90.307 Base-Backbone interact. energy: 0.096 local terms energy: -214.168273 where: bonds (distance) C4'-P energy: -69.168 bonds (distance) P-C4' energy: -74.738 flat angles C4'-P-C4' energy: -46.722 flat angles P-C4'-P energy: -38.754 tors. eta vs tors. theta energy: 15.215 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: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1271.974606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.974606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.974606 (E_RNA) where: Base-Base interactions energy: -854.361 where: short stacking energy: -365.027 Base-Backbone interact. energy: -1.498 local terms energy: -416.115252 where: bonds (distance) C4'-P energy: -77.682 bonds (distance) P-C4' energy: -77.887 flat angles C4'-P-C4' energy: -87.502 flat angles P-C4'-P energy: -63.234 tors. eta vs tors. theta energy: -109.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1260.788782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.788782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.788782 (E_RNA) where: Base-Base interactions energy: -862.844 where: short stacking energy: -366.675 Base-Backbone interact. energy: -2.299 local terms energy: -395.645505 where: bonds (distance) C4'-P energy: -71.847 bonds (distance) P-C4' energy: -84.034 flat angles C4'-P-C4' energy: -88.478 flat angles P-C4'-P energy: -42.608 tors. eta vs tors. theta energy: -108.679 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: 326 Temperature: 1.000000 Total energy: -1174.634105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.634105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.634105 (E_RNA) where: Base-Base interactions energy: -789.347 where: short stacking energy: -344.746 Base-Backbone interact. energy: -2.118 local terms energy: -383.169501 where: bonds (distance) C4'-P energy: -48.570 bonds (distance) P-C4' energy: -69.617 flat angles C4'-P-C4' energy: -89.141 flat angles P-C4'-P energy: -59.640 tors. eta vs tors. theta energy: -116.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1108.890143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.890143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.890143 (E_RNA) where: Base-Base interactions energy: -729.991 where: short stacking energy: -314.181 Base-Backbone interact. energy: -1.382 local terms energy: -377.517731 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -79.877 flat angles C4'-P-C4' energy: -83.207 flat angles P-C4'-P energy: -56.581 tors. eta vs tors. theta energy: -95.538 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: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -988.968959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.968959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.968959 (E_RNA) where: Base-Base interactions energy: -639.072 where: short stacking energy: -268.565 Base-Backbone interact. energy: -2.007 local terms energy: -347.889792 where: bonds (distance) C4'-P energy: -65.994 bonds (distance) P-C4' energy: -74.704 flat angles C4'-P-C4' energy: -83.802 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: -70.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -886.846891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.846891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.846891 (E_RNA) where: Base-Base interactions energy: -551.549 where: short stacking energy: -250.681 Base-Backbone interact. energy: -1.901 local terms energy: -333.397254 where: bonds (distance) C4'-P energy: -66.399 bonds (distance) P-C4' energy: -71.718 flat angles C4'-P-C4' energy: -81.038 flat angles P-C4'-P energy: -45.345 tors. eta vs tors. theta energy: -68.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -604.838448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.838448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.838448 (E_RNA) where: Base-Base interactions energy: -330.476 where: short stacking energy: -175.856 Base-Backbone interact. energy: -3.302 local terms energy: -271.060371 where: bonds (distance) C4'-P energy: -72.998 bonds (distance) P-C4' energy: -75.424 flat angles C4'-P-C4' energy: -62.661 flat angles P-C4'-P energy: -40.657 tors. eta vs tors. theta energy: -19.320 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: 326 Temperature: 1.250000 Total energy: -460.435428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.435428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.435428 (E_RNA) where: Base-Base interactions energy: -222.449 where: short stacking energy: -120.616 Base-Backbone interact. energy: -1.169 local terms energy: -236.817430 where: bonds (distance) C4'-P energy: -61.041 bonds (distance) P-C4' energy: -77.927 flat angles C4'-P-C4' energy: -56.268 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -421.982350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.982350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.982350 (E_RNA) where: Base-Base interactions energy: -203.439 where: short stacking energy: -101.504 Base-Backbone interact. energy: -1.060 local terms energy: -217.483749 where: bonds (distance) C4'-P energy: -61.403 bonds (distance) P-C4' energy: -54.945 flat angles C4'-P-C4' energy: -67.910 flat angles P-C4'-P energy: -43.720 tors. eta vs tors. theta energy: 10.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -309.861255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.861255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.861255 (E_RNA) where: Base-Base interactions energy: -124.650 where: short stacking energy: -69.935 Base-Backbone interact. energy: -1.103 local terms energy: -184.108538 where: bonds (distance) C4'-P energy: -55.053 bonds (distance) P-C4' energy: -56.809 flat angles C4'-P-C4' energy: -49.328 flat angles P-C4'-P energy: -35.730 tors. eta vs tors. theta energy: 12.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1292.699095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.699095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.699095 (E_RNA) where: Base-Base interactions energy: -880.915 where: short stacking energy: -376.023 Base-Backbone interact. energy: -1.596 local terms energy: -410.188473 where: bonds (distance) C4'-P energy: -73.816 bonds (distance) P-C4' energy: -70.868 flat angles C4'-P-C4' energy: -89.902 flat angles P-C4'-P energy: -66.101 tors. eta vs tors. theta energy: -109.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1292.749126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.749126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.749126 (E_RNA) where: Base-Base interactions energy: -876.911 where: short stacking energy: -371.710 Base-Backbone interact. energy: -2.481 local terms energy: -413.357571 where: bonds (distance) C4'-P energy: -77.937 bonds (distance) P-C4' energy: -74.042 flat angles C4'-P-C4' energy: -94.391 flat angles P-C4'-P energy: -53.328 tors. eta vs tors. theta energy: -113.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1192.485404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.485404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.485404 (E_RNA) where: Base-Base interactions energy: -776.853 where: short stacking energy: -350.597 Base-Backbone interact. energy: -1.944 local terms energy: -413.688481 where: bonds (distance) C4'-P energy: -68.583 bonds (distance) P-C4' energy: -83.043 flat angles C4'-P-C4' energy: -87.254 flat angles P-C4'-P energy: -63.006 tors. eta vs tors. theta energy: -111.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1141.725683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.725683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.725683 (E_RNA) where: Base-Base interactions energy: -767.443 where: short stacking energy: -338.702 Base-Backbone interact. energy: -1.074 local terms energy: -373.208664 where: bonds (distance) C4'-P energy: -70.692 bonds (distance) P-C4' energy: -70.749 flat angles C4'-P-C4' energy: -74.468 flat angles P-C4'-P energy: -49.138 tors. eta vs tors. theta energy: -108.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -915.617186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.617186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.617186 (E_RNA) where: Base-Base interactions energy: -599.428 where: short stacking energy: -248.177 Base-Backbone interact. energy: -0.439 local terms energy: -315.749475 where: bonds (distance) C4'-P energy: -69.806 bonds (distance) P-C4' energy: -72.796 flat angles C4'-P-C4' energy: -68.099 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -59.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -907.402891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.402891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.402891 (E_RNA) where: Base-Base interactions energy: -572.631 where: short stacking energy: -244.364 Base-Backbone interact. energy: -1.055 local terms energy: -333.716040 where: bonds (distance) C4'-P energy: -66.228 bonds (distance) P-C4' energy: -60.350 flat angles C4'-P-C4' energy: -83.098 flat angles P-C4'-P energy: -52.437 tors. eta vs tors. theta energy: -71.603 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: 9 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -622.715057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.715057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.715057 (E_RNA) where: Base-Base interactions energy: -350.225 where: short stacking energy: -185.683 Base-Backbone interact. energy: -2.808 local terms energy: -269.681599 where: bonds (distance) C4'-P energy: -69.638 bonds (distance) P-C4' energy: -74.471 flat angles C4'-P-C4' energy: -61.807 flat angles P-C4'-P energy: -37.722 tors. eta vs tors. theta energy: -26.042 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: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -489.982816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.982816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.982816 (E_RNA) where: Base-Base interactions energy: -241.396 where: short stacking energy: -124.688 Base-Backbone interact. energy: 5.679 local terms energy: -254.265566 where: bonds (distance) C4'-P energy: -67.925 bonds (distance) P-C4' energy: -75.830 flat angles C4'-P-C4' energy: -74.359 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: -4.405 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: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -424.023901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.023901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.023901 (E_RNA) where: Base-Base interactions energy: -186.137 where: short stacking energy: -94.784 Base-Backbone interact. energy: -3.326 local terms energy: -234.560874 where: bonds (distance) C4'-P energy: -68.178 bonds (distance) P-C4' energy: -67.513 flat angles C4'-P-C4' energy: -55.202 flat angles P-C4'-P energy: -40.163 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -304.991903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.991903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.991903 (E_RNA) where: Base-Base interactions energy: -109.216 where: short stacking energy: -82.676 Base-Backbone interact. energy: 3.452 local terms energy: -199.227994 where: bonds (distance) C4'-P energy: -52.026 bonds (distance) P-C4' energy: -78.689 flat angles C4'-P-C4' energy: -66.611 flat angles P-C4'-P energy: -14.147 tors. eta vs tors. theta energy: 12.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1335.747544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.747544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.747544 (E_RNA) where: Base-Base interactions energy: -907.594 where: short stacking energy: -402.087 Base-Backbone interact. energy: -1.300 local terms energy: -426.853023 where: bonds (distance) C4'-P energy: -75.764 bonds (distance) P-C4' energy: -77.839 flat angles C4'-P-C4' energy: -92.327 flat angles P-C4'-P energy: -56.676 tors. eta vs tors. theta energy: -124.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1252.085479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.085479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.085479 (E_RNA) where: Base-Base interactions energy: -854.859 where: short stacking energy: -350.005 Base-Backbone interact. energy: -1.734 local terms energy: -395.491711 where: bonds (distance) C4'-P energy: -76.152 bonds (distance) P-C4' energy: -64.976 flat angles C4'-P-C4' energy: -88.924 flat angles P-C4'-P energy: -64.470 tors. eta vs tors. theta energy: -100.970 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: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1189.105649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.105649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.105649 (E_RNA) where: Base-Base interactions energy: -791.073 where: short stacking energy: -330.752 Base-Backbone interact. energy: -1.784 local terms energy: -396.248380 where: bonds (distance) C4'-P energy: -83.794 bonds (distance) P-C4' energy: -82.559 flat angles C4'-P-C4' energy: -84.620 flat angles P-C4'-P energy: -50.865 tors. eta vs tors. theta energy: -94.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1126.393753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.393753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.393753 (E_RNA) where: Base-Base interactions energy: -732.719 where: short stacking energy: -310.072 Base-Backbone interact. energy: -2.464 local terms energy: -391.211102 where: bonds (distance) C4'-P energy: -73.842 bonds (distance) P-C4' energy: -82.212 flat angles C4'-P-C4' energy: -91.126 flat angles P-C4'-P energy: -56.325 tors. eta vs tors. theta energy: -87.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -944.248411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.248411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.248411 (E_RNA) where: Base-Base interactions energy: -606.771 where: short stacking energy: -270.242 Base-Backbone interact. energy: -2.062 local terms energy: -335.415724 where: bonds (distance) C4'-P energy: -75.099 bonds (distance) P-C4' energy: -70.502 flat angles C4'-P-C4' energy: -78.246 flat angles P-C4'-P energy: -51.455 tors. eta vs tors. theta energy: -60.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -921.858246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.858246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.858246 (E_RNA) where: Base-Base interactions energy: -597.905 where: short stacking energy: -264.736 Base-Backbone interact. energy: -2.087 local terms energy: -321.865383 where: bonds (distance) C4'-P energy: -65.069 bonds (distance) P-C4' energy: -71.658 flat angles C4'-P-C4' energy: -68.263 flat angles P-C4'-P energy: -41.503 tors. eta vs tors. theta energy: -75.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -603.547154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.547154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.547154 (E_RNA) where: Base-Base interactions energy: -345.346 where: short stacking energy: -188.346 Base-Backbone interact. energy: -1.243 local terms energy: -256.958187 where: bonds (distance) C4'-P energy: -65.161 bonds (distance) P-C4' energy: -62.636 flat angles C4'-P-C4' energy: -53.748 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: -27.932 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: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -503.757280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.757280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.757280 (E_RNA) where: Base-Base interactions energy: -254.590 where: short stacking energy: -130.229 Base-Backbone interact. energy: -0.926 local terms energy: -248.241092 where: bonds (distance) C4'-P energy: -72.124 bonds (distance) P-C4' energy: -76.808 flat angles C4'-P-C4' energy: -54.098 flat angles P-C4'-P energy: -40.130 tors. eta vs tors. theta energy: -5.082 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: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -445.671936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.671936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.671936 (E_RNA) where: Base-Base interactions energy: -211.087 where: short stacking energy: -119.778 Base-Backbone interact. energy: -1.210 local terms energy: -233.374495 where: bonds (distance) C4'-P energy: -64.696 bonds (distance) P-C4' energy: -60.184 flat angles C4'-P-C4' energy: -65.888 flat angles P-C4'-P energy: -34.014 tors. eta vs tors. theta energy: -8.592 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: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -326.967281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.967281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.967281 (E_RNA) where: Base-Base interactions energy: -118.971 where: short stacking energy: -86.150 Base-Backbone interact. energy: 0.675 local terms energy: -208.671515 where: bonds (distance) C4'-P energy: -73.641 bonds (distance) P-C4' energy: -58.569 flat angles C4'-P-C4' energy: -59.652 flat angles P-C4'-P energy: -29.616 tors. eta vs tors. theta energy: 12.807 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: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1326.466127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.466127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.466127 (E_RNA) where: Base-Base interactions energy: -899.872 where: short stacking energy: -368.508 Base-Backbone interact. energy: -0.335 local terms energy: -426.259186 where: bonds (distance) C4'-P energy: -76.258 bonds (distance) P-C4' energy: -82.771 flat angles C4'-P-C4' energy: -95.920 flat angles P-C4'-P energy: -56.973 tors. eta vs tors. theta energy: -114.337 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: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1269.239342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.239342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.239342 (E_RNA) where: Base-Base interactions energy: -856.836 where: short stacking energy: -359.086 Base-Backbone interact. energy: -2.010 local terms energy: -410.392907 where: bonds (distance) C4'-P energy: -83.676 bonds (distance) P-C4' energy: -78.053 flat angles C4'-P-C4' energy: -86.212 flat angles P-C4'-P energy: -60.804 tors. eta vs tors. theta energy: -101.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1176.296861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.296861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.296861 (E_RNA) where: Base-Base interactions energy: -782.481 where: short stacking energy: -363.173 Base-Backbone interact. energy: 1.419 local terms energy: -395.234951 where: bonds (distance) C4'-P energy: -68.181 bonds (distance) P-C4' energy: -78.724 flat angles C4'-P-C4' energy: -90.056 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -108.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1132.326205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.326205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.326205 (E_RNA) where: Base-Base interactions energy: -757.051 where: short stacking energy: -336.325 Base-Backbone interact. energy: 0.736 local terms energy: -376.010551 where: bonds (distance) C4'-P energy: -70.403 bonds (distance) P-C4' energy: -71.811 flat angles C4'-P-C4' energy: -81.216 flat angles P-C4'-P energy: -50.997 tors. eta vs tors. theta energy: -101.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -999.468806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.468806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.468806 (E_RNA) where: Base-Base interactions energy: -665.317 where: short stacking energy: -298.194 Base-Backbone interact. energy: 0.265 local terms energy: -334.416478 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -70.479 flat angles C4'-P-C4' energy: -69.557 flat angles P-C4'-P energy: -37.121 tors. eta vs tors. theta energy: -79.792 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: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -867.065688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.065688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.065688 (E_RNA) where: Base-Base interactions energy: -568.781 where: short stacking energy: -228.931 Base-Backbone interact. energy: 1.981 local terms energy: -300.265481 where: bonds (distance) C4'-P energy: -64.419 bonds (distance) P-C4' energy: -62.184 flat angles C4'-P-C4' energy: -70.774 flat angles P-C4'-P energy: -50.365 tors. eta vs tors. theta energy: -52.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -610.675726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.675726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.675726 (E_RNA) where: Base-Base interactions energy: -349.360 where: short stacking energy: -172.796 Base-Backbone interact. energy: 8.059 local terms energy: -269.373965 where: bonds (distance) C4'-P energy: -72.419 bonds (distance) P-C4' energy: -72.514 flat angles C4'-P-C4' energy: -66.756 flat angles P-C4'-P energy: -40.795 tors. eta vs tors. theta energy: -16.890 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: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -461.936088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.936088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.936088 (E_RNA) where: Base-Base interactions energy: -205.917 where: short stacking energy: -127.746 Base-Backbone interact. energy: -1.453 local terms energy: -254.566238 where: bonds (distance) C4'-P energy: -67.236 bonds (distance) P-C4' energy: -75.496 flat angles C4'-P-C4' energy: -59.849 flat angles P-C4'-P energy: -32.469 tors. eta vs tors. theta energy: -19.516 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: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -428.486904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.486904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.486904 (E_RNA) where: Base-Base interactions energy: -178.718 where: short stacking energy: -114.243 Base-Backbone interact. energy: -0.668 local terms energy: -249.100904 where: bonds (distance) C4'-P energy: -73.895 bonds (distance) P-C4' energy: -71.485 flat angles C4'-P-C4' energy: -59.135 flat angles P-C4'-P energy: -37.526 tors. eta vs tors. theta energy: -7.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -330.436688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.436688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.436688 (E_RNA) where: Base-Base interactions energy: -138.871 where: short stacking energy: -96.131 Base-Backbone interact. energy: 7.598 local terms energy: -199.164122 where: bonds (distance) C4'-P energy: -62.391 bonds (distance) P-C4' energy: -72.754 flat angles C4'-P-C4' energy: -52.624 flat angles P-C4'-P energy: -17.902 tors. eta vs tors. theta energy: 6.507 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: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1341.875305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.875305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.875305 (E_RNA) where: Base-Base interactions energy: -925.872 where: short stacking energy: -383.151 Base-Backbone interact. energy: -1.931 local terms energy: -414.072216 where: bonds (distance) C4'-P energy: -73.973 bonds (distance) P-C4' energy: -80.192 flat angles C4'-P-C4' energy: -90.874 flat angles P-C4'-P energy: -56.982 tors. eta vs tors. theta energy: -112.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1244.936866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.936866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.936866 (E_RNA) where: Base-Base interactions energy: -837.045 where: short stacking energy: -370.182 Base-Backbone interact. energy: 1.459 local terms energy: -409.350719 where: bonds (distance) C4'-P energy: -66.119 bonds (distance) P-C4' energy: -81.113 flat angles C4'-P-C4' energy: -89.241 flat angles P-C4'-P energy: -60.566 tors. eta vs tors. theta energy: -112.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1164.824248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.824248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.824248 (E_RNA) where: Base-Base interactions energy: -768.284 where: short stacking energy: -334.652 Base-Backbone interact. energy: 0.004 local terms energy: -396.544329 where: bonds (distance) C4'-P energy: -69.133 bonds (distance) P-C4' energy: -83.969 flat angles C4'-P-C4' energy: -86.961 flat angles P-C4'-P energy: -56.684 tors. eta vs tors. theta energy: -99.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1154.170918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.170918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.170918 (E_RNA) where: Base-Base interactions energy: -755.885 where: short stacking energy: -344.388 Base-Backbone interact. energy: -0.485 local terms energy: -397.800929 where: bonds (distance) C4'-P energy: -73.922 bonds (distance) P-C4' energy: -77.964 flat angles C4'-P-C4' energy: -78.159 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -114.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1013.811943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.811943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.811943 (E_RNA) where: Base-Base interactions energy: -693.662 where: short stacking energy: -290.781 Base-Backbone interact. energy: -0.873 local terms energy: -319.277699 where: bonds (distance) C4'-P energy: -74.218 bonds (distance) P-C4' energy: -63.255 flat angles C4'-P-C4' energy: -62.856 flat angles P-C4'-P energy: -41.459 tors. eta vs tors. theta energy: -77.489 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: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -893.404966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.404966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.404966 (E_RNA) where: Base-Base interactions energy: -566.812 where: short stacking energy: -234.587 Base-Backbone interact. energy: -2.037 local terms energy: -324.556003 where: bonds (distance) C4'-P energy: -70.011 bonds (distance) P-C4' energy: -68.153 flat angles C4'-P-C4' energy: -76.991 flat angles P-C4'-P energy: -50.420 tors. eta vs tors. theta energy: -58.981 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: 9 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -642.507357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.507357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.507357 (E_RNA) where: Base-Base interactions energy: -362.098 where: short stacking energy: -185.324 Base-Backbone interact. energy: 2.200 local terms energy: -282.609452 where: bonds (distance) C4'-P energy: -77.889 bonds (distance) P-C4' energy: -77.159 flat angles C4'-P-C4' energy: -62.778 flat angles P-C4'-P energy: -43.440 tors. eta vs tors. theta energy: -21.343 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: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -505.941913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.941913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.941913 (E_RNA) where: Base-Base interactions energy: -270.607 where: short stacking energy: -142.512 Base-Backbone interact. energy: 3.934 local terms energy: -239.268872 where: bonds (distance) C4'-P energy: -73.828 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -56.619 flat angles P-C4'-P energy: -29.468 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -346.447049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.447049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.447049 (E_RNA) where: Base-Base interactions energy: -126.328 where: short stacking energy: -95.490 Base-Backbone interact. energy: 0.892 local terms energy: -221.010431 where: bonds (distance) C4'-P energy: -60.657 bonds (distance) P-C4' energy: -63.729 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -35.121 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -305.470364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.470364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.470364 (E_RNA) where: Base-Base interactions energy: -96.950 where: short stacking energy: -49.356 Base-Backbone interact. energy: -1.262 local terms energy: -207.259019 where: bonds (distance) C4'-P energy: -59.787 bonds (distance) P-C4' energy: -70.330 flat angles C4'-P-C4' energy: -52.781 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: 20.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1336.021167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.021167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.021167 (E_RNA) where: Base-Base interactions energy: -923.497 where: short stacking energy: -406.180 Base-Backbone interact. energy: 0.059 local terms energy: -412.583500 where: bonds (distance) C4'-P energy: -84.360 bonds (distance) P-C4' energy: -78.971 flat angles C4'-P-C4' energy: -77.126 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -120.768 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: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1263.024675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.024675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.024675 (E_RNA) where: Base-Base interactions energy: -855.754 where: short stacking energy: -364.354 Base-Backbone interact. energy: 0.527 local terms energy: -407.798243 where: bonds (distance) C4'-P energy: -75.982 bonds (distance) P-C4' energy: -70.330 flat angles C4'-P-C4' energy: -90.527 flat angles P-C4'-P energy: -59.685 tors. eta vs tors. theta energy: -111.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1176.108314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.108314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.108314 (E_RNA) where: Base-Base interactions energy: -753.183 where: short stacking energy: -339.988 Base-Backbone interact. energy: -2.654 local terms energy: -420.271306 where: bonds (distance) C4'-P energy: -79.728 bonds (distance) P-C4' energy: -88.259 flat angles C4'-P-C4' energy: -92.547 flat angles P-C4'-P energy: -58.532 tors. eta vs tors. theta energy: -101.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1174.943678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.943678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.943678 (E_RNA) where: Base-Base interactions energy: -788.596 where: short stacking energy: -348.148 Base-Backbone interact. energy: 0.424 local terms energy: -386.771468 where: bonds (distance) C4'-P energy: -75.526 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -80.374 flat angles P-C4'-P energy: -57.222 tors. eta vs tors. theta energy: -102.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1036.672647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.672647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.672647 (E_RNA) where: Base-Base interactions energy: -667.142 where: short stacking energy: -276.784 Base-Backbone interact. energy: -5.690 local terms energy: -363.840793 where: bonds (distance) C4'-P energy: -73.719 bonds (distance) P-C4' energy: -71.993 flat angles C4'-P-C4' energy: -81.812 flat angles P-C4'-P energy: -53.412 tors. eta vs tors. theta energy: -82.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -904.892865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.892865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.892865 (E_RNA) where: Base-Base interactions energy: -582.719 where: short stacking energy: -245.050 Base-Backbone interact. energy: 0.094 local terms energy: -322.268169 where: bonds (distance) C4'-P energy: -55.518 bonds (distance) P-C4' energy: -73.301 flat angles C4'-P-C4' energy: -82.990 flat angles P-C4'-P energy: -55.360 tors. eta vs tors. theta energy: -55.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -602.000879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.000879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.000879 (E_RNA) where: Base-Base interactions energy: -327.656 where: short stacking energy: -155.942 Base-Backbone interact. energy: -1.788 local terms energy: -272.556780 where: bonds (distance) C4'-P energy: -74.325 bonds (distance) P-C4' energy: -81.163 flat angles C4'-P-C4' energy: -62.208 flat angles P-C4'-P energy: -40.336 tors. eta vs tors. theta energy: -14.524 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: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -480.768174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.768174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.768174 (E_RNA) where: Base-Base interactions energy: -238.783 where: short stacking energy: -128.540 Base-Backbone interact. energy: 7.720 local terms energy: -249.705149 where: bonds (distance) C4'-P energy: -65.428 bonds (distance) P-C4' energy: -57.169 flat angles C4'-P-C4' energy: -57.021 flat angles P-C4'-P energy: -53.845 tors. eta vs tors. theta energy: -16.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -335.117237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.117237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.117237 (E_RNA) where: Base-Base interactions energy: -116.531 where: short stacking energy: -96.723 Base-Backbone interact. energy: 2.328 local terms energy: -220.914751 where: bonds (distance) C4'-P energy: -68.073 bonds (distance) P-C4' energy: -74.547 flat angles C4'-P-C4' energy: -59.927 flat angles P-C4'-P energy: -27.585 tors. eta vs tors. theta energy: 9.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -316.750742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.750742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.750742 (E_RNA) where: Base-Base interactions energy: -115.989 where: short stacking energy: -90.820 Base-Backbone interact. energy: 1.200 local terms energy: -201.961954 where: bonds (distance) C4'-P energy: -54.979 bonds (distance) P-C4' energy: -85.492 flat angles C4'-P-C4' energy: -64.548 flat angles P-C4'-P energy: -24.386 tors. eta vs tors. theta energy: 27.444 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: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1327.909341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.909341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.909341 (E_RNA) where: Base-Base interactions energy: -900.931 where: short stacking energy: -387.344 Base-Backbone interact. energy: -0.952 local terms energy: -426.026583 where: bonds (distance) C4'-P energy: -73.630 bonds (distance) P-C4' energy: -78.274 flat angles C4'-P-C4' energy: -94.665 flat angles P-C4'-P energy: -59.364 tors. eta vs tors. theta energy: -120.093 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: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1249.013386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.013386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.013386 (E_RNA) where: Base-Base interactions energy: -844.404 where: short stacking energy: -354.597 Base-Backbone interact. energy: -2.680 local terms energy: -401.929081 where: bonds (distance) C4'-P energy: -81.041 bonds (distance) P-C4' energy: -75.631 flat angles C4'-P-C4' energy: -89.717 flat angles P-C4'-P energy: -52.866 tors. eta vs tors. theta energy: -102.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1175.673975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.673975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.673975 (E_RNA) where: Base-Base interactions energy: -780.218 where: short stacking energy: -356.554 Base-Backbone interact. energy: -1.968 local terms energy: -393.488628 where: bonds (distance) C4'-P energy: -62.124 bonds (distance) P-C4' energy: -78.193 flat angles C4'-P-C4' energy: -84.288 flat angles P-C4'-P energy: -60.033 tors. eta vs tors. theta energy: -108.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1171.749381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.749381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.749381 (E_RNA) where: Base-Base interactions energy: -789.241 where: short stacking energy: -344.381 Base-Backbone interact. energy: -2.156 local terms energy: -380.352476 where: bonds (distance) C4'-P energy: -79.957 bonds (distance) P-C4' energy: -63.055 flat angles C4'-P-C4' energy: -92.062 flat angles P-C4'-P energy: -49.842 tors. eta vs tors. theta energy: -95.437 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: 8 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1060.659756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.659756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.659756 (E_RNA) where: Base-Base interactions energy: -722.234 where: short stacking energy: -295.936 Base-Backbone interact. energy: -2.290 local terms energy: -336.135700 where: bonds (distance) C4'-P energy: -75.634 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -77.442 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -76.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -844.118240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.118240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.118240 (E_RNA) where: Base-Base interactions energy: -524.828 where: short stacking energy: -226.055 Base-Backbone interact. energy: 0.380 local terms energy: -319.670326 where: bonds (distance) C4'-P energy: -68.118 bonds (distance) P-C4' energy: -80.472 flat angles C4'-P-C4' energy: -74.715 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -47.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -612.686014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.686014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.686014 (E_RNA) where: Base-Base interactions energy: -332.000 where: short stacking energy: -158.917 Base-Backbone interact. energy: 1.214 local terms energy: -281.899578 where: bonds (distance) C4'-P energy: -68.968 bonds (distance) P-C4' energy: -66.413 flat angles C4'-P-C4' energy: -78.256 flat angles P-C4'-P energy: -43.630 tors. eta vs tors. theta energy: -24.632 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: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -438.244986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.244986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.244986 (E_RNA) where: Base-Base interactions energy: -210.964 where: short stacking energy: -117.237 Base-Backbone interact. energy: -3.334 local terms energy: -223.946445 where: bonds (distance) C4'-P energy: -49.788 bonds (distance) P-C4' energy: -70.310 flat angles C4'-P-C4' energy: -42.184 flat angles P-C4'-P energy: -52.529 tors. eta vs tors. theta energy: -9.135 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: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -358.938415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.938415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.938415 (E_RNA) where: Base-Base interactions energy: -127.725 where: short stacking energy: -82.901 Base-Backbone interact. energy: -1.210 local terms energy: -230.002809 where: bonds (distance) C4'-P energy: -70.005 bonds (distance) P-C4' energy: -68.447 flat angles C4'-P-C4' energy: -57.869 flat angles P-C4'-P energy: -43.642 tors. eta vs tors. theta energy: 9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -333.147984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.147984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.147984 (E_RNA) where: Base-Base interactions energy: -140.355 where: short stacking energy: -90.548 Base-Backbone interact. energy: -0.362 local terms energy: -192.431021 where: bonds (distance) C4'-P energy: -64.465 bonds (distance) P-C4' energy: -66.011 flat angles C4'-P-C4' energy: -47.481 flat angles P-C4'-P energy: -22.487 tors. eta vs tors. theta energy: 8.014 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: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1342.113568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.113568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.113568 (E_RNA) where: Base-Base interactions energy: -929.497 where: short stacking energy: -397.657 Base-Backbone interact. energy: -3.177 local terms energy: -409.438896 where: bonds (distance) C4'-P energy: -66.603 bonds (distance) P-C4' energy: -77.211 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -62.931 tors. eta vs tors. theta energy: -112.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1263.823058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.823058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.823058 (E_RNA) where: Base-Base interactions energy: -853.302 where: short stacking energy: -369.969 Base-Backbone interact. energy: 0.481 local terms energy: -411.001937 where: bonds (distance) C4'-P energy: -75.224 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -83.743 flat angles P-C4'-P energy: -66.440 tors. eta vs tors. theta energy: -101.580 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: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1190.008444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.008444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.008444 (E_RNA) where: Base-Base interactions energy: -793.390 where: short stacking energy: -358.872 Base-Backbone interact. energy: -1.440 local terms energy: -395.178489 where: bonds (distance) C4'-P energy: -67.352 bonds (distance) P-C4' energy: -79.241 flat angles C4'-P-C4' energy: -81.767 flat angles P-C4'-P energy: -51.746 tors. eta vs tors. theta energy: -115.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1161.549881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.549881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.549881 (E_RNA) where: Base-Base interactions energy: -777.243 where: short stacking energy: -337.417 Base-Backbone interact. energy: -1.784 local terms energy: -382.523675 where: bonds (distance) C4'-P energy: -73.944 bonds (distance) P-C4' energy: -63.788 flat angles C4'-P-C4' energy: -84.725 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -108.374 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: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1034.423298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.423298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.423298 (E_RNA) where: Base-Base interactions energy: -695.950 where: short stacking energy: -296.275 Base-Backbone interact. energy: -2.624 local terms energy: -335.849691 where: bonds (distance) C4'-P energy: -63.688 bonds (distance) P-C4' energy: -70.319 flat angles C4'-P-C4' energy: -71.045 flat angles P-C4'-P energy: -47.235 tors. eta vs tors. theta energy: -83.562 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: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -798.811773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.811773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.811773 (E_RNA) where: Base-Base interactions energy: -492.549 where: short stacking energy: -215.541 Base-Backbone interact. energy: -1.226 local terms energy: -305.036511 where: bonds (distance) C4'-P energy: -78.030 bonds (distance) P-C4' energy: -68.904 flat angles C4'-P-C4' energy: -67.949 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -41.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -599.938785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.938785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.938785 (E_RNA) where: Base-Base interactions energy: -318.959 where: short stacking energy: -165.111 Base-Backbone interact. energy: 1.415 local terms energy: -282.395479 where: bonds (distance) C4'-P energy: -70.116 bonds (distance) P-C4' energy: -73.505 flat angles C4'-P-C4' energy: -67.324 flat angles P-C4'-P energy: -39.405 tors. eta vs tors. theta energy: -32.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -360.536943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.536943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.536943 (E_RNA) where: Base-Base interactions energy: -119.762 where: short stacking energy: -98.698 Base-Backbone interact. energy: 3.449 local terms energy: -244.223637 where: bonds (distance) C4'-P energy: -68.155 bonds (distance) P-C4' energy: -73.155 flat angles C4'-P-C4' energy: -72.253 flat angles P-C4'-P energy: -33.501 tors. eta vs tors. theta energy: 2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -364.443044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.443044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.443044 (E_RNA) where: Base-Base interactions energy: -154.922 where: short stacking energy: -110.791 Base-Backbone interact. energy: 0.631 local terms energy: -210.152446 where: bonds (distance) C4'-P energy: -72.154 bonds (distance) P-C4' energy: -69.334 flat angles C4'-P-C4' energy: -42.798 flat angles P-C4'-P energy: -31.349 tors. eta vs tors. theta energy: 5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -325.506221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.506221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.506221 (E_RNA) where: Base-Base interactions energy: -129.601 where: short stacking energy: -115.312 Base-Backbone interact. energy: 0.655 local terms energy: -196.560190 where: bonds (distance) C4'-P energy: -66.875 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -44.735 flat angles P-C4'-P energy: -27.213 tors. eta vs tors. theta energy: 7.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1333.263169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.263169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.263169 (E_RNA) where: Base-Base interactions energy: -909.135 where: short stacking energy: -399.207 Base-Backbone interact. energy: 1.506 local terms energy: -425.633418 where: bonds (distance) C4'-P energy: -87.764 bonds (distance) P-C4' energy: -79.742 flat angles C4'-P-C4' energy: -85.718 flat angles P-C4'-P energy: -53.077 tors. eta vs tors. theta energy: -119.333 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: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1255.355556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.355556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.355556 (E_RNA) where: Base-Base interactions energy: -845.754 where: short stacking energy: -358.462 Base-Backbone interact. energy: -1.976 local terms energy: -407.626182 where: bonds (distance) C4'-P energy: -74.427 bonds (distance) P-C4' energy: -82.492 flat angles C4'-P-C4' energy: -84.575 flat angles P-C4'-P energy: -62.294 tors. eta vs tors. theta energy: -103.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1190.040129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.040129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.040129 (E_RNA) where: Base-Base interactions energy: -801.979 where: short stacking energy: -347.770 Base-Backbone interact. energy: 1.154 local terms energy: -389.214251 where: bonds (distance) C4'-P energy: -75.114 bonds (distance) P-C4' energy: -67.511 flat angles C4'-P-C4' energy: -83.466 flat angles P-C4'-P energy: -55.505 tors. eta vs tors. theta energy: -107.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1151.207374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.207374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.207374 (E_RNA) where: Base-Base interactions energy: -756.448 where: short stacking energy: -340.327 Base-Backbone interact. energy: 0.681 local terms energy: -395.440177 where: bonds (distance) C4'-P energy: -71.777 bonds (distance) P-C4' energy: -77.920 flat angles C4'-P-C4' energy: -76.335 flat angles P-C4'-P energy: -52.730 tors. eta vs tors. theta energy: -116.677 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: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1053.543400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.543400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.543400 (E_RNA) where: Base-Base interactions energy: -713.783 where: short stacking energy: -285.916 Base-Backbone interact. energy: -4.246 local terms energy: -335.514830 where: bonds (distance) C4'-P energy: -66.167 bonds (distance) P-C4' energy: -79.593 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -51.229 tors. eta vs tors. theta energy: -69.265 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: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -822.097043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.097043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.097043 (E_RNA) where: Base-Base interactions energy: -510.429 where: short stacking energy: -227.963 Base-Backbone interact. energy: -2.892 local terms energy: -308.776241 where: bonds (distance) C4'-P energy: -73.824 bonds (distance) P-C4' energy: -67.651 flat angles C4'-P-C4' energy: -69.289 flat angles P-C4'-P energy: -43.886 tors. eta vs tors. theta energy: -54.127 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: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -622.804404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.804404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.804404 (E_RNA) where: Base-Base interactions energy: -355.294 where: short stacking energy: -208.286 Base-Backbone interact. energy: -0.309 local terms energy: -267.201160 where: bonds (distance) C4'-P energy: -66.743 bonds (distance) P-C4' energy: -69.814 flat angles C4'-P-C4' energy: -59.482 flat angles P-C4'-P energy: -28.841 tors. eta vs tors. theta energy: -42.321 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: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -369.224084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.224084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.224084 (E_RNA) where: Base-Base interactions energy: -149.398 where: short stacking energy: -109.739 Base-Backbone interact. energy: 0.101 local terms energy: -219.927101 where: bonds (distance) C4'-P energy: -76.634 bonds (distance) P-C4' energy: -67.536 flat angles C4'-P-C4' energy: -58.038 flat angles P-C4'-P energy: -27.007 tors. eta vs tors. theta energy: 9.288 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: 334 Temperature: 1.300000 Total energy: -323.099271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.099271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.099271 (E_RNA) where: Base-Base interactions energy: -102.767 where: short stacking energy: -98.547 Base-Backbone interact. energy: 0.078 local terms energy: -220.410065 where: bonds (distance) C4'-P energy: -69.663 bonds (distance) P-C4' energy: -70.410 flat angles C4'-P-C4' energy: -48.834 flat angles P-C4'-P energy: -39.109 tors. eta vs tors. theta energy: 7.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -308.679156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.679156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.679156 (E_RNA) where: Base-Base interactions energy: -101.446 where: short stacking energy: -88.308 Base-Backbone interact. energy: -0.837 local terms energy: -206.395627 where: bonds (distance) C4'-P energy: -66.617 bonds (distance) P-C4' energy: -62.047 flat angles C4'-P-C4' energy: -43.156 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: 8.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1354.717378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.717378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.717378 (E_RNA) where: Base-Base interactions energy: -926.494 where: short stacking energy: -396.207 Base-Backbone interact. energy: -2.264 local terms energy: -425.959286 where: bonds (distance) C4'-P energy: -80.960 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -86.960 flat angles P-C4'-P energy: -62.346 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: 2, replica: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1263.511875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.511875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.511875 (E_RNA) where: Base-Base interactions energy: -851.937 where: short stacking energy: -376.285 Base-Backbone interact. energy: -0.052 local terms energy: -411.523086 where: bonds (distance) C4'-P energy: -73.759 bonds (distance) P-C4' energy: -73.047 flat angles C4'-P-C4' energy: -90.872 flat angles P-C4'-P energy: -66.469 tors. eta vs tors. theta energy: -107.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1200.631815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.631815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.631815 (E_RNA) where: Base-Base interactions energy: -799.542 where: short stacking energy: -330.121 Base-Backbone interact. energy: -2.684 local terms energy: -398.406004 where: bonds (distance) C4'-P energy: -71.806 bonds (distance) P-C4' energy: -76.981 flat angles C4'-P-C4' energy: -93.883 flat angles P-C4'-P energy: -50.674 tors. eta vs tors. theta energy: -105.063 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: 4, replica: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1101.782082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.782082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.782082 (E_RNA) where: Base-Base interactions energy: -732.035 where: short stacking energy: -297.633 Base-Backbone interact. energy: -3.340 local terms energy: -366.406761 where: bonds (distance) C4'-P energy: -64.236 bonds (distance) P-C4' energy: -80.553 flat angles C4'-P-C4' energy: -86.574 flat angles P-C4'-P energy: -51.699 tors. eta vs tors. theta energy: -83.345 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: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1057.080415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.080415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.080415 (E_RNA) where: Base-Base interactions energy: -694.478 where: short stacking energy: -282.444 Base-Backbone interact. energy: -0.984 local terms energy: -361.618736 where: bonds (distance) C4'-P energy: -70.197 bonds (distance) P-C4' energy: -77.396 flat angles C4'-P-C4' energy: -78.512 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: -82.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -890.335206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.335206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.335206 (E_RNA) where: Base-Base interactions energy: -565.982 where: short stacking energy: -249.400 Base-Backbone interact. energy: -0.317 local terms energy: -324.036174 where: bonds (distance) C4'-P energy: -76.953 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -79.263 flat angles P-C4'-P energy: -37.984 tors. eta vs tors. theta energy: -57.738 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: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -590.174855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.174855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.174855 (E_RNA) where: Base-Base interactions energy: -306.885 where: short stacking energy: -160.201 Base-Backbone interact. energy: 4.018 local terms energy: -287.308092 where: bonds (distance) C4'-P energy: -67.728 bonds (distance) P-C4' energy: -68.376 flat angles C4'-P-C4' energy: -69.958 flat angles P-C4'-P energy: -48.678 tors. eta vs tors. theta energy: -32.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -354.616179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.616179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.616179 (E_RNA) where: Base-Base interactions energy: -132.927 where: short stacking energy: -105.672 Base-Backbone interact. energy: 4.788 local terms energy: -226.476548 where: bonds (distance) C4'-P energy: -62.149 bonds (distance) P-C4' energy: -61.532 flat angles C4'-P-C4' energy: -70.161 flat angles P-C4'-P energy: -36.412 tors. eta vs tors. theta energy: 3.777 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: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -355.788684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.788684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.788684 (E_RNA) where: Base-Base interactions energy: -109.673 where: short stacking energy: -85.666 Base-Backbone interact. energy: -2.722 local terms energy: -243.393276 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -80.583 flat angles C4'-P-C4' energy: -55.606 flat angles P-C4'-P energy: -52.638 tors. eta vs tors. theta energy: 10.197 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: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -314.000896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.000896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.000896 (E_RNA) where: Base-Base interactions energy: -117.667 where: short stacking energy: -85.441 Base-Backbone interact. energy: 0.203 local terms energy: -196.537335 where: bonds (distance) C4'-P energy: -59.084 bonds (distance) P-C4' energy: -71.130 flat angles C4'-P-C4' energy: -52.740 flat angles P-C4'-P energy: -33.678 tors. eta vs tors. theta energy: 20.095 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: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1346.875632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.875632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.875632 (E_RNA) where: Base-Base interactions energy: -922.630 where: short stacking energy: -386.598 Base-Backbone interact. energy: -4.897 local terms energy: -419.349038 where: bonds (distance) C4'-P energy: -73.511 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -87.569 flat angles P-C4'-P energy: -59.824 tors. eta vs tors. theta energy: -125.785 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: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1253.885027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.885027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.885027 (E_RNA) where: Base-Base interactions energy: -845.534 where: short stacking energy: -368.199 Base-Backbone interact. energy: -0.334 local terms energy: -408.016945 where: bonds (distance) C4'-P energy: -78.824 bonds (distance) P-C4' energy: -78.957 flat angles C4'-P-C4' energy: -87.661 flat angles P-C4'-P energy: -58.351 tors. eta vs tors. theta energy: -104.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1206.485177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.485177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.485177 (E_RNA) where: Base-Base interactions energy: -802.055 where: short stacking energy: -373.673 Base-Backbone interact. energy: -3.197 local terms energy: -401.233268 where: bonds (distance) C4'-P energy: -68.680 bonds (distance) P-C4' energy: -69.410 flat angles C4'-P-C4' energy: -90.415 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -118.322 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: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1095.226308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.226308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.226308 (E_RNA) where: Base-Base interactions energy: -743.280 where: short stacking energy: -323.422 Base-Backbone interact. energy: -4.077 local terms energy: -347.869209 where: bonds (distance) C4'-P energy: -54.292 bonds (distance) P-C4' energy: -75.634 flat angles C4'-P-C4' energy: -77.699 flat angles P-C4'-P energy: -49.193 tors. eta vs tors. theta energy: -91.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1051.006790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.006790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.006790 (E_RNA) where: Base-Base interactions energy: -697.420 where: short stacking energy: -291.473 Base-Backbone interact. energy: -0.007 local terms energy: -353.580248 where: bonds (distance) C4'-P energy: -68.736 bonds (distance) P-C4' energy: -77.120 flat angles C4'-P-C4' energy: -70.042 flat angles P-C4'-P energy: -55.301 tors. eta vs tors. theta energy: -82.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -948.243011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.243011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.243011 (E_RNA) where: Base-Base interactions energy: -607.204 where: short stacking energy: -278.863 Base-Backbone interact. energy: -1.411 local terms energy: -339.627661 where: bonds (distance) C4'-P energy: -70.603 bonds (distance) P-C4' energy: -67.587 flat angles C4'-P-C4' energy: -74.735 flat angles P-C4'-P energy: -49.569 tors. eta vs tors. theta energy: -77.134 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: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -601.025264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.025264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.025264 (E_RNA) where: Base-Base interactions energy: -340.676 where: short stacking energy: -156.256 Base-Backbone interact. energy: 5.711 local terms energy: -266.059359 where: bonds (distance) C4'-P energy: -58.782 bonds (distance) P-C4' energy: -67.282 flat angles C4'-P-C4' energy: -67.005 flat angles P-C4'-P energy: -45.748 tors. eta vs tors. theta energy: -27.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -408.742930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.742930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.742930 (E_RNA) where: Base-Base interactions energy: -174.381 where: short stacking energy: -127.994 Base-Backbone interact. energy: -1.207 local terms energy: -233.155221 where: bonds (distance) C4'-P energy: -70.612 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -58.772 flat angles P-C4'-P energy: -28.797 tors. eta vs tors. theta energy: -14.363 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: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -334.051066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.051066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.051066 (E_RNA) where: Base-Base interactions energy: -111.033 where: short stacking energy: -98.056 Base-Backbone interact. energy: 0.129 local terms energy: -223.146884 where: bonds (distance) C4'-P energy: -67.015 bonds (distance) P-C4' energy: -70.484 flat angles C4'-P-C4' energy: -50.156 flat angles P-C4'-P energy: -35.878 tors. eta vs tors. theta energy: 0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -326.860896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.860896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.860896 (E_RNA) where: Base-Base interactions energy: -109.992 where: short stacking energy: -104.062 Base-Backbone interact. energy: -0.038 local terms energy: -216.831313 where: bonds (distance) C4'-P energy: -59.025 bonds (distance) P-C4' energy: -76.593 flat angles C4'-P-C4' energy: -56.710 flat angles P-C4'-P energy: -34.006 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: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1346.838174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.838174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.838174 (E_RNA) where: Base-Base interactions energy: -915.984 where: short stacking energy: -381.456 Base-Backbone interact. energy: -2.593 local terms energy: -428.261434 where: bonds (distance) C4'-P energy: -76.468 bonds (distance) P-C4' energy: -85.071 flat angles C4'-P-C4' energy: -82.242 flat angles P-C4'-P energy: -60.191 tors. eta vs tors. theta energy: -124.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1239.328248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.328248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.328248 (E_RNA) where: Base-Base interactions energy: -835.732 where: short stacking energy: -369.279 Base-Backbone interact. energy: -2.922 local terms energy: -400.674684 where: bonds (distance) C4'-P energy: -69.550 bonds (distance) P-C4' energy: -77.539 flat angles C4'-P-C4' energy: -92.396 flat angles P-C4'-P energy: -53.455 tors. eta vs tors. theta energy: -107.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1218.994958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.994958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.994958 (E_RNA) where: Base-Base interactions energy: -838.867 where: short stacking energy: -368.565 Base-Backbone interact. energy: -2.406 local terms energy: -377.722436 where: bonds (distance) C4'-P energy: -70.019 bonds (distance) P-C4' energy: -75.149 flat angles C4'-P-C4' energy: -76.789 flat angles P-C4'-P energy: -42.783 tors. eta vs tors. theta energy: -112.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1069.171685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.171685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.171685 (E_RNA) where: Base-Base interactions energy: -708.354 where: short stacking energy: -297.190 Base-Backbone interact. energy: 1.075 local terms energy: -361.892918 where: bonds (distance) C4'-P energy: -83.054 bonds (distance) P-C4' energy: -73.335 flat angles C4'-P-C4' energy: -74.140 flat angles P-C4'-P energy: -44.139 tors. eta vs tors. theta energy: -87.225 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: 10 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1052.474215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.474215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.474215 (E_RNA) where: Base-Base interactions energy: -721.955 where: short stacking energy: -303.606 Base-Backbone interact. energy: -0.768 local terms energy: -329.751350 where: bonds (distance) C4'-P energy: -68.579 bonds (distance) P-C4' energy: -72.355 flat angles C4'-P-C4' energy: -74.022 flat angles P-C4'-P energy: -37.842 tors. eta vs tors. theta energy: -76.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -928.736278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.736278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.736278 (E_RNA) where: Base-Base interactions energy: -590.376 where: short stacking energy: -249.523 Base-Backbone interact. energy: 0.921 local terms energy: -339.281020 where: bonds (distance) C4'-P energy: -61.925 bonds (distance) P-C4' energy: -81.164 flat angles C4'-P-C4' energy: -67.078 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -75.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -611.170209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.170209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.170209 (E_RNA) where: Base-Base interactions energy: -324.264 where: short stacking energy: -172.461 Base-Backbone interact. energy: 0.864 local terms energy: -287.769796 where: bonds (distance) C4'-P energy: -67.731 bonds (distance) P-C4' energy: -80.758 flat angles C4'-P-C4' energy: -74.782 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -19.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -354.748972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.748972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.748972 (E_RNA) where: Base-Base interactions energy: -117.165 where: short stacking energy: -109.927 Base-Backbone interact. energy: -0.971 local terms energy: -236.613339 where: bonds (distance) C4'-P energy: -58.977 bonds (distance) P-C4' energy: -71.628 flat angles C4'-P-C4' energy: -58.766 flat angles P-C4'-P energy: -43.645 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -335.695331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.695331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.695331 (E_RNA) where: Base-Base interactions energy: -111.581 where: short stacking energy: -107.769 Base-Backbone interact. energy: 1.554 local terms energy: -225.668369 where: bonds (distance) C4'-P energy: -65.375 bonds (distance) P-C4' energy: -63.780 flat angles C4'-P-C4' energy: -57.300 flat angles P-C4'-P energy: -49.564 tors. eta vs tors. theta energy: 10.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -323.766949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.766949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.766949 (E_RNA) where: Base-Base interactions energy: -119.607 where: short stacking energy: -98.407 Base-Backbone interact. energy: 3.142 local terms energy: -207.302071 where: bonds (distance) C4'-P energy: -65.219 bonds (distance) P-C4' energy: -66.591 flat angles C4'-P-C4' energy: -48.968 flat angles P-C4'-P energy: -33.180 tors. eta vs tors. theta energy: 6.655 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: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1338.636415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.636415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.636415 (E_RNA) where: Base-Base interactions energy: -923.393 where: short stacking energy: -397.456 Base-Backbone interact. energy: -0.013 local terms energy: -415.230741 where: bonds (distance) C4'-P energy: -78.991 bonds (distance) P-C4' energy: -77.627 flat angles C4'-P-C4' energy: -76.316 flat angles P-C4'-P energy: -62.281 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: 2, replica: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1256.632801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.632801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.632801 (E_RNA) where: Base-Base interactions energy: -848.262 where: short stacking energy: -367.809 Base-Backbone interact. energy: -1.939 local terms energy: -406.431496 where: bonds (distance) C4'-P energy: -79.004 bonds (distance) P-C4' energy: -76.399 flat angles C4'-P-C4' energy: -91.626 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -106.604 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: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1228.708583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.708583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.708583 (E_RNA) where: Base-Base interactions energy: -811.715 where: short stacking energy: -362.671 Base-Backbone interact. energy: 0.851 local terms energy: -417.844245 where: bonds (distance) C4'-P energy: -77.653 bonds (distance) P-C4' energy: -77.632 flat angles C4'-P-C4' energy: -94.431 flat angles P-C4'-P energy: -55.262 tors. eta vs tors. theta energy: -112.865 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: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1113.466356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.466356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.466356 (E_RNA) where: Base-Base interactions energy: -770.917 where: short stacking energy: -320.753 Base-Backbone interact. energy: -0.847 local terms energy: -341.702362 where: bonds (distance) C4'-P energy: -64.605 bonds (distance) P-C4' energy: -73.831 flat angles C4'-P-C4' energy: -63.067 flat angles P-C4'-P energy: -49.559 tors. eta vs tors. theta energy: -90.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1059.610123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.610123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.610123 (E_RNA) where: Base-Base interactions energy: -714.874 where: short stacking energy: -315.705 Base-Backbone interact. energy: -1.868 local terms energy: -342.867635 where: bonds (distance) C4'-P energy: -57.824 bonds (distance) P-C4' energy: -68.838 flat angles C4'-P-C4' energy: -77.819 flat angles P-C4'-P energy: -45.838 tors. eta vs tors. theta energy: -92.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -969.445134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.445134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.445134 (E_RNA) where: Base-Base interactions energy: -641.398 where: short stacking energy: -294.551 Base-Backbone interact. energy: 4.462 local terms energy: -332.508819 where: bonds (distance) C4'-P energy: -67.211 bonds (distance) P-C4' energy: -63.992 flat angles C4'-P-C4' energy: -73.865 flat angles P-C4'-P energy: -48.032 tors. eta vs tors. theta energy: -79.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -582.907653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.907653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.907653 (E_RNA) where: Base-Base interactions energy: -339.867 where: short stacking energy: -158.752 Base-Backbone interact. energy: -1.980 local terms energy: -241.060544 where: bonds (distance) C4'-P energy: -56.481 bonds (distance) P-C4' energy: -69.149 flat angles C4'-P-C4' energy: -66.037 flat angles P-C4'-P energy: -35.335 tors. eta vs tors. theta energy: -14.058 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: 8, replica: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -373.482046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.482046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.482046 (E_RNA) where: Base-Base interactions energy: -137.918 where: short stacking energy: -111.314 Base-Backbone interact. energy: 1.923 local terms energy: -237.487041 where: bonds (distance) C4'-P energy: -66.447 bonds (distance) P-C4' energy: -62.993 flat angles C4'-P-C4' energy: -60.688 flat angles P-C4'-P energy: -51.176 tors. eta vs tors. theta energy: 3.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -337.141858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.141858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.141858 (E_RNA) where: Base-Base interactions energy: -116.185 where: short stacking energy: -86.115 Base-Backbone interact. energy: 1.406 local terms energy: -222.362126 where: bonds (distance) C4'-P energy: -72.644 bonds (distance) P-C4' energy: -63.082 flat angles C4'-P-C4' energy: -69.952 flat angles P-C4'-P energy: -30.698 tors. eta vs tors. theta energy: 14.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -323.016530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.016530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.016530 (E_RNA) where: Base-Base interactions energy: -101.006 where: short stacking energy: -76.183 Base-Backbone interact. energy: -0.211 local terms energy: -221.799843 where: bonds (distance) C4'-P energy: -65.716 bonds (distance) P-C4' energy: -83.356 flat angles C4'-P-C4' energy: -55.565 flat angles P-C4'-P energy: -22.639 tors. eta vs tors. theta energy: 5.476 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: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1365.671037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.671037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.671037 (E_RNA) where: Base-Base interactions energy: -936.244 where: short stacking energy: -383.429 Base-Backbone interact. energy: -3.795 local terms energy: -425.631592 where: bonds (distance) C4'-P energy: -81.949 bonds (distance) P-C4' energy: -79.696 flat angles C4'-P-C4' energy: -87.263 flat angles P-C4'-P energy: -59.267 tors. eta vs tors. theta energy: -117.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1254.015370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.015370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.015370 (E_RNA) where: Base-Base interactions energy: -825.049 where: short stacking energy: -361.136 Base-Backbone interact. energy: -2.329 local terms energy: -426.636426 where: bonds (distance) C4'-P energy: -82.411 bonds (distance) P-C4' energy: -82.485 flat angles C4'-P-C4' energy: -90.256 flat angles P-C4'-P energy: -62.681 tors. eta vs tors. theta energy: -108.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1190.211988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.211988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.211988 (E_RNA) where: Base-Base interactions energy: -779.591 where: short stacking energy: -343.348 Base-Backbone interact. energy: -0.885 local terms energy: -409.736061 where: bonds (distance) C4'-P energy: -76.589 bonds (distance) P-C4' energy: -86.707 flat angles C4'-P-C4' energy: -83.468 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -114.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1109.271381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.271381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.271381 (E_RNA) where: Base-Base interactions energy: -742.691 where: short stacking energy: -315.577 Base-Backbone interact. energy: 0.926 local terms energy: -367.505992 where: bonds (distance) C4'-P energy: -80.575 bonds (distance) P-C4' energy: -55.941 flat angles C4'-P-C4' energy: -89.421 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -93.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1041.387814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.387814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.387814 (E_RNA) where: Base-Base interactions energy: -685.024 where: short stacking energy: -298.743 Base-Backbone interact. energy: 0.155 local terms energy: -356.518056 where: bonds (distance) C4'-P energy: -80.822 bonds (distance) P-C4' energy: -67.430 flat angles C4'-P-C4' energy: -68.047 flat angles P-C4'-P energy: -45.608 tors. eta vs tors. theta energy: -94.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -917.801002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.801002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.801002 (E_RNA) where: Base-Base interactions energy: -604.150 where: short stacking energy: -269.089 Base-Backbone interact. energy: -0.947 local terms energy: -312.704094 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -51.380 flat angles C4'-P-C4' energy: -80.922 flat angles P-C4'-P energy: -49.411 tors. eta vs tors. theta energy: -72.171 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: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -615.634327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.634327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.634327 (E_RNA) where: Base-Base interactions energy: -342.882 where: short stacking energy: -162.350 Base-Backbone interact. energy: 1.504 local terms energy: -274.256165 where: bonds (distance) C4'-P energy: -79.086 bonds (distance) P-C4' energy: -73.453 flat angles C4'-P-C4' energy: -72.322 flat angles P-C4'-P energy: -37.433 tors. eta vs tors. theta energy: -11.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -400.395820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.395820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.395820 (E_RNA) where: Base-Base interactions energy: -165.562 where: short stacking energy: -91.390 Base-Backbone interact. energy: 1.528 local terms energy: -236.362324 where: bonds (distance) C4'-P energy: -64.113 bonds (distance) P-C4' energy: -68.626 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -41.115 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -373.672646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.672646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.672646 (E_RNA) where: Base-Base interactions energy: -164.460 where: short stacking energy: -125.092 Base-Backbone interact. energy: 0.575 local terms energy: -209.787638 where: bonds (distance) C4'-P energy: -70.104 bonds (distance) P-C4' energy: -68.333 flat angles C4'-P-C4' energy: -45.924 flat angles P-C4'-P energy: -25.862 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -303.143852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.143852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.143852 (E_RNA) where: Base-Base interactions energy: -96.449 where: short stacking energy: -64.126 Base-Backbone interact. energy: 0.231 local terms energy: -206.925667 where: bonds (distance) C4'-P energy: -63.449 bonds (distance) P-C4' energy: -72.507 flat angles C4'-P-C4' energy: -50.821 flat angles P-C4'-P energy: -27.488 tors. eta vs tors. theta energy: 7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1378.918698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.918698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.918698 (E_RNA) where: Base-Base interactions energy: -951.036 where: short stacking energy: -399.012 Base-Backbone interact. energy: -2.526 local terms energy: -425.356186 where: bonds (distance) C4'-P energy: -82.158 bonds (distance) P-C4' energy: -73.177 flat angles C4'-P-C4' energy: -95.087 flat angles P-C4'-P energy: -59.196 tors. eta vs tors. theta energy: -115.738 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: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1247.735120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.735120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.735120 (E_RNA) where: Base-Base interactions energy: -835.616 where: short stacking energy: -385.327 Base-Backbone interact. energy: -1.345 local terms energy: -410.773714 where: bonds (distance) C4'-P energy: -79.074 bonds (distance) P-C4' energy: -65.239 flat angles C4'-P-C4' energy: -94.818 flat angles P-C4'-P energy: -49.924 tors. eta vs tors. theta energy: -121.719 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: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1184.705556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.705556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.705556 (E_RNA) where: Base-Base interactions energy: -786.727 where: short stacking energy: -342.388 Base-Backbone interact. energy: -0.224 local terms energy: -397.754187 where: bonds (distance) C4'-P energy: -80.535 bonds (distance) P-C4' energy: -66.292 flat angles C4'-P-C4' energy: -83.928 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -110.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1098.812850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.812850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.812850 (E_RNA) where: Base-Base interactions energy: -742.514 where: short stacking energy: -312.225 Base-Backbone interact. energy: -0.556 local terms energy: -355.742923 where: bonds (distance) C4'-P energy: -66.808 bonds (distance) P-C4' energy: -69.510 flat angles C4'-P-C4' energy: -82.202 flat angles P-C4'-P energy: -48.310 tors. eta vs tors. theta energy: -88.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1009.578821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.578821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.578821 (E_RNA) where: Base-Base interactions energy: -669.381 where: short stacking energy: -297.250 Base-Backbone interact. energy: -1.022 local terms energy: -339.176086 where: bonds (distance) C4'-P energy: -62.243 bonds (distance) P-C4' energy: -71.793 flat angles C4'-P-C4' energy: -68.461 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -84.262 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: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -919.120725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.120725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.120725 (E_RNA) where: Base-Base interactions energy: -619.958 where: short stacking energy: -263.429 Base-Backbone interact. energy: -1.500 local terms energy: -297.662999 where: bonds (distance) C4'-P energy: -60.552 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -71.818 flat angles P-C4'-P energy: -44.148 tors. eta vs tors. theta energy: -55.544 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: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -635.724308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.724308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.724308 (E_RNA) where: Base-Base interactions energy: -368.275 where: short stacking energy: -164.779 Base-Backbone interact. energy: 6.608 local terms energy: -274.056838 where: bonds (distance) C4'-P energy: -75.967 bonds (distance) P-C4' energy: -75.463 flat angles C4'-P-C4' energy: -65.826 flat angles P-C4'-P energy: -38.985 tors. eta vs tors. theta energy: -17.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -375.195610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.195610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.195610 (E_RNA) where: Base-Base interactions energy: -144.972 where: short stacking energy: -85.096 Base-Backbone interact. energy: -1.970 local terms energy: -228.253506 where: bonds (distance) C4'-P energy: -58.569 bonds (distance) P-C4' energy: -77.277 flat angles C4'-P-C4' energy: -62.194 flat angles P-C4'-P energy: -35.923 tors. eta vs tors. theta energy: 5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -347.724573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.724573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.724573 (E_RNA) where: Base-Base interactions energy: -122.137 where: short stacking energy: -81.977 Base-Backbone interact. energy: -2.258 local terms energy: -223.329655 where: bonds (distance) C4'-P energy: -79.245 bonds (distance) P-C4' energy: -59.276 flat angles C4'-P-C4' energy: -58.847 flat angles P-C4'-P energy: -35.166 tors. eta vs tors. theta energy: 9.204 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: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -311.162175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.162175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.162175 (E_RNA) where: Base-Base interactions energy: -107.598 where: short stacking energy: -67.994 Base-Backbone interact. energy: 6.169 local terms energy: -209.732327 where: bonds (distance) C4'-P energy: -43.045 bonds (distance) P-C4' energy: -67.023 flat angles C4'-P-C4' energy: -68.779 flat angles P-C4'-P energy: -45.962 tors. eta vs tors. theta energy: 15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1383.298672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.298672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.298672 (E_RNA) where: Base-Base interactions energy: -942.967 where: short stacking energy: -397.319 Base-Backbone interact. energy: -3.430 local terms energy: -436.901743 where: bonds (distance) C4'-P energy: -76.779 bonds (distance) P-C4' energy: -82.808 flat angles C4'-P-C4' energy: -91.648 flat angles P-C4'-P energy: -63.182 tors. eta vs tors. theta energy: -122.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1255.623906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.623906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.623906 (E_RNA) where: Base-Base interactions energy: -836.990 where: short stacking energy: -368.413 Base-Backbone interact. energy: -1.202 local terms energy: -417.431826 where: bonds (distance) C4'-P energy: -79.878 bonds (distance) P-C4' energy: -78.434 flat angles C4'-P-C4' energy: -82.935 flat angles P-C4'-P energy: -61.815 tors. eta vs tors. theta energy: -114.370 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: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1197.599955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.599955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.599955 (E_RNA) where: Base-Base interactions energy: -794.761 where: short stacking energy: -367.527 Base-Backbone interact. energy: -1.108 local terms energy: -401.730340 where: bonds (distance) C4'-P energy: -74.580 bonds (distance) P-C4' energy: -67.846 flat angles C4'-P-C4' energy: -90.349 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -113.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1114.999616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.999616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.999616 (E_RNA) where: Base-Base interactions energy: -757.971 where: short stacking energy: -322.656 Base-Backbone interact. energy: 0.897 local terms energy: -357.925587 where: bonds (distance) C4'-P energy: -79.728 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -82.572 flat angles P-C4'-P energy: -48.308 tors. eta vs tors. theta energy: -79.902 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: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1019.867872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.867872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.867872 (E_RNA) where: Base-Base interactions energy: -684.950 where: short stacking energy: -279.534 Base-Backbone interact. energy: -1.854 local terms energy: -333.064504 where: bonds (distance) C4'-P energy: -56.697 bonds (distance) P-C4' energy: -74.387 flat angles C4'-P-C4' energy: -77.355 flat angles P-C4'-P energy: -47.960 tors. eta vs tors. theta energy: -76.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -892.181163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.181163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.181163 (E_RNA) where: Base-Base interactions energy: -552.392 where: short stacking energy: -252.059 Base-Backbone interact. energy: -0.092 local terms energy: -339.697682 where: bonds (distance) C4'-P energy: -63.527 bonds (distance) P-C4' energy: -70.194 flat angles C4'-P-C4' energy: -78.669 flat angles P-C4'-P energy: -55.645 tors. eta vs tors. theta energy: -71.662 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: 9 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -601.151401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.151401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.151401 (E_RNA) where: Base-Base interactions energy: -354.758 where: short stacking energy: -154.964 Base-Backbone interact. energy: -0.526 local terms energy: -245.867283 where: bonds (distance) C4'-P energy: -68.276 bonds (distance) P-C4' energy: -70.697 flat angles C4'-P-C4' energy: -57.620 flat angles P-C4'-P energy: -38.628 tors. eta vs tors. theta energy: -10.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -354.586336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.586336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.586336 (E_RNA) where: Base-Base interactions energy: -127.971 where: short stacking energy: -112.416 Base-Backbone interact. energy: -2.065 local terms energy: -224.550362 where: bonds (distance) C4'-P energy: -69.815 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -47.927 flat angles P-C4'-P energy: -46.878 tors. eta vs tors. theta energy: 10.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -351.603607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.603607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.603607 (E_RNA) where: Base-Base interactions energy: -110.213 where: short stacking energy: -100.388 Base-Backbone interact. energy: -0.989 local terms energy: -240.401570 where: bonds (distance) C4'-P energy: -56.410 bonds (distance) P-C4' energy: -72.732 flat angles C4'-P-C4' energy: -65.375 flat angles P-C4'-P energy: -43.973 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -307.779222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.779222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.779222 (E_RNA) where: Base-Base interactions energy: -105.236 where: short stacking energy: -89.210 Base-Backbone interact. energy: 3.059 local terms energy: -205.602228 where: bonds (distance) C4'-P energy: -54.044 bonds (distance) P-C4' energy: -93.407 flat angles C4'-P-C4' energy: -45.916 flat angles P-C4'-P energy: -31.881 tors. eta vs tors. theta energy: 19.646 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: 342 Temperature: 0.900000 Total energy: -1324.233070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.233070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.233070 (E_RNA) where: Base-Base interactions energy: -910.689 where: short stacking energy: -385.974 Base-Backbone interact. energy: -1.740 local terms energy: -411.803301 where: bonds (distance) C4'-P energy: -70.906 bonds (distance) P-C4' energy: -83.145 flat angles C4'-P-C4' energy: -85.610 flat angles P-C4'-P energy: -54.916 tors. eta vs tors. theta energy: -117.226 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: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1285.808620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.808620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.808620 (E_RNA) where: Base-Base interactions energy: -868.648 where: short stacking energy: -384.187 Base-Backbone interact. energy: 1.398 local terms energy: -418.558006 where: bonds (distance) C4'-P energy: -66.548 bonds (distance) P-C4' energy: -80.265 flat angles C4'-P-C4' energy: -89.961 flat angles P-C4'-P energy: -64.303 tors. eta vs tors. theta energy: -117.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1206.469475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.469475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.469475 (E_RNA) where: Base-Base interactions energy: -794.184 where: short stacking energy: -365.672 Base-Backbone interact. energy: -2.216 local terms energy: -410.068561 where: bonds (distance) C4'-P energy: -79.230 bonds (distance) P-C4' energy: -72.833 flat angles C4'-P-C4' energy: -83.432 flat angles P-C4'-P energy: -62.912 tors. eta vs tors. theta energy: -111.661 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: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1100.083894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.083894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.083894 (E_RNA) where: Base-Base interactions energy: -733.634 where: short stacking energy: -291.402 Base-Backbone interact. energy: 4.050 local terms energy: -370.499966 where: bonds (distance) C4'-P energy: -79.031 bonds (distance) P-C4' energy: -82.730 flat angles C4'-P-C4' energy: -72.686 flat angles P-C4'-P energy: -63.463 tors. eta vs tors. theta energy: -72.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1022.927962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.927962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.927962 (E_RNA) where: Base-Base interactions energy: -658.738 where: short stacking energy: -289.553 Base-Backbone interact. energy: -1.295 local terms energy: -362.894547 where: bonds (distance) C4'-P energy: -75.525 bonds (distance) P-C4' energy: -72.923 flat angles C4'-P-C4' energy: -83.291 flat angles P-C4'-P energy: -50.327 tors. eta vs tors. theta energy: -80.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -858.847401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.847401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.847401 (E_RNA) where: Base-Base interactions energy: -550.597 where: short stacking energy: -215.425 Base-Backbone interact. energy: -2.756 local terms energy: -305.494426 where: bonds (distance) C4'-P energy: -70.715 bonds (distance) P-C4' energy: -78.318 flat angles C4'-P-C4' energy: -78.475 flat angles P-C4'-P energy: -27.606 tors. eta vs tors. theta energy: -50.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -608.152560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.152560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.152560 (E_RNA) where: Base-Base interactions energy: -344.613 where: short stacking energy: -163.090 Base-Backbone interact. energy: -2.301 local terms energy: -261.238600 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -68.427 flat angles C4'-P-C4' energy: -65.492 flat angles P-C4'-P energy: -35.926 tors. eta vs tors. theta energy: -21.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -404.894299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.894299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.894299 (E_RNA) where: Base-Base interactions energy: -182.545 where: short stacking energy: -130.069 Base-Backbone interact. energy: 3.369 local terms energy: -225.718542 where: bonds (distance) C4'-P energy: -74.574 bonds (distance) P-C4' energy: -69.236 flat angles C4'-P-C4' energy: -55.094 flat angles P-C4'-P energy: -29.501 tors. eta vs tors. theta energy: 2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -409.632996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.632996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.632996 (E_RNA) where: Base-Base interactions energy: -174.186 where: short stacking energy: -121.353 Base-Backbone interact. energy: 1.446 local terms energy: -236.892763 where: bonds (distance) C4'-P energy: -76.134 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -62.278 flat angles P-C4'-P energy: -24.842 tors. eta vs tors. theta energy: -4.267 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: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -308.449056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.449056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.449056 (E_RNA) where: Base-Base interactions energy: -88.699 where: short stacking energy: -74.379 Base-Backbone interact. energy: 1.405 local terms energy: -221.155598 where: bonds (distance) C4'-P energy: -61.917 bonds (distance) P-C4' energy: -80.957 flat angles C4'-P-C4' energy: -54.267 flat angles P-C4'-P energy: -39.320 tors. eta vs tors. theta energy: 15.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1330.707238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.707238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.707238 (E_RNA) where: Base-Base interactions energy: -892.919 where: short stacking energy: -381.108 Base-Backbone interact. energy: -0.822 local terms energy: -436.967096 where: bonds (distance) C4'-P energy: -84.695 bonds (distance) P-C4' energy: -80.940 flat angles C4'-P-C4' energy: -93.490 flat angles P-C4'-P energy: -58.440 tors. eta vs tors. theta energy: -119.403 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: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1263.153192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.153192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.153192 (E_RNA) where: Base-Base interactions energy: -849.882 where: short stacking energy: -360.825 Base-Backbone interact. energy: -2.593 local terms energy: -410.677468 where: bonds (distance) C4'-P energy: -81.684 bonds (distance) P-C4' energy: -77.693 flat angles C4'-P-C4' energy: -86.633 flat angles P-C4'-P energy: -51.558 tors. eta vs tors. theta energy: -113.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1210.052283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.052283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.052283 (E_RNA) where: Base-Base interactions energy: -792.621 where: short stacking energy: -385.369 Base-Backbone interact. energy: -0.013 local terms energy: -417.418269 where: bonds (distance) C4'-P energy: -72.604 bonds (distance) P-C4' energy: -82.709 flat angles C4'-P-C4' energy: -86.090 flat angles P-C4'-P energy: -51.547 tors. eta vs tors. theta energy: -124.468 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: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1103.360709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.360709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.360709 (E_RNA) where: Base-Base interactions energy: -740.371 where: short stacking energy: -288.948 Base-Backbone interact. energy: -0.292 local terms energy: -362.697229 where: bonds (distance) C4'-P energy: -71.224 bonds (distance) P-C4' energy: -79.729 flat angles C4'-P-C4' energy: -77.887 flat angles P-C4'-P energy: -57.847 tors. eta vs tors. theta energy: -76.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1062.861974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.861974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.861974 (E_RNA) where: Base-Base interactions energy: -711.579 where: short stacking energy: -318.555 Base-Backbone interact. energy: 4.944 local terms energy: -356.226755 where: bonds (distance) C4'-P energy: -65.657 bonds (distance) P-C4' energy: -68.231 flat angles C4'-P-C4' energy: -76.808 flat angles P-C4'-P energy: -57.200 tors. eta vs tors. theta energy: -88.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -849.867085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.867085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.867085 (E_RNA) where: Base-Base interactions energy: -553.194 where: short stacking energy: -249.402 Base-Backbone interact. energy: 0.434 local terms energy: -297.107571 where: bonds (distance) C4'-P energy: -66.833 bonds (distance) P-C4' energy: -61.310 flat angles C4'-P-C4' energy: -82.682 flat angles P-C4'-P energy: -28.678 tors. eta vs tors. theta energy: -57.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -620.344043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.344043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.344043 (E_RNA) where: Base-Base interactions energy: -337.052 where: short stacking energy: -163.633 Base-Backbone interact. energy: -0.132 local terms energy: -283.159929 where: bonds (distance) C4'-P energy: -64.512 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -63.530 flat angles P-C4'-P energy: -47.324 tors. eta vs tors. theta energy: -24.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -417.625130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.625130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.625130 (E_RNA) where: Base-Base interactions energy: -166.541 where: short stacking energy: -95.720 Base-Backbone interact. energy: 2.784 local terms energy: -253.868580 where: bonds (distance) C4'-P energy: -72.552 bonds (distance) P-C4' energy: -73.482 flat angles C4'-P-C4' energy: -64.777 flat angles P-C4'-P energy: -44.988 tors. eta vs tors. theta energy: 1.930 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: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -387.509382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.509382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.509382 (E_RNA) where: Base-Base interactions energy: -185.719 where: short stacking energy: -117.803 Base-Backbone interact. energy: -3.138 local terms energy: -198.652169 where: bonds (distance) C4'-P energy: -62.732 bonds (distance) P-C4' energy: -59.585 flat angles C4'-P-C4' energy: -55.631 flat angles P-C4'-P energy: -32.099 tors. eta vs tors. theta energy: 11.394 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: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -325.592189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.592189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.592189 (E_RNA) where: Base-Base interactions energy: -105.481 where: short stacking energy: -87.758 Base-Backbone interact. energy: 0.908 local terms energy: -221.019252 where: bonds (distance) C4'-P energy: -56.429 bonds (distance) P-C4' energy: -73.155 flat angles C4'-P-C4' energy: -57.122 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: 7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1335.249575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.249575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.249575 (E_RNA) where: Base-Base interactions energy: -925.928 where: short stacking energy: -379.354 Base-Backbone interact. energy: -0.510 local terms energy: -408.812093 where: bonds (distance) C4'-P energy: -74.709 bonds (distance) P-C4' energy: -75.095 flat angles C4'-P-C4' energy: -92.147 flat angles P-C4'-P energy: -64.180 tors. eta vs tors. theta energy: -102.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1282.393564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.393564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.393564 (E_RNA) where: Base-Base interactions energy: -872.421 where: short stacking energy: -359.901 Base-Backbone interact. energy: -0.447 local terms energy: -409.526171 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -80.068 flat angles C4'-P-C4' energy: -90.772 flat angles P-C4'-P energy: -56.219 tors. eta vs tors. theta energy: -103.770 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: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1219.181479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.181479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.181479 (E_RNA) where: Base-Base interactions energy: -789.321 where: short stacking energy: -356.198 Base-Backbone interact. energy: -0.982 local terms energy: -428.878749 where: bonds (distance) C4'-P energy: -85.242 bonds (distance) P-C4' energy: -75.043 flat angles C4'-P-C4' energy: -92.449 flat angles P-C4'-P energy: -61.358 tors. eta vs tors. theta energy: -114.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1079.959384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.959384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.959384 (E_RNA) where: Base-Base interactions energy: -746.152 where: short stacking energy: -305.667 Base-Backbone interact. energy: 1.131 local terms energy: -334.939045 where: bonds (distance) C4'-P energy: -70.731 bonds (distance) P-C4' energy: -61.488 flat angles C4'-P-C4' energy: -84.789 flat angles P-C4'-P energy: -48.231 tors. eta vs tors. theta energy: -69.701 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: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1069.505889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.505889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.505889 (E_RNA) where: Base-Base interactions energy: -704.334 where: short stacking energy: -307.066 Base-Backbone interact. energy: -1.049 local terms energy: -364.122827 where: bonds (distance) C4'-P energy: -66.774 bonds (distance) P-C4' energy: -71.174 flat angles C4'-P-C4' energy: -78.425 flat angles P-C4'-P energy: -48.511 tors. eta vs tors. theta energy: -99.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -841.434063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.434063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.434063 (E_RNA) where: Base-Base interactions energy: -537.756 where: short stacking energy: -238.549 Base-Backbone interact. energy: -2.784 local terms energy: -300.894770 where: bonds (distance) C4'-P energy: -77.189 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -61.644 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -54.870 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: 7, replica: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -622.964646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964646 (E_RNA) where: Base-Base interactions energy: -353.453 where: short stacking energy: -183.563 Base-Backbone interact. energy: -0.918 local terms energy: -268.594052 where: bonds (distance) C4'-P energy: -57.843 bonds (distance) P-C4' energy: -73.762 flat angles C4'-P-C4' energy: -64.681 flat angles P-C4'-P energy: -45.087 tors. eta vs tors. theta energy: -27.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -414.569559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.569559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.569559 (E_RNA) where: Base-Base interactions energy: -184.518 where: short stacking energy: -128.112 Base-Backbone interact. energy: -1.647 local terms energy: -228.404866 where: bonds (distance) C4'-P energy: -47.355 bonds (distance) P-C4' energy: -72.559 flat angles C4'-P-C4' energy: -72.104 flat angles P-C4'-P energy: -33.265 tors. eta vs tors. theta energy: -3.123 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: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -338.223589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.223589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.223589 (E_RNA) where: Base-Base interactions energy: -135.430 where: short stacking energy: -95.361 Base-Backbone interact. energy: -1.246 local terms energy: -201.547245 where: bonds (distance) C4'-P energy: -69.272 bonds (distance) P-C4' energy: -67.031 flat angles C4'-P-C4' energy: -56.843 flat angles P-C4'-P energy: -22.808 tors. eta vs tors. theta energy: 14.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -304.235735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.235735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.235735 (E_RNA) where: Base-Base interactions energy: -141.420 where: short stacking energy: -95.669 Base-Backbone interact. energy: 2.702 local terms energy: -165.517727 where: bonds (distance) C4'-P energy: -57.755 bonds (distance) P-C4' energy: -49.554 flat angles C4'-P-C4' energy: -46.749 flat angles P-C4'-P energy: -25.936 tors. eta vs tors. theta energy: 14.477 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: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1337.469927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.469927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.469927 (E_RNA) where: Base-Base interactions energy: -920.468 where: short stacking energy: -380.484 Base-Backbone interact. energy: -2.178 local terms energy: -414.823420 where: bonds (distance) C4'-P energy: -62.852 bonds (distance) P-C4' energy: -83.994 flat angles C4'-P-C4' energy: -93.787 flat angles P-C4'-P energy: -57.699 tors. eta vs tors. theta energy: -116.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1275.346626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.346626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.346626 (E_RNA) where: Base-Base interactions energy: -844.112 where: short stacking energy: -364.313 Base-Backbone interact. energy: -0.363 local terms energy: -430.870828 where: bonds (distance) C4'-P energy: -79.304 bonds (distance) P-C4' energy: -82.822 flat angles C4'-P-C4' energy: -87.769 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: -122.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1232.996108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.996108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.996108 (E_RNA) where: Base-Base interactions energy: -850.019 where: short stacking energy: -365.214 Base-Backbone interact. energy: 0.342 local terms energy: -383.319551 where: bonds (distance) C4'-P energy: -72.402 bonds (distance) P-C4' energy: -73.759 flat angles C4'-P-C4' energy: -78.395 flat angles P-C4'-P energy: -53.054 tors. eta vs tors. theta energy: -105.709 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: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1083.084104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.084104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.084104 (E_RNA) where: Base-Base interactions energy: -719.558 where: short stacking energy: -311.071 Base-Backbone interact. energy: -1.217 local terms energy: -362.309540 where: bonds (distance) C4'-P energy: -67.027 bonds (distance) P-C4' energy: -75.333 flat angles C4'-P-C4' energy: -90.563 flat angles P-C4'-P energy: -54.036 tors. eta vs tors. theta energy: -75.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1067.859646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.859646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.859646 (E_RNA) where: Base-Base interactions energy: -707.283 where: short stacking energy: -288.235 Base-Backbone interact. energy: 0.505 local terms energy: -361.081519 where: bonds (distance) C4'-P energy: -70.759 bonds (distance) P-C4' energy: -76.715 flat angles C4'-P-C4' energy: -75.020 flat angles P-C4'-P energy: -55.483 tors. eta vs tors. theta energy: -83.104 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: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -819.549315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.549315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.549315 (E_RNA) where: Base-Base interactions energy: -518.284 where: short stacking energy: -262.095 Base-Backbone interact. energy: -1.510 local terms energy: -299.754480 where: bonds (distance) C4'-P energy: -55.976 bonds (distance) P-C4' energy: -65.425 flat angles C4'-P-C4' energy: -70.037 flat angles P-C4'-P energy: -53.286 tors. eta vs tors. theta energy: -55.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -650.615162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.615162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.615162 (E_RNA) where: Base-Base interactions energy: -365.731 where: short stacking energy: -186.336 Base-Backbone interact. energy: -1.921 local terms energy: -282.962618 where: bonds (distance) C4'-P energy: -65.354 bonds (distance) P-C4' energy: -76.427 flat angles C4'-P-C4' energy: -61.191 flat angles P-C4'-P energy: -52.782 tors. eta vs tors. theta energy: -27.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -373.944576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.944576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.944576 (E_RNA) where: Base-Base interactions energy: -124.181 where: short stacking energy: -96.836 Base-Backbone interact. energy: 3.513 local terms energy: -253.276725 where: bonds (distance) C4'-P energy: -64.086 bonds (distance) P-C4' energy: -79.682 flat angles C4'-P-C4' energy: -78.337 flat angles P-C4'-P energy: -34.364 tors. eta vs tors. theta energy: 3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -398.589839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.589839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.589839 (E_RNA) where: Base-Base interactions energy: -169.125 where: short stacking energy: -118.603 Base-Backbone interact. energy: -0.939 local terms energy: -228.526236 where: bonds (distance) C4'-P energy: -62.064 bonds (distance) P-C4' energy: -73.269 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -36.390 tors. eta vs tors. theta energy: 2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -302.336640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.336640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.336640 (E_RNA) where: Base-Base interactions energy: -95.105 where: short stacking energy: -75.359 Base-Backbone interact. energy: 4.688 local terms energy: -211.919257 where: bonds (distance) C4'-P energy: -86.245 bonds (distance) P-C4' energy: -72.291 flat angles C4'-P-C4' energy: -56.577 flat angles P-C4'-P energy: -29.035 tors. eta vs tors. theta energy: 32.228 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: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1353.482379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.482379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.482379 (E_RNA) where: Base-Base interactions energy: -923.328 where: short stacking energy: -399.037 Base-Backbone interact. energy: -1.784 local terms energy: -428.370389 where: bonds (distance) C4'-P energy: -77.130 bonds (distance) P-C4' energy: -80.778 flat angles C4'-P-C4' energy: -90.041 flat angles P-C4'-P energy: -60.286 tors. eta vs tors. theta energy: -120.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1284.610945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.610945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.610945 (E_RNA) where: Base-Base interactions energy: -866.749 where: short stacking energy: -378.415 Base-Backbone interact. energy: -0.405 local terms energy: -417.456860 where: bonds (distance) C4'-P energy: -75.301 bonds (distance) P-C4' energy: -76.512 flat angles C4'-P-C4' energy: -88.410 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -119.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1236.436711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.436711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.436711 (E_RNA) where: Base-Base interactions energy: -837.257 where: short stacking energy: -343.893 Base-Backbone interact. energy: -2.518 local terms energy: -396.661627 where: bonds (distance) C4'-P energy: -81.402 bonds (distance) P-C4' energy: -76.512 flat angles C4'-P-C4' energy: -83.145 flat angles P-C4'-P energy: -53.500 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: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1093.207221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.207221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.207221 (E_RNA) where: Base-Base interactions energy: -711.483 where: short stacking energy: -312.554 Base-Backbone interact. energy: -3.728 local terms energy: -377.996219 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -79.995 flat angles C4'-P-C4' energy: -85.768 flat angles P-C4'-P energy: -53.831 tors. eta vs tors. theta energy: -87.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1069.867333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.867333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.867333 (E_RNA) where: Base-Base interactions energy: -715.947 where: short stacking energy: -318.298 Base-Backbone interact. energy: -2.211 local terms energy: -351.709137 where: bonds (distance) C4'-P energy: -81.066 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -72.355 flat angles P-C4'-P energy: -50.177 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: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -808.592547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.592547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.592547 (E_RNA) where: Base-Base interactions energy: -509.347 where: short stacking energy: -224.718 Base-Backbone interact. energy: 0.108 local terms energy: -299.354355 where: bonds (distance) C4'-P energy: -64.423 bonds (distance) P-C4' energy: -71.005 flat angles C4'-P-C4' energy: -69.919 flat angles P-C4'-P energy: -45.721 tors. eta vs tors. theta energy: -48.287 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: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -688.136756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.136756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.136756 (E_RNA) where: Base-Base interactions energy: -388.434 where: short stacking energy: -202.250 Base-Backbone interact. energy: -0.415 local terms energy: -299.287530 where: bonds (distance) C4'-P energy: -83.520 bonds (distance) P-C4' energy: -68.045 flat angles C4'-P-C4' energy: -66.315 flat angles P-C4'-P energy: -34.463 tors. eta vs tors. theta energy: -46.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -350.688559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.688559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.688559 (E_RNA) where: Base-Base interactions energy: -137.108 where: short stacking energy: -93.656 Base-Backbone interact. energy: 1.035 local terms energy: -214.615104 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -56.983 flat angles C4'-P-C4' energy: -51.331 flat angles P-C4'-P energy: -34.444 tors. eta vs tors. theta energy: 13.253 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: 9, replica: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -436.945715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.945715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.945715 (E_RNA) where: Base-Base interactions energy: -197.628 where: short stacking energy: -126.878 Base-Backbone interact. energy: -0.733 local terms energy: -238.585230 where: bonds (distance) C4'-P energy: -67.071 bonds (distance) P-C4' energy: -77.619 flat angles C4'-P-C4' energy: -66.045 flat angles P-C4'-P energy: -29.044 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: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -303.135402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.135402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.135402 (E_RNA) where: Base-Base interactions energy: -102.485 where: short stacking energy: -53.526 Base-Backbone interact. energy: 1.731 local terms energy: -202.381986 where: bonds (distance) C4'-P energy: -64.239 bonds (distance) P-C4' energy: -78.571 flat angles C4'-P-C4' energy: -49.266 flat angles P-C4'-P energy: -42.193 tors. eta vs tors. theta energy: 31.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1360.803774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.803774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.803774 (E_RNA) where: Base-Base interactions energy: -931.609 where: short stacking energy: -403.532 Base-Backbone interact. energy: -2.404 local terms energy: -426.790683 where: bonds (distance) C4'-P energy: -68.827 bonds (distance) P-C4' energy: -74.225 flat angles C4'-P-C4' energy: -91.870 flat angles P-C4'-P energy: -66.129 tors. eta vs tors. theta energy: -125.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1247.171686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.171686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.171686 (E_RNA) where: Base-Base interactions energy: -811.293 where: short stacking energy: -380.307 Base-Backbone interact. energy: -1.668 local terms energy: -434.211105 where: bonds (distance) C4'-P energy: -77.252 bonds (distance) P-C4' energy: -77.176 flat angles C4'-P-C4' energy: -89.210 flat angles P-C4'-P energy: -68.654 tors. eta vs tors. theta energy: -121.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1234.001261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.001261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.001261 (E_RNA) where: Base-Base interactions energy: -851.737 where: short stacking energy: -352.111 Base-Backbone interact. energy: -2.212 local terms energy: -380.053076 where: bonds (distance) C4'-P energy: -77.623 bonds (distance) P-C4' energy: -64.587 flat angles C4'-P-C4' energy: -81.699 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -104.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1105.681835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.681835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.681835 (E_RNA) where: Base-Base interactions energy: -737.420 where: short stacking energy: -339.433 Base-Backbone interact. energy: -2.976 local terms energy: -365.286367 where: bonds (distance) C4'-P energy: -84.924 bonds (distance) P-C4' energy: -69.247 flat angles C4'-P-C4' energy: -80.220 flat angles P-C4'-P energy: -52.214 tors. eta vs tors. theta energy: -78.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1055.732034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.732034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.732034 (E_RNA) where: Base-Base interactions energy: -693.684 where: short stacking energy: -310.991 Base-Backbone interact. energy: -2.049 local terms energy: -359.999399 where: bonds (distance) C4'-P energy: -69.581 bonds (distance) P-C4' energy: -70.738 flat angles C4'-P-C4' energy: -81.445 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: -92.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -815.589141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.589141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.589141 (E_RNA) where: Base-Base interactions energy: -525.144 where: short stacking energy: -228.387 Base-Backbone interact. energy: -0.773 local terms energy: -289.671649 where: bonds (distance) C4'-P energy: -69.949 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -73.953 flat angles P-C4'-P energy: -29.343 tors. eta vs tors. theta energy: -47.103 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: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -610.827232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.827232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.827232 (E_RNA) where: Base-Base interactions energy: -352.950 where: short stacking energy: -178.377 Base-Backbone interact. energy: -2.767 local terms energy: -255.109919 where: bonds (distance) C4'-P energy: -69.268 bonds (distance) P-C4' energy: -57.242 flat angles C4'-P-C4' energy: -62.740 flat angles P-C4'-P energy: -40.231 tors. eta vs tors. theta energy: -25.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -365.702090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.702090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.702090 (E_RNA) where: Base-Base interactions energy: -148.244 where: short stacking energy: -111.448 Base-Backbone interact. energy: -2.662 local terms energy: -214.795719 where: bonds (distance) C4'-P energy: -61.337 bonds (distance) P-C4' energy: -55.575 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -33.185 tors. eta vs tors. theta energy: 0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -354.400942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.400942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.400942 (E_RNA) where: Base-Base interactions energy: -150.251 where: short stacking energy: -104.279 Base-Backbone interact. energy: -1.439 local terms energy: -202.711354 where: bonds (distance) C4'-P energy: -58.137 bonds (distance) P-C4' energy: -68.778 flat angles C4'-P-C4' energy: -44.503 flat angles P-C4'-P energy: -47.816 tors. eta vs tors. theta energy: 16.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -352.392986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.392986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.392986 (E_RNA) where: Base-Base interactions energy: -124.893 where: short stacking energy: -108.956 Base-Backbone interact. energy: -3.516 local terms energy: -223.983627 where: bonds (distance) C4'-P energy: -75.243 bonds (distance) P-C4' energy: -70.905 flat angles C4'-P-C4' energy: -42.853 flat angles P-C4'-P energy: -37.747 tors. eta vs tors. theta energy: 2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1360.399471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.399471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.399471 (E_RNA) where: Base-Base interactions energy: -924.663 where: short stacking energy: -399.122 Base-Backbone interact. energy: 1.229 local terms energy: -436.965561 where: bonds (distance) C4'-P energy: -82.997 bonds (distance) P-C4' energy: -84.888 flat angles C4'-P-C4' energy: -88.953 flat angles P-C4'-P energy: -62.839 tors. eta vs tors. theta energy: -117.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1257.602916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.602916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.602916 (E_RNA) where: Base-Base interactions energy: -834.032 where: short stacking energy: -386.641 Base-Backbone interact. energy: -1.518 local terms energy: -422.053299 where: bonds (distance) C4'-P energy: -68.605 bonds (distance) P-C4' energy: -76.840 flat angles C4'-P-C4' energy: -94.075 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -124.913 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: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1233.142943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.142943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.142943 (E_RNA) where: Base-Base interactions energy: -840.206 where: short stacking energy: -354.447 Base-Backbone interact. energy: -0.311 local terms energy: -392.626536 where: bonds (distance) C4'-P energy: -70.038 bonds (distance) P-C4' energy: -78.229 flat angles C4'-P-C4' energy: -84.228 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -106.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1110.945403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.945403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.945403 (E_RNA) where: Base-Base interactions energy: -727.448 where: short stacking energy: -307.982 Base-Backbone interact. energy: -1.641 local terms energy: -381.856382 where: bonds (distance) C4'-P energy: -79.464 bonds (distance) P-C4' energy: -76.892 flat angles C4'-P-C4' energy: -76.923 flat angles P-C4'-P energy: -51.735 tors. eta vs tors. theta energy: -96.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1058.525934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.525934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.525934 (E_RNA) where: Base-Base interactions energy: -699.935 where: short stacking energy: -291.414 Base-Backbone interact. energy: -0.475 local terms energy: -358.116160 where: bonds (distance) C4'-P energy: -67.126 bonds (distance) P-C4' energy: -89.461 flat angles C4'-P-C4' energy: -70.851 flat angles P-C4'-P energy: -51.811 tors. eta vs tors. theta energy: -78.867 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: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -774.589214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.589214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.589214 (E_RNA) where: Base-Base interactions energy: -481.560 where: short stacking energy: -227.653 Base-Backbone interact. energy: -1.097 local terms energy: -291.932772 where: bonds (distance) C4'-P energy: -63.956 bonds (distance) P-C4' energy: -74.005 flat angles C4'-P-C4' energy: -71.966 flat angles P-C4'-P energy: -31.227 tors. eta vs tors. theta energy: -50.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -604.932300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.932300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.932300 (E_RNA) where: Base-Base interactions energy: -337.906 where: short stacking energy: -176.899 Base-Backbone interact. energy: 3.893 local terms energy: -270.918976 where: bonds (distance) C4'-P energy: -77.430 bonds (distance) P-C4' energy: -64.946 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -46.314 tors. eta vs tors. theta energy: -12.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -380.460093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.460093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.460093 (E_RNA) where: Base-Base interactions energy: -139.417 where: short stacking energy: -89.319 Base-Backbone interact. energy: 1.257 local terms energy: -242.300308 where: bonds (distance) C4'-P energy: -68.593 bonds (distance) P-C4' energy: -67.882 flat angles C4'-P-C4' energy: -76.592 flat angles P-C4'-P energy: -29.051 tors. eta vs tors. theta energy: -0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -353.274287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.274287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.274287 (E_RNA) where: Base-Base interactions energy: -112.882 where: short stacking energy: -91.592 Base-Backbone interact. energy: -3.281 local terms energy: -237.111319 where: bonds (distance) C4'-P energy: -70.405 bonds (distance) P-C4' energy: -81.032 flat angles C4'-P-C4' energy: -62.620 flat angles P-C4'-P energy: -42.184 tors. eta vs tors. theta energy: 19.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -317.763515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.763515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.763515 (E_RNA) where: Base-Base interactions energy: -111.459 where: short stacking energy: -86.938 Base-Backbone interact. energy: -0.629 local terms energy: -205.675361 where: bonds (distance) C4'-P energy: -59.628 bonds (distance) P-C4' energy: -66.739 flat angles C4'-P-C4' energy: -62.635 flat angles P-C4'-P energy: -34.322 tors. eta vs tors. theta energy: 17.649 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: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1329.095972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.095972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.095972 (E_RNA) where: Base-Base interactions energy: -921.430 where: short stacking energy: -378.766 Base-Backbone interact. energy: 1.946 local terms energy: -409.612632 where: bonds (distance) C4'-P energy: -66.893 bonds (distance) P-C4' energy: -74.334 flat angles C4'-P-C4' energy: -95.277 flat angles P-C4'-P energy: -61.101 tors. eta vs tors. theta energy: -112.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1259.597541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.597541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.597541 (E_RNA) where: Base-Base interactions energy: -824.959 where: short stacking energy: -349.283 Base-Backbone interact. energy: 0.667 local terms energy: -435.304763 where: bonds (distance) C4'-P energy: -83.169 bonds (distance) P-C4' energy: -81.714 flat angles C4'-P-C4' energy: -88.167 flat angles P-C4'-P energy: -60.368 tors. eta vs tors. theta energy: -121.886 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: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1224.933085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.933085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.933085 (E_RNA) where: Base-Base interactions energy: -834.091 where: short stacking energy: -344.373 Base-Backbone interact. energy: 1.304 local terms energy: -392.145825 where: bonds (distance) C4'-P energy: -66.441 bonds (distance) P-C4' energy: -73.421 flat angles C4'-P-C4' energy: -95.411 flat angles P-C4'-P energy: -46.916 tors. eta vs tors. theta energy: -109.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1120.610762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.610762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.610762 (E_RNA) where: Base-Base interactions energy: -746.180 where: short stacking energy: -298.861 Base-Backbone interact. energy: -3.669 local terms energy: -370.761686 where: bonds (distance) C4'-P energy: -76.224 bonds (distance) P-C4' energy: -84.721 flat angles C4'-P-C4' energy: -76.931 flat angles P-C4'-P energy: -46.196 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: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1059.344147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.344147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.344147 (E_RNA) where: Base-Base interactions energy: -704.429 where: short stacking energy: -316.814 Base-Backbone interact. energy: -0.830 local terms energy: -354.085225 where: bonds (distance) C4'-P energy: -60.905 bonds (distance) P-C4' energy: -64.288 flat angles C4'-P-C4' energy: -81.948 flat angles P-C4'-P energy: -50.413 tors. eta vs tors. theta energy: -96.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -806.650101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.650101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.650101 (E_RNA) where: Base-Base interactions energy: -492.106 where: short stacking energy: -231.834 Base-Backbone interact. energy: 0.191 local terms energy: -314.735736 where: bonds (distance) C4'-P energy: -76.500 bonds (distance) P-C4' energy: -61.882 flat angles C4'-P-C4' energy: -74.193 flat angles P-C4'-P energy: -47.255 tors. eta vs tors. theta energy: -54.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -603.639811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.639811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.639811 (E_RNA) where: Base-Base interactions energy: -312.664 where: short stacking energy: -179.209 Base-Backbone interact. energy: -1.455 local terms energy: -289.520935 where: bonds (distance) C4'-P energy: -65.576 bonds (distance) P-C4' energy: -79.448 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -43.066 tors. eta vs tors. theta energy: -33.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -406.802310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.802310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.802310 (E_RNA) where: Base-Base interactions energy: -191.830 where: short stacking energy: -127.137 Base-Backbone interact. energy: 3.299 local terms energy: -218.271429 where: bonds (distance) C4'-P energy: -72.052 bonds (distance) P-C4' energy: -57.366 flat angles C4'-P-C4' energy: -51.526 flat angles P-C4'-P energy: -31.008 tors. eta vs tors. theta energy: -6.318 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: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -351.651778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.651778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.651778 (E_RNA) where: Base-Base interactions energy: -117.874 where: short stacking energy: -97.433 Base-Backbone interact. energy: -2.590 local terms energy: -231.187352 where: bonds (distance) C4'-P energy: -68.544 bonds (distance) P-C4' energy: -67.844 flat angles C4'-P-C4' energy: -62.577 flat angles P-C4'-P energy: -34.164 tors. eta vs tors. theta energy: 1.941 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: 349 Temperature: 1.350000 Total energy: -302.152814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.152814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.152814 (E_RNA) where: Base-Base interactions energy: -86.007 where: short stacking energy: -64.146 Base-Backbone interact. energy: 5.649 local terms energy: -221.795272 where: bonds (distance) C4'-P energy: -64.461 bonds (distance) P-C4' energy: -71.383 flat angles C4'-P-C4' energy: -58.019 flat angles P-C4'-P energy: -43.847 tors. eta vs tors. theta energy: 15.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1346.692404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.692404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.692404 (E_RNA) where: Base-Base interactions energy: -897.627 where: short stacking energy: -381.533 Base-Backbone interact. energy: -1.479 local terms energy: -447.586080 where: bonds (distance) C4'-P energy: -79.667 bonds (distance) P-C4' energy: -78.772 flat angles C4'-P-C4' energy: -102.285 flat angles P-C4'-P energy: -65.484 tors. eta vs tors. theta energy: -121.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1254.483971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.483971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.483971 (E_RNA) where: Base-Base interactions energy: -819.723 where: short stacking energy: -380.096 Base-Backbone interact. energy: 0.094 local terms energy: -434.854490 where: bonds (distance) C4'-P energy: -78.876 bonds (distance) P-C4' energy: -86.550 flat angles C4'-P-C4' energy: -91.504 flat angles P-C4'-P energy: -61.503 tors. eta vs tors. theta energy: -116.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1236.843647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.843647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.843647 (E_RNA) where: Base-Base interactions energy: -819.437 where: short stacking energy: -354.345 Base-Backbone interact. energy: -2.135 local terms energy: -415.271516 where: bonds (distance) C4'-P energy: -84.950 bonds (distance) P-C4' energy: -78.347 flat angles C4'-P-C4' energy: -87.139 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -105.699 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: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1130.227245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.227245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.227245 (E_RNA) where: Base-Base interactions energy: -760.854 where: short stacking energy: -320.264 Base-Backbone interact. energy: 1.335 local terms energy: -370.707997 where: bonds (distance) C4'-P energy: -72.091 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -85.362 flat angles P-C4'-P energy: -60.483 tors. eta vs tors. theta energy: -77.646 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: 10 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1043.430781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.430781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.430781 (E_RNA) where: Base-Base interactions energy: -689.319 where: short stacking energy: -297.186 Base-Backbone interact. energy: -1.958 local terms energy: -352.153569 where: bonds (distance) C4'-P energy: -67.470 bonds (distance) P-C4' energy: -68.605 flat angles C4'-P-C4' energy: -85.252 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: -88.361 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: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -803.606680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.606680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.606680 (E_RNA) where: Base-Base interactions energy: -498.030 where: short stacking energy: -249.002 Base-Backbone interact. energy: 4.369 local terms energy: -309.945704 where: bonds (distance) C4'-P energy: -58.276 bonds (distance) P-C4' energy: -73.025 flat angles C4'-P-C4' energy: -80.318 flat angles P-C4'-P energy: -44.840 tors. eta vs tors. theta energy: -53.487 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: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -649.013205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.013205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.013205 (E_RNA) where: Base-Base interactions energy: -350.156 where: short stacking energy: -205.194 Base-Backbone interact. energy: 1.083 local terms energy: -299.939674 where: bonds (distance) C4'-P energy: -70.352 bonds (distance) P-C4' energy: -69.328 flat angles C4'-P-C4' energy: -68.077 flat angles P-C4'-P energy: -51.668 tors. eta vs tors. theta energy: -40.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -368.428355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.428355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.428355 (E_RNA) where: Base-Base interactions energy: -145.918 where: short stacking energy: -120.961 Base-Backbone interact. energy: -1.461 local terms energy: -221.049413 where: bonds (distance) C4'-P energy: -61.088 bonds (distance) P-C4' energy: -74.645 flat angles C4'-P-C4' energy: -46.995 flat angles P-C4'-P energy: -30.286 tors. eta vs tors. theta energy: -8.035 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: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -334.279409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.279409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.279409 (E_RNA) where: Base-Base interactions energy: -110.991 where: short stacking energy: -86.882 Base-Backbone interact. energy: -2.590 local terms energy: -220.698061 where: bonds (distance) C4'-P energy: -80.930 bonds (distance) P-C4' energy: -70.082 flat angles C4'-P-C4' energy: -46.548 flat angles P-C4'-P energy: -39.612 tors. eta vs tors. theta energy: 16.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -304.864278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.864278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.864278 (E_RNA) where: Base-Base interactions energy: -102.685 where: short stacking energy: -63.961 Base-Backbone interact. energy: -1.312 local terms energy: -200.867456 where: bonds (distance) C4'-P energy: -57.758 bonds (distance) P-C4' energy: -79.318 flat angles C4'-P-C4' energy: -57.609 flat angles P-C4'-P energy: -24.244 tors. eta vs tors. theta energy: 18.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1327.255837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.255837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.255837 (E_RNA) where: Base-Base interactions energy: -897.041 where: short stacking energy: -399.278 Base-Backbone interact. energy: -1.743 local terms energy: -428.472734 where: bonds (distance) C4'-P energy: -74.600 bonds (distance) P-C4' energy: -85.033 flat angles C4'-P-C4' energy: -95.422 flat angles P-C4'-P energy: -60.377 tors. eta vs tors. theta energy: -113.041 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: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1269.335866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.335866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.335866 (E_RNA) where: Base-Base interactions energy: -849.756 where: short stacking energy: -359.521 Base-Backbone interact. energy: -1.419 local terms energy: -418.160865 where: bonds (distance) C4'-P energy: -78.387 bonds (distance) P-C4' energy: -80.732 flat angles C4'-P-C4' energy: -90.596 flat angles P-C4'-P energy: -54.286 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: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1208.115576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.115576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.115576 (E_RNA) where: Base-Base interactions energy: -823.631 where: short stacking energy: -362.856 Base-Backbone interact. energy: -1.020 local terms energy: -383.465145 where: bonds (distance) C4'-P energy: -73.924 bonds (distance) P-C4' energy: -68.314 flat angles C4'-P-C4' energy: -82.307 flat angles P-C4'-P energy: -49.255 tors. eta vs tors. theta energy: -109.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1083.812151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.812151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.812151 (E_RNA) where: Base-Base interactions energy: -720.295 where: short stacking energy: -311.655 Base-Backbone interact. energy: -2.756 local terms energy: -360.760774 where: bonds (distance) C4'-P energy: -71.067 bonds (distance) P-C4' energy: -74.673 flat angles C4'-P-C4' energy: -87.974 flat angles P-C4'-P energy: -42.505 tors. eta vs tors. theta energy: -84.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1046.386098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.386098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.386098 (E_RNA) where: Base-Base interactions energy: -689.060 where: short stacking energy: -293.071 Base-Backbone interact. energy: 0.075 local terms energy: -357.401227 where: bonds (distance) C4'-P energy: -59.532 bonds (distance) P-C4' energy: -79.723 flat angles C4'-P-C4' energy: -76.352 flat angles P-C4'-P energy: -51.651 tors. eta vs tors. theta energy: -90.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -765.945624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.945624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.945624 (E_RNA) where: Base-Base interactions energy: -462.344 where: short stacking energy: -221.167 Base-Backbone interact. energy: -1.490 local terms energy: -302.111179 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -67.568 flat angles C4'-P-C4' energy: -62.706 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: -47.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -598.656261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.656261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.656261 (E_RNA) where: Base-Base interactions energy: -340.684 where: short stacking energy: -197.105 Base-Backbone interact. energy: -2.249 local terms energy: -255.723358 where: bonds (distance) C4'-P energy: -53.715 bonds (distance) P-C4' energy: -73.611 flat angles C4'-P-C4' energy: -74.497 flat angles P-C4'-P energy: -31.060 tors. eta vs tors. theta energy: -22.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -362.943642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.943642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.943642 (E_RNA) where: Base-Base interactions energy: -144.969 where: short stacking energy: -106.989 Base-Backbone interact. energy: 1.486 local terms energy: -219.461154 where: bonds (distance) C4'-P energy: -55.702 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -61.618 flat angles P-C4'-P energy: -38.245 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -332.795455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.795455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.795455 (E_RNA) where: Base-Base interactions energy: -126.202 where: short stacking energy: -93.445 Base-Backbone interact. energy: -2.195 local terms energy: -204.397979 where: bonds (distance) C4'-P energy: -67.895 bonds (distance) P-C4' energy: -77.199 flat angles C4'-P-C4' energy: -58.167 flat angles P-C4'-P energy: -22.202 tors. eta vs tors. theta energy: 21.065 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: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -315.491790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.491790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.491790 (E_RNA) where: Base-Base interactions energy: -110.774 where: short stacking energy: -90.808 Base-Backbone interact. energy: 0.598 local terms energy: -205.315752 where: bonds (distance) C4'-P energy: -44.636 bonds (distance) P-C4' energy: -71.485 flat angles C4'-P-C4' energy: -73.131 flat angles P-C4'-P energy: -24.207 tors. eta vs tors. theta energy: 8.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1318.131901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.131901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.131901 (E_RNA) where: Base-Base interactions energy: -915.430 where: short stacking energy: -385.555 Base-Backbone interact. energy: -2.726 local terms energy: -399.975752 where: bonds (distance) C4'-P energy: -69.587 bonds (distance) P-C4' energy: -87.987 flat angles C4'-P-C4' energy: -87.864 flat angles P-C4'-P energy: -47.172 tors. eta vs tors. theta energy: -107.365 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: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1301.804121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.804121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.804121 (E_RNA) where: Base-Base interactions energy: -885.230 where: short stacking energy: -372.322 Base-Backbone interact. energy: -1.760 local terms energy: -414.813248 where: bonds (distance) C4'-P energy: -81.894 bonds (distance) P-C4' energy: -76.947 flat angles C4'-P-C4' energy: -91.275 flat angles P-C4'-P energy: -51.106 tors. eta vs tors. theta energy: -113.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1172.493731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.493731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.493731 (E_RNA) where: Base-Base interactions energy: -772.810 where: short stacking energy: -339.458 Base-Backbone interact. energy: -0.800 local terms energy: -398.883792 where: bonds (distance) C4'-P energy: -75.565 bonds (distance) P-C4' energy: -65.940 flat angles C4'-P-C4' energy: -92.014 flat angles P-C4'-P energy: -52.002 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: 352 Temperature: 1.050000 Total energy: -1103.505314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.505314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.505314 (E_RNA) where: Base-Base interactions energy: -722.911 where: short stacking energy: -299.432 Base-Backbone interact. energy: -1.959 local terms energy: -378.635361 where: bonds (distance) C4'-P energy: -73.554 bonds (distance) P-C4' energy: -78.306 flat angles C4'-P-C4' energy: -87.101 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: -90.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1055.285814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.285814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.285814 (E_RNA) where: Base-Base interactions energy: -700.834 where: short stacking energy: -305.757 Base-Backbone interact. energy: 0.189 local terms energy: -354.641163 where: bonds (distance) C4'-P energy: -63.033 bonds (distance) P-C4' energy: -70.699 flat angles C4'-P-C4' energy: -73.548 flat angles P-C4'-P energy: -53.150 tors. eta vs tors. theta energy: -94.211 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: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -777.586666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.586666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.586666 (E_RNA) where: Base-Base interactions energy: -502.293 where: short stacking energy: -222.459 Base-Backbone interact. energy: -0.351 local terms energy: -274.943220 where: bonds (distance) C4'-P energy: -63.292 bonds (distance) P-C4' energy: -63.351 flat angles C4'-P-C4' energy: -61.841 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -43.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -638.138162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.138162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.138162 (E_RNA) where: Base-Base interactions energy: -362.429 where: short stacking energy: -179.587 Base-Backbone interact. energy: 2.648 local terms energy: -278.357485 where: bonds (distance) C4'-P energy: -65.965 bonds (distance) P-C4' energy: -70.417 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -33.618 tors. eta vs tors. theta energy: -39.918 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: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -364.050557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.050557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.050557 (E_RNA) where: Base-Base interactions energy: -135.280 where: short stacking energy: -119.613 Base-Backbone interact. energy: 6.452 local terms energy: -235.222608 where: bonds (distance) C4'-P energy: -65.849 bonds (distance) P-C4' energy: -68.232 flat angles C4'-P-C4' energy: -65.664 flat angles P-C4'-P energy: -35.595 tors. eta vs tors. theta energy: 0.118 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: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -359.829408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.829408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.829408 (E_RNA) where: Base-Base interactions energy: -126.799 where: short stacking energy: -101.561 Base-Backbone interact. energy: -1.859 local terms energy: -231.171482 where: bonds (distance) C4'-P energy: -71.603 bonds (distance) P-C4' energy: -74.353 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -25.968 tors. eta vs tors. theta energy: 14.004 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: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -324.102919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.102919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.102919 (E_RNA) where: Base-Base interactions energy: -113.864 where: short stacking energy: -94.008 Base-Backbone interact. energy: 0.265 local terms energy: -210.503347 where: bonds (distance) C4'-P energy: -79.047 bonds (distance) P-C4' energy: -62.736 flat angles C4'-P-C4' energy: -52.070 flat angles P-C4'-P energy: -28.393 tors. eta vs tors. theta energy: 11.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1321.320023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.320023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.320023 (E_RNA) where: Base-Base interactions energy: -879.357 where: short stacking energy: -397.761 Base-Backbone interact. energy: -2.822 local terms energy: -439.141184 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -89.498 flat angles C4'-P-C4' energy: -93.762 flat angles P-C4'-P energy: -67.428 tors. eta vs tors. theta energy: -113.867 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: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1285.296433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.296433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.296433 (E_RNA) where: Base-Base interactions energy: -863.211 where: short stacking energy: -357.028 Base-Backbone interact. energy: -1.628 local terms energy: -420.456968 where: bonds (distance) C4'-P energy: -88.491 bonds (distance) P-C4' energy: -70.608 flat angles C4'-P-C4' energy: -87.049 flat angles P-C4'-P energy: -58.900 tors. eta vs tors. theta energy: -115.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1197.400352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.400352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.400352 (E_RNA) where: Base-Base interactions energy: -804.737 where: short stacking energy: -355.731 Base-Backbone interact. energy: 1.879 local terms energy: -394.541445 where: bonds (distance) C4'-P energy: -64.637 bonds (distance) P-C4' energy: -76.794 flat angles C4'-P-C4' energy: -82.848 flat angles P-C4'-P energy: -60.711 tors. eta vs tors. theta energy: -109.551 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: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1106.712872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.712872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.712872 (E_RNA) where: Base-Base interactions energy: -734.492 where: short stacking energy: -308.974 Base-Backbone interact. energy: -2.206 local terms energy: -370.014703 where: bonds (distance) C4'-P energy: -66.347 bonds (distance) P-C4' energy: -74.166 flat angles C4'-P-C4' energy: -87.300 flat angles P-C4'-P energy: -57.911 tors. eta vs tors. theta energy: -84.291 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: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1023.653329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.653329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.653329 (E_RNA) where: Base-Base interactions energy: -683.204 where: short stacking energy: -316.016 Base-Backbone interact. energy: -0.767 local terms energy: -339.682266 where: bonds (distance) C4'-P energy: -54.845 bonds (distance) P-C4' energy: -69.817 flat angles C4'-P-C4' energy: -81.927 flat angles P-C4'-P energy: -51.256 tors. eta vs tors. theta energy: -81.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -812.930155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.930155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.930155 (E_RNA) where: Base-Base interactions energy: -522.697 where: short stacking energy: -235.245 Base-Backbone interact. energy: 2.162 local terms energy: -292.395443 where: bonds (distance) C4'-P energy: -66.766 bonds (distance) P-C4' energy: -66.642 flat angles C4'-P-C4' energy: -62.814 flat angles P-C4'-P energy: -48.033 tors. eta vs tors. theta energy: -48.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -611.049107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.049107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.049107 (E_RNA) where: Base-Base interactions energy: -358.668 where: short stacking energy: -186.540 Base-Backbone interact. energy: 0.185 local terms energy: -252.566362 where: bonds (distance) C4'-P energy: -58.524 bonds (distance) P-C4' energy: -66.300 flat angles C4'-P-C4' energy: -67.249 flat angles P-C4'-P energy: -39.675 tors. eta vs tors. theta energy: -20.817 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: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -385.237329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.237329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.237329 (E_RNA) where: Base-Base interactions energy: -159.842 where: short stacking energy: -99.069 Base-Backbone interact. energy: 3.454 local terms energy: -228.849889 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -66.804 flat angles C4'-P-C4' energy: -55.691 flat angles P-C4'-P energy: -36.148 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: 9, replica: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -358.598694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.598694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.598694 (E_RNA) where: Base-Base interactions energy: -146.556 where: short stacking energy: -103.417 Base-Backbone interact. energy: -2.098 local terms energy: -209.944209 where: bonds (distance) C4'-P energy: -74.035 bonds (distance) P-C4' energy: -70.286 flat angles C4'-P-C4' energy: -53.473 flat angles P-C4'-P energy: -32.442 tors. eta vs tors. theta energy: 20.292 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: 353 Temperature: 1.350000 Total energy: -306.998233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.998233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.998233 (E_RNA) where: Base-Base interactions energy: -75.958 where: short stacking energy: -58.006 Base-Backbone interact. energy: 1.320 local terms energy: -232.360306 where: bonds (distance) C4'-P energy: -78.562 bonds (distance) P-C4' energy: -62.329 flat angles C4'-P-C4' energy: -61.924 flat angles P-C4'-P energy: -47.853 tors. eta vs tors. theta energy: 18.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1298.246072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.246072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.246072 (E_RNA) where: Base-Base interactions energy: -874.752 where: short stacking energy: -384.685 Base-Backbone interact. energy: 3.420 local terms energy: -426.914171 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -81.712 flat angles C4'-P-C4' energy: -85.863 flat angles P-C4'-P energy: -57.774 tors. eta vs tors. theta energy: -115.727 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: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1297.611643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.611643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.611643 (E_RNA) where: Base-Base interactions energy: -897.197 where: short stacking energy: -380.809 Base-Backbone interact. energy: 0.347 local terms energy: -400.761862 where: bonds (distance) C4'-P energy: -69.570 bonds (distance) P-C4' energy: -62.720 flat angles C4'-P-C4' energy: -86.950 flat angles P-C4'-P energy: -67.434 tors. eta vs tors. theta energy: -114.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1194.663719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.663719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.663719 (E_RNA) where: Base-Base interactions energy: -811.861 where: short stacking energy: -358.760 Base-Backbone interact. energy: -4.265 local terms energy: -378.537931 where: bonds (distance) C4'-P energy: -71.644 bonds (distance) P-C4' energy: -70.789 flat angles C4'-P-C4' energy: -82.585 flat angles P-C4'-P energy: -51.999 tors. eta vs tors. theta energy: -101.521 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: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1125.021851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.021851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.021851 (E_RNA) where: Base-Base interactions energy: -740.977 where: short stacking energy: -315.632 Base-Backbone interact. energy: -0.748 local terms energy: -383.296603 where: bonds (distance) C4'-P energy: -82.345 bonds (distance) P-C4' energy: -78.261 flat angles C4'-P-C4' energy: -81.437 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -88.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1004.119872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.119872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.119872 (E_RNA) where: Base-Base interactions energy: -659.595 where: short stacking energy: -288.373 Base-Backbone interact. energy: -0.929 local terms energy: -343.596373 where: bonds (distance) C4'-P energy: -64.704 bonds (distance) P-C4' energy: -70.313 flat angles C4'-P-C4' energy: -74.448 flat angles P-C4'-P energy: -57.605 tors. eta vs tors. theta energy: -76.525 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: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -843.585481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.585481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.585481 (E_RNA) where: Base-Base interactions energy: -536.991 where: short stacking energy: -264.669 Base-Backbone interact. energy: -0.265 local terms energy: -306.329783 where: bonds (distance) C4'-P energy: -62.230 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -75.334 flat angles P-C4'-P energy: -37.294 tors. eta vs tors. theta energy: -67.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -604.263853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.263853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.263853 (E_RNA) where: Base-Base interactions energy: -345.030 where: short stacking energy: -169.285 Base-Backbone interact. energy: -0.398 local terms energy: -258.835660 where: bonds (distance) C4'-P energy: -65.262 bonds (distance) P-C4' energy: -65.683 flat angles C4'-P-C4' energy: -49.509 flat angles P-C4'-P energy: -42.024 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: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -370.127966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.127966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.127966 (E_RNA) where: Base-Base interactions energy: -137.549 where: short stacking energy: -90.435 Base-Backbone interact. energy: -1.041 local terms energy: -231.537752 where: bonds (distance) C4'-P energy: -65.258 bonds (distance) P-C4' energy: -80.049 flat angles C4'-P-C4' energy: -54.774 flat angles P-C4'-P energy: -38.360 tors. eta vs tors. theta energy: 6.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -372.686979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.686979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.686979 (E_RNA) where: Base-Base interactions energy: -125.097 where: short stacking energy: -91.415 Base-Backbone interact. energy: -1.065 local terms energy: -246.525822 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -74.486 flat angles C4'-P-C4' energy: -69.007 flat angles P-C4'-P energy: -49.695 tors. eta vs tors. theta energy: 4.261 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: 354 Temperature: 1.350000 Total energy: -317.435211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.435211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.435211 (E_RNA) where: Base-Base interactions energy: -124.612 where: short stacking energy: -89.141 Base-Backbone interact. energy: -0.666 local terms energy: -192.157075 where: bonds (distance) C4'-P energy: -54.925 bonds (distance) P-C4' energy: -62.192 flat angles C4'-P-C4' energy: -53.414 flat angles P-C4'-P energy: -35.013 tors. eta vs tors. theta energy: 13.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1306.481412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.481412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.481412 (E_RNA) where: Base-Base interactions energy: -884.785 where: short stacking energy: -389.343 Base-Backbone interact. energy: -2.995 local terms energy: -418.702165 where: bonds (distance) C4'-P energy: -73.050 bonds (distance) P-C4' energy: -86.822 flat angles C4'-P-C4' energy: -86.526 flat angles P-C4'-P energy: -62.670 tors. eta vs tors. theta energy: -109.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1306.713715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.713715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.713715 (E_RNA) where: Base-Base interactions energy: -883.536 where: short stacking energy: -376.416 Base-Backbone interact. energy: 0.764 local terms energy: -423.941483 where: bonds (distance) C4'-P energy: -80.559 bonds (distance) P-C4' energy: -82.852 flat angles C4'-P-C4' energy: -85.236 flat angles P-C4'-P energy: -62.335 tors. eta vs tors. theta energy: -112.961 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: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1226.625523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.625523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.625523 (E_RNA) where: Base-Base interactions energy: -821.367 where: short stacking energy: -394.075 Base-Backbone interact. energy: -2.018 local terms energy: -403.240271 where: bonds (distance) C4'-P energy: -71.296 bonds (distance) P-C4' energy: -72.967 flat angles C4'-P-C4' energy: -86.539 flat angles P-C4'-P energy: -53.691 tors. eta vs tors. theta energy: -118.748 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: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1109.168920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.168920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.168920 (E_RNA) where: Base-Base interactions energy: -735.374 where: short stacking energy: -319.930 Base-Backbone interact. energy: -1.061 local terms energy: -372.734478 where: bonds (distance) C4'-P energy: -79.028 bonds (distance) P-C4' energy: -79.044 flat angles C4'-P-C4' energy: -80.862 flat angles P-C4'-P energy: -50.489 tors. eta vs tors. theta energy: -83.312 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: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1038.841960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.841960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.841960 (E_RNA) where: Base-Base interactions energy: -686.947 where: short stacking energy: -278.250 Base-Backbone interact. energy: 5.821 local terms energy: -357.715548 where: bonds (distance) C4'-P energy: -84.011 bonds (distance) P-C4' energy: -81.615 flat angles C4'-P-C4' energy: -63.108 flat angles P-C4'-P energy: -48.586 tors. eta vs tors. theta energy: -80.395 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: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -822.708973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.708973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.708973 (E_RNA) where: Base-Base interactions energy: -499.372 where: short stacking energy: -232.257 Base-Backbone interact. energy: -2.617 local terms energy: -320.720123 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -71.734 flat angles C4'-P-C4' energy: -70.831 flat angles P-C4'-P energy: -48.954 tors. eta vs tors. theta energy: -61.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -591.940769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.940769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.940769 (E_RNA) where: Base-Base interactions energy: -346.077 where: short stacking energy: -179.566 Base-Backbone interact. energy: 1.475 local terms energy: -247.339307 where: bonds (distance) C4'-P energy: -60.474 bonds (distance) P-C4' energy: -62.672 flat angles C4'-P-C4' energy: -68.374 flat angles P-C4'-P energy: -45.744 tors. eta vs tors. theta energy: -10.074 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: 8, replica: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -342.880696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.880696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.880696 (E_RNA) where: Base-Base interactions energy: -109.282 where: short stacking energy: -97.720 Base-Backbone interact. energy: -1.582 local terms energy: -232.016115 where: bonds (distance) C4'-P energy: -78.484 bonds (distance) P-C4' energy: -68.679 flat angles C4'-P-C4' energy: -59.016 flat angles P-C4'-P energy: -24.274 tors. eta vs tors. theta energy: -1.563 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: 4 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -363.723747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.723747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.723747 (E_RNA) where: Base-Base interactions energy: -116.012 where: short stacking energy: -103.381 Base-Backbone interact. energy: 0.151 local terms energy: -247.861931 where: bonds (distance) C4'-P energy: -70.365 bonds (distance) P-C4' energy: -79.737 flat angles C4'-P-C4' energy: -73.148 flat angles P-C4'-P energy: -28.278 tors. eta vs tors. theta energy: 3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -312.966280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.966280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.966280 (E_RNA) where: Base-Base interactions energy: -113.019 where: short stacking energy: -89.534 Base-Backbone interact. energy: 3.228 local terms energy: -203.175743 where: bonds (distance) C4'-P energy: -48.663 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -45.587 flat angles P-C4'-P energy: -43.375 tors. eta vs tors. theta energy: 4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1345.382323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.382323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.382323 (E_RNA) where: Base-Base interactions energy: -918.511 where: short stacking energy: -407.144 Base-Backbone interact. energy: -1.623 local terms energy: -425.247869 where: bonds (distance) C4'-P energy: -75.514 bonds (distance) P-C4' energy: -82.812 flat angles C4'-P-C4' energy: -96.349 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -117.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1273.480899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.480899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.480899 (E_RNA) where: Base-Base interactions energy: -863.801 where: short stacking energy: -366.468 Base-Backbone interact. energy: -1.733 local terms energy: -407.946880 where: bonds (distance) C4'-P energy: -80.430 bonds (distance) P-C4' energy: -77.808 flat angles C4'-P-C4' energy: -80.247 flat angles P-C4'-P energy: -59.300 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: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1209.678280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.678280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.678280 (E_RNA) where: Base-Base interactions energy: -798.546 where: short stacking energy: -366.785 Base-Backbone interact. energy: -2.185 local terms energy: -408.947229 where: bonds (distance) C4'-P energy: -72.661 bonds (distance) P-C4' energy: -67.745 flat angles C4'-P-C4' energy: -84.527 flat angles P-C4'-P energy: -65.278 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: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1063.740206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.740206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.740206 (E_RNA) where: Base-Base interactions energy: -720.863 where: short stacking energy: -319.204 Base-Backbone interact. energy: -0.014 local terms energy: -342.863255 where: bonds (distance) C4'-P energy: -59.800 bonds (distance) P-C4' energy: -67.615 flat angles C4'-P-C4' energy: -81.107 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: -84.273 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: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1080.447721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.447721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.447721 (E_RNA) where: Base-Base interactions energy: -700.014 where: short stacking energy: -326.273 Base-Backbone interact. energy: -2.422 local terms energy: -378.011872 where: bonds (distance) C4'-P energy: -65.195 bonds (distance) P-C4' energy: -68.847 flat angles C4'-P-C4' energy: -82.099 flat angles P-C4'-P energy: -57.540 tors. eta vs tors. theta energy: -104.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -795.854849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.854849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.854849 (E_RNA) where: Base-Base interactions energy: -473.315 where: short stacking energy: -242.642 Base-Backbone interact. energy: 3.910 local terms energy: -326.449856 where: bonds (distance) C4'-P energy: -74.264 bonds (distance) P-C4' energy: -70.758 flat angles C4'-P-C4' energy: -72.801 flat angles P-C4'-P energy: -54.313 tors. eta vs tors. theta energy: -54.313 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: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -617.761628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.761628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.761628 (E_RNA) where: Base-Base interactions energy: -361.375 where: short stacking energy: -183.627 Base-Backbone interact. energy: -0.980 local terms energy: -255.406586 where: bonds (distance) C4'-P energy: -62.012 bonds (distance) P-C4' energy: -64.698 flat angles C4'-P-C4' energy: -62.189 flat angles P-C4'-P energy: -38.304 tors. eta vs tors. theta energy: -28.203 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: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -392.858809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.858809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.858809 (E_RNA) where: Base-Base interactions energy: -163.385 where: short stacking energy: -104.754 Base-Backbone interact. energy: 1.245 local terms energy: -230.718489 where: bonds (distance) C4'-P energy: -63.928 bonds (distance) P-C4' energy: -72.780 flat angles C4'-P-C4' energy: -51.234 flat angles P-C4'-P energy: -43.947 tors. eta vs tors. theta energy: 1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -371.166460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.166460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.166460 (E_RNA) where: Base-Base interactions energy: -132.868 where: short stacking energy: -89.369 Base-Backbone interact. energy: -3.451 local terms energy: -234.846952 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -65.241 flat angles C4'-P-C4' energy: -62.912 flat angles P-C4'-P energy: -49.032 tors. eta vs tors. theta energy: 5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -309.102813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.102813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.102813 (E_RNA) where: Base-Base interactions energy: -95.669 where: short stacking energy: -81.247 Base-Backbone interact. energy: 0.172 local terms energy: -213.606280 where: bonds (distance) C4'-P energy: -58.058 bonds (distance) P-C4' energy: -65.407 flat angles C4'-P-C4' energy: -64.007 flat angles P-C4'-P energy: -34.633 tors. eta vs tors. theta energy: 8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1331.305316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.305316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.305316 (E_RNA) where: Base-Base interactions energy: -911.967 where: short stacking energy: -375.309 Base-Backbone interact. energy: -2.130 local terms energy: -417.208638 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -77.737 flat angles C4'-P-C4' energy: -93.279 flat angles P-C4'-P energy: -60.642 tors. eta vs tors. theta energy: -108.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1259.801945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.801945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.801945 (E_RNA) where: Base-Base interactions energy: -847.221 where: short stacking energy: -341.545 Base-Backbone interact. energy: 2.322 local terms energy: -414.903697 where: bonds (distance) C4'-P energy: -84.051 bonds (distance) P-C4' energy: -89.328 flat angles C4'-P-C4' energy: -72.889 flat angles P-C4'-P energy: -59.860 tors. eta vs tors. theta energy: -108.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1230.544753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.544753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.544753 (E_RNA) where: Base-Base interactions energy: -806.267 where: short stacking energy: -363.632 Base-Backbone interact. energy: 0.674 local terms energy: -424.952520 where: bonds (distance) C4'-P energy: -78.119 bonds (distance) P-C4' energy: -81.401 flat angles C4'-P-C4' energy: -84.075 flat angles P-C4'-P energy: -65.381 tors. eta vs tors. theta energy: -115.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1073.093012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.093012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.093012 (E_RNA) where: Base-Base interactions energy: -704.436 where: short stacking energy: -279.112 Base-Backbone interact. energy: -3.539 local terms energy: -365.117802 where: bonds (distance) C4'-P energy: -78.659 bonds (distance) P-C4' energy: -75.990 flat angles C4'-P-C4' energy: -72.601 flat angles P-C4'-P energy: -51.883 tors. eta vs tors. theta energy: -85.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1050.788290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.788290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.788290 (E_RNA) where: Base-Base interactions energy: -681.448 where: short stacking energy: -311.638 Base-Backbone interact. energy: -1.008 local terms energy: -368.331881 where: bonds (distance) C4'-P energy: -66.575 bonds (distance) P-C4' energy: -72.613 flat angles C4'-P-C4' energy: -80.820 flat angles P-C4'-P energy: -56.478 tors. eta vs tors. theta energy: -91.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -801.447525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.447525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.447525 (E_RNA) where: Base-Base interactions energy: -497.197 where: short stacking energy: -221.498 Base-Backbone interact. energy: -1.347 local terms energy: -302.903863 where: bonds (distance) C4'-P energy: -59.173 bonds (distance) P-C4' energy: -68.244 flat angles C4'-P-C4' energy: -72.240 flat angles P-C4'-P energy: -46.736 tors. eta vs tors. theta energy: -56.511 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: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -627.133513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.133513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.133513 (E_RNA) where: Base-Base interactions energy: -355.387 where: short stacking energy: -174.495 Base-Backbone interact. energy: 0.278 local terms energy: -272.024066 where: bonds (distance) C4'-P energy: -72.025 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -56.993 flat angles P-C4'-P energy: -38.534 tors. eta vs tors. theta energy: -22.291 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: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -380.711193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.711193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.711193 (E_RNA) where: Base-Base interactions energy: -152.638 where: short stacking energy: -115.821 Base-Backbone interact. energy: 2.027 local terms energy: -230.100626 where: bonds (distance) C4'-P energy: -69.677 bonds (distance) P-C4' energy: -59.543 flat angles C4'-P-C4' energy: -47.367 flat angles P-C4'-P energy: -50.965 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -346.690799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.690799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.690799 (E_RNA) where: Base-Base interactions energy: -129.285 where: short stacking energy: -95.228 Base-Backbone interact. energy: 2.822 local terms energy: -220.228193 where: bonds (distance) C4'-P energy: -57.344 bonds (distance) P-C4' energy: -77.855 flat angles C4'-P-C4' energy: -59.297 flat angles P-C4'-P energy: -28.246 tors. eta vs tors. theta energy: 2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -311.905865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.905865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.905865 (E_RNA) where: Base-Base interactions energy: -86.527 where: short stacking energy: -60.179 Base-Backbone interact. energy: -3.606 local terms energy: -221.772536 where: bonds (distance) C4'-P energy: -70.976 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -67.004 flat angles P-C4'-P energy: -46.016 tors. eta vs tors. theta energy: 22.015 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: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1332.288682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.288682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.288682 (E_RNA) where: Base-Base interactions energy: -907.874 where: short stacking energy: -385.023 Base-Backbone interact. energy: -3.465 local terms energy: -420.950282 where: bonds (distance) C4'-P energy: -75.952 bonds (distance) P-C4' energy: -81.754 flat angles C4'-P-C4' energy: -90.533 flat angles P-C4'-P energy: -60.288 tors. eta vs tors. theta energy: -112.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1277.865560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.865560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.865560 (E_RNA) where: Base-Base interactions energy: -865.197 where: short stacking energy: -375.361 Base-Backbone interact. energy: 0.458 local terms energy: -413.127049 where: bonds (distance) C4'-P energy: -88.529 bonds (distance) P-C4' energy: -77.999 flat angles C4'-P-C4' energy: -75.523 flat angles P-C4'-P energy: -60.861 tors. eta vs tors. theta energy: -110.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1220.879531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.879531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.879531 (E_RNA) where: Base-Base interactions energy: -803.441 where: short stacking energy: -351.545 Base-Backbone interact. energy: 2.116 local terms energy: -419.554271 where: bonds (distance) C4'-P energy: -78.900 bonds (distance) P-C4' energy: -71.925 flat angles C4'-P-C4' energy: -87.594 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -113.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1086.929657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.929657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.929657 (E_RNA) where: Base-Base interactions energy: -719.348 where: short stacking energy: -293.360 Base-Backbone interact. energy: -1.376 local terms energy: -366.205461 where: bonds (distance) C4'-P energy: -69.594 bonds (distance) P-C4' energy: -73.088 flat angles C4'-P-C4' energy: -87.272 flat angles P-C4'-P energy: -50.257 tors. eta vs tors. theta energy: -85.995 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: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1050.515378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.515378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.515378 (E_RNA) where: Base-Base interactions energy: -667.206 where: short stacking energy: -290.682 Base-Backbone interact. energy: 0.236 local terms energy: -383.545963 where: bonds (distance) C4'-P energy: -71.748 bonds (distance) P-C4' energy: -72.508 flat angles C4'-P-C4' energy: -84.105 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -91.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -853.578914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.578914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.578914 (E_RNA) where: Base-Base interactions energy: -538.340 where: short stacking energy: -257.108 Base-Backbone interact. energy: 4.085 local terms energy: -319.324096 where: bonds (distance) C4'-P energy: -56.170 bonds (distance) P-C4' energy: -85.473 flat angles C4'-P-C4' energy: -74.224 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -58.609 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: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -689.268229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.268229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.268229 (E_RNA) where: Base-Base interactions energy: -414.578 where: short stacking energy: -189.061 Base-Backbone interact. energy: -2.054 local terms energy: -272.636717 where: bonds (distance) C4'-P energy: -69.195 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -67.180 flat angles P-C4'-P energy: -40.752 tors. eta vs tors. theta energy: -25.203 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: 8, replica: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -376.985413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.985413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.985413 (E_RNA) where: Base-Base interactions energy: -145.780 where: short stacking energy: -81.937 Base-Backbone interact. energy: -1.534 local terms energy: -229.671148 where: bonds (distance) C4'-P energy: -70.805 bonds (distance) P-C4' energy: -61.188 flat angles C4'-P-C4' energy: -64.926 flat angles P-C4'-P energy: -34.257 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: 9, replica: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -348.418908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.418908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.418908 (E_RNA) where: Base-Base interactions energy: -125.589 where: short stacking energy: -115.375 Base-Backbone interact. energy: -1.122 local terms energy: -221.708374 where: bonds (distance) C4'-P energy: -64.951 bonds (distance) P-C4' energy: -68.461 flat angles C4'-P-C4' energy: -50.635 flat angles P-C4'-P energy: -46.511 tors. eta vs tors. theta energy: 8.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -318.857543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.857543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.857543 (E_RNA) where: Base-Base interactions energy: -130.365 where: short stacking energy: -87.690 Base-Backbone interact. energy: 4.285 local terms energy: -192.777681 where: bonds (distance) C4'-P energy: -72.138 bonds (distance) P-C4' energy: -52.149 flat angles C4'-P-C4' energy: -60.993 flat angles P-C4'-P energy: -29.608 tors. eta vs tors. theta energy: 22.111 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: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1344.517141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.517141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.517141 (E_RNA) where: Base-Base interactions energy: -923.415 where: short stacking energy: -388.861 Base-Backbone interact. energy: -3.197 local terms energy: -417.905225 where: bonds (distance) C4'-P energy: -81.335 bonds (distance) P-C4' energy: -72.453 flat angles C4'-P-C4' energy: -84.711 flat angles P-C4'-P energy: -68.126 tors. eta vs tors. theta energy: -111.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1270.135360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.135360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.135360 (E_RNA) where: Base-Base interactions energy: -870.385 where: short stacking energy: -371.337 Base-Backbone interact. energy: 4.449 local terms energy: -404.200187 where: bonds (distance) C4'-P energy: -72.753 bonds (distance) P-C4' energy: -79.260 flat angles C4'-P-C4' energy: -85.259 flat angles P-C4'-P energy: -60.656 tors. eta vs tors. theta energy: -106.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1191.745290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.745290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.745290 (E_RNA) where: Base-Base interactions energy: -792.823 where: short stacking energy: -329.781 Base-Backbone interact. energy: -2.217 local terms energy: -396.705141 where: bonds (distance) C4'-P energy: -78.367 bonds (distance) P-C4' energy: -74.483 flat angles C4'-P-C4' energy: -78.740 flat angles P-C4'-P energy: -60.475 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: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1078.090278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.090278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.090278 (E_RNA) where: Base-Base interactions energy: -705.366 where: short stacking energy: -302.323 Base-Backbone interact. energy: -1.510 local terms energy: -371.214140 where: bonds (distance) C4'-P energy: -77.063 bonds (distance) P-C4' energy: -73.291 flat angles C4'-P-C4' energy: -86.805 flat angles P-C4'-P energy: -53.843 tors. eta vs tors. theta energy: -80.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1061.529245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.529245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.529245 (E_RNA) where: Base-Base interactions energy: -699.061 where: short stacking energy: -315.028 Base-Backbone interact. energy: 0.561 local terms energy: -363.029609 where: bonds (distance) C4'-P energy: -69.366 bonds (distance) P-C4' energy: -82.877 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -45.781 tors. eta vs tors. theta energy: -91.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -813.693456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.693456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.693456 (E_RNA) where: Base-Base interactions energy: -511.204 where: short stacking energy: -265.533 Base-Backbone interact. energy: -0.028 local terms energy: -302.461598 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -72.812 flat angles C4'-P-C4' energy: -69.099 flat angles P-C4'-P energy: -32.961 tors. eta vs tors. theta energy: -58.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -688.064544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.064544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.064544 (E_RNA) where: Base-Base interactions energy: -437.643 where: short stacking energy: -189.783 Base-Backbone interact. energy: -2.357 local terms energy: -248.064543 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -64.287 flat angles C4'-P-C4' energy: -69.352 flat angles P-C4'-P energy: -35.924 tors. eta vs tors. theta energy: -26.276 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: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -385.707772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.707772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.707772 (E_RNA) where: Base-Base interactions energy: -149.620 where: short stacking energy: -119.901 Base-Backbone interact. energy: 0.965 local terms energy: -237.053326 where: bonds (distance) C4'-P energy: -68.457 bonds (distance) P-C4' energy: -65.992 flat angles C4'-P-C4' energy: -66.701 flat angles P-C4'-P energy: -24.869 tors. eta vs tors. theta energy: -11.034 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: 359 Temperature: 1.300000 Total energy: -338.456339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.456339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.456339 (E_RNA) where: Base-Base interactions energy: -118.803 where: short stacking energy: -84.910 Base-Backbone interact. energy: -0.234 local terms energy: -219.418557 where: bonds (distance) C4'-P energy: -67.229 bonds (distance) P-C4' energy: -74.835 flat angles C4'-P-C4' energy: -55.114 flat angles P-C4'-P energy: -29.628 tors. eta vs tors. theta energy: 7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -331.016761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.016761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.016761 (E_RNA) where: Base-Base interactions energy: -115.915 where: short stacking energy: -98.409 Base-Backbone interact. energy: -1.706 local terms energy: -213.395916 where: bonds (distance) C4'-P energy: -56.005 bonds (distance) P-C4' energy: -61.415 flat angles C4'-P-C4' energy: -53.664 flat angles P-C4'-P energy: -38.288 tors. eta vs tors. theta energy: -4.024 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: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1292.524400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.524400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.524400 (E_RNA) where: Base-Base interactions energy: -882.595 where: short stacking energy: -359.085 Base-Backbone interact. energy: -1.076 local terms energy: -408.853784 where: bonds (distance) C4'-P energy: -73.723 bonds (distance) P-C4' energy: -80.354 flat angles C4'-P-C4' energy: -91.362 flat angles P-C4'-P energy: -60.688 tors. eta vs tors. theta energy: -102.727 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: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1307.406129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.406129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.406129 (E_RNA) where: Base-Base interactions energy: -892.030 where: short stacking energy: -375.061 Base-Backbone interact. energy: 0.592 local terms energy: -415.968519 where: bonds (distance) C4'-P energy: -80.289 bonds (distance) P-C4' energy: -84.183 flat angles C4'-P-C4' energy: -88.753 flat angles P-C4'-P energy: -54.511 tors. eta vs tors. theta energy: -108.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1223.813414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.813414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.813414 (E_RNA) where: Base-Base interactions energy: -809.040 where: short stacking energy: -354.683 Base-Backbone interact. energy: -1.579 local terms energy: -413.194078 where: bonds (distance) C4'-P energy: -65.601 bonds (distance) P-C4' energy: -85.675 flat angles C4'-P-C4' energy: -85.510 flat angles P-C4'-P energy: -62.470 tors. eta vs tors. theta energy: -113.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1100.413719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.413719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.413719 (E_RNA) where: Base-Base interactions energy: -727.999 where: short stacking energy: -309.108 Base-Backbone interact. energy: -2.786 local terms energy: -369.628548 where: bonds (distance) C4'-P energy: -73.698 bonds (distance) P-C4' energy: -82.757 flat angles C4'-P-C4' energy: -74.383 flat angles P-C4'-P energy: -56.083 tors. eta vs tors. theta energy: -82.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1006.829882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.829882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.829882 (E_RNA) where: Base-Base interactions energy: -648.611 where: short stacking energy: -279.869 Base-Backbone interact. energy: 2.976 local terms energy: -361.194623 where: bonds (distance) C4'-P energy: -59.110 bonds (distance) P-C4' energy: -80.311 flat angles C4'-P-C4' energy: -89.182 flat angles P-C4'-P energy: -49.115 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: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -834.292116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.292116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.292116 (E_RNA) where: Base-Base interactions energy: -510.864 where: short stacking energy: -238.843 Base-Backbone interact. energy: -0.718 local terms energy: -322.710214 where: bonds (distance) C4'-P energy: -77.346 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -68.558 flat angles P-C4'-P energy: -47.509 tors. eta vs tors. theta energy: -63.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -762.085014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.085014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.085014 (E_RNA) where: Base-Base interactions energy: -463.782 where: short stacking energy: -206.454 Base-Backbone interact. energy: -0.503 local terms energy: -297.799234 where: bonds (distance) C4'-P energy: -69.868 bonds (distance) P-C4' energy: -74.407 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -32.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -394.390455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.390455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.390455 (E_RNA) where: Base-Base interactions energy: -148.978 where: short stacking energy: -87.091 Base-Backbone interact. energy: -2.452 local terms energy: -242.960836 where: bonds (distance) C4'-P energy: -63.790 bonds (distance) P-C4' energy: -86.470 flat angles C4'-P-C4' energy: -58.288 flat angles P-C4'-P energy: -33.295 tors. eta vs tors. theta energy: -1.118 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: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -339.284844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.284844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.284844 (E_RNA) where: Base-Base interactions energy: -115.544 where: short stacking energy: -80.430 Base-Backbone interact. energy: -1.996 local terms energy: -221.744809 where: bonds (distance) C4'-P energy: -59.275 bonds (distance) P-C4' energy: -69.704 flat angles C4'-P-C4' energy: -64.923 flat angles P-C4'-P energy: -34.050 tors. eta vs tors. theta energy: 6.206 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: 360 Temperature: 1.350000 Total energy: -323.794416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.794416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.794416 (E_RNA) where: Base-Base interactions energy: -120.353 where: short stacking energy: -78.709 Base-Backbone interact. energy: -2.153 local terms energy: -201.288201 where: bonds (distance) C4'-P energy: -62.000 bonds (distance) P-C4' energy: -68.334 flat angles C4'-P-C4' energy: -63.642 flat angles P-C4'-P energy: -25.015 tors. eta vs tors. theta energy: 17.704 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: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1325.169056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.169056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.169056 (E_RNA) where: Base-Base interactions energy: -896.015 where: short stacking energy: -363.287 Base-Backbone interact. energy: 2.587 local terms energy: -431.740212 where: bonds (distance) C4'-P energy: -84.161 bonds (distance) P-C4' energy: -85.664 flat angles C4'-P-C4' energy: -96.330 flat angles P-C4'-P energy: -57.183 tors. eta vs tors. theta energy: -108.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1274.506828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.506828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.506828 (E_RNA) where: Base-Base interactions energy: -864.440 where: short stacking energy: -383.638 Base-Backbone interact. energy: -2.344 local terms energy: -407.722488 where: bonds (distance) C4'-P energy: -80.949 bonds (distance) P-C4' energy: -80.785 flat angles C4'-P-C4' energy: -84.271 flat angles P-C4'-P energy: -51.505 tors. eta vs tors. theta energy: -110.212 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: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1212.080065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.080065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.080065 (E_RNA) where: Base-Base interactions energy: -806.725 where: short stacking energy: -360.339 Base-Backbone interact. energy: -1.356 local terms energy: -403.998938 where: bonds (distance) C4'-P energy: -72.256 bonds (distance) P-C4' energy: -75.805 flat angles C4'-P-C4' energy: -80.625 flat angles P-C4'-P energy: -58.279 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: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1076.432506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.432506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.432506 (E_RNA) where: Base-Base interactions energy: -744.756 where: short stacking energy: -320.032 Base-Backbone interact. energy: 0.496 local terms energy: -332.172359 where: bonds (distance) C4'-P energy: -63.668 bonds (distance) P-C4' energy: -73.375 flat angles C4'-P-C4' energy: -82.241 flat angles P-C4'-P energy: -40.999 tors. eta vs tors. theta energy: -71.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1062.839602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.839602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.839602 (E_RNA) where: Base-Base interactions energy: -679.742 where: short stacking energy: -326.721 Base-Backbone interact. energy: -1.993 local terms energy: -381.105133 where: bonds (distance) C4'-P energy: -71.537 bonds (distance) P-C4' energy: -80.750 flat angles C4'-P-C4' energy: -82.719 flat angles P-C4'-P energy: -60.451 tors. eta vs tors. theta energy: -85.647 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: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -836.813579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.813579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.813579 (E_RNA) where: Base-Base interactions energy: -492.660 where: short stacking energy: -243.942 Base-Backbone interact. energy: -1.022 local terms energy: -343.131066 where: bonds (distance) C4'-P energy: -71.375 bonds (distance) P-C4' energy: -88.939 flat angles C4'-P-C4' energy: -64.838 flat angles P-C4'-P energy: -54.907 tors. eta vs tors. theta energy: -63.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -727.256829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.256829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.256829 (E_RNA) where: Base-Base interactions energy: -438.521 where: short stacking energy: -182.189 Base-Backbone interact. energy: -3.188 local terms energy: -285.548220 where: bonds (distance) C4'-P energy: -62.856 bonds (distance) P-C4' energy: -69.585 flat angles C4'-P-C4' energy: -72.587 flat angles P-C4'-P energy: -31.241 tors. eta vs tors. theta energy: -49.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -373.315533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.315533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.315533 (E_RNA) where: Base-Base interactions energy: -127.237 where: short stacking energy: -96.644 Base-Backbone interact. energy: -0.293 local terms energy: -245.785071 where: bonds (distance) C4'-P energy: -73.369 bonds (distance) P-C4' energy: -78.531 flat angles C4'-P-C4' energy: -69.091 flat angles P-C4'-P energy: -36.561 tors. eta vs tors. theta energy: 11.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -347.796813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.796813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.796813 (E_RNA) where: Base-Base interactions energy: -115.404 where: short stacking energy: -87.076 Base-Backbone interact. energy: 0.419 local terms energy: -232.811973 where: bonds (distance) C4'-P energy: -73.473 bonds (distance) P-C4' energy: -79.538 flat angles C4'-P-C4' energy: -46.565 flat angles P-C4'-P energy: -42.604 tors. eta vs tors. theta energy: 9.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -317.940912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.940912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.940912 (E_RNA) where: Base-Base interactions energy: -107.376 where: short stacking energy: -79.487 Base-Backbone interact. energy: -1.607 local terms energy: -208.957498 where: bonds (distance) C4'-P energy: -71.456 bonds (distance) P-C4' energy: -65.969 flat angles C4'-P-C4' energy: -43.455 flat angles P-C4'-P energy: -33.563 tors. eta vs tors. theta energy: 5.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1326.189003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.189003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.189003 (E_RNA) where: Base-Base interactions energy: -888.388 where: short stacking energy: -374.556 Base-Backbone interact. energy: -3.460 local terms energy: -434.341048 where: bonds (distance) C4'-P energy: -88.362 bonds (distance) P-C4' energy: -80.783 flat angles C4'-P-C4' energy: -93.430 flat angles P-C4'-P energy: -59.612 tors. eta vs tors. theta energy: -112.154 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: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1288.319678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.319678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.319678 (E_RNA) where: Base-Base interactions energy: -874.571 where: short stacking energy: -353.917 Base-Backbone interact. energy: -1.055 local terms energy: -412.693928 where: bonds (distance) C4'-P energy: -69.219 bonds (distance) P-C4' energy: -86.372 flat angles C4'-P-C4' energy: -90.765 flat angles P-C4'-P energy: -66.346 tors. eta vs tors. theta energy: -99.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1218.268198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.268198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.268198 (E_RNA) where: Base-Base interactions energy: -805.944 where: short stacking energy: -354.842 Base-Backbone interact. energy: 1.238 local terms energy: -413.562149 where: bonds (distance) C4'-P energy: -75.910 bonds (distance) P-C4' energy: -77.574 flat angles C4'-P-C4' energy: -88.981 flat angles P-C4'-P energy: -56.208 tors. eta vs tors. theta energy: -114.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1102.503820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.503820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.503820 (E_RNA) where: Base-Base interactions energy: -738.861 where: short stacking energy: -307.082 Base-Backbone interact. energy: -0.895 local terms energy: -362.748221 where: bonds (distance) C4'-P energy: -66.897 bonds (distance) P-C4' energy: -77.193 flat angles C4'-P-C4' energy: -82.016 flat angles P-C4'-P energy: -50.947 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: 5, replica: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1045.718459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.718459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.718459 (E_RNA) where: Base-Base interactions energy: -663.330 where: short stacking energy: -292.115 Base-Backbone interact. energy: -1.197 local terms energy: -381.191914 where: bonds (distance) C4'-P energy: -80.850 bonds (distance) P-C4' energy: -67.751 flat angles C4'-P-C4' energy: -84.624 flat angles P-C4'-P energy: -54.289 tors. eta vs tors. theta energy: -93.677 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: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -846.768040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.768040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.768040 (E_RNA) where: Base-Base interactions energy: -519.206 where: short stacking energy: -230.488 Base-Backbone interact. energy: -5.129 local terms energy: -322.432359 where: bonds (distance) C4'-P energy: -79.219 bonds (distance) P-C4' energy: -73.966 flat angles C4'-P-C4' energy: -72.188 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -51.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -754.797690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.797690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.797690 (E_RNA) where: Base-Base interactions energy: -457.672 where: short stacking energy: -214.629 Base-Backbone interact. energy: -0.917 local terms energy: -296.209537 where: bonds (distance) C4'-P energy: -70.850 bonds (distance) P-C4' energy: -62.433 flat angles C4'-P-C4' energy: -62.594 flat angles P-C4'-P energy: -51.700 tors. eta vs tors. theta energy: -48.632 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: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -369.767490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.767490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.767490 (E_RNA) where: Base-Base interactions energy: -146.377 where: short stacking energy: -102.585 Base-Backbone interact. energy: -1.790 local terms energy: -221.601216 where: bonds (distance) C4'-P energy: -75.775 bonds (distance) P-C4' energy: -64.187 flat angles C4'-P-C4' energy: -48.162 flat angles P-C4'-P energy: -33.065 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -337.410061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.410061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.410061 (E_RNA) where: Base-Base interactions energy: -100.936 where: short stacking energy: -87.578 Base-Backbone interact. energy: -0.824 local terms energy: -235.649827 where: bonds (distance) C4'-P energy: -69.143 bonds (distance) P-C4' energy: -73.943 flat angles C4'-P-C4' energy: -67.743 flat angles P-C4'-P energy: -34.193 tors. eta vs tors. theta energy: 9.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -343.494823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.494823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.494823 (E_RNA) where: Base-Base interactions energy: -148.105 where: short stacking energy: -109.588 Base-Backbone interact. energy: -1.662 local terms energy: -193.727258 where: bonds (distance) C4'-P energy: -53.413 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -42.345 flat angles P-C4'-P energy: -31.104 tors. eta vs tors. theta energy: 1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1334.355311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.355311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.355311 (E_RNA) where: Base-Base interactions energy: -916.087 where: short stacking energy: -375.691 Base-Backbone interact. energy: 0.105 local terms energy: -418.373791 where: bonds (distance) C4'-P energy: -78.683 bonds (distance) P-C4' energy: -87.683 flat angles C4'-P-C4' energy: -85.286 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -108.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1307.414126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.414126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.414126 (E_RNA) where: Base-Base interactions energy: -902.722 where: short stacking energy: -372.316 Base-Backbone interact. energy: 1.817 local terms energy: -406.509298 where: bonds (distance) C4'-P energy: -68.737 bonds (distance) P-C4' energy: -81.735 flat angles C4'-P-C4' energy: -85.150 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -105.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1203.996909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.996909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.996909 (E_RNA) where: Base-Base interactions energy: -789.898 where: short stacking energy: -356.134 Base-Backbone interact. energy: -2.105 local terms energy: -411.994119 where: bonds (distance) C4'-P energy: -82.867 bonds (distance) P-C4' energy: -74.350 flat angles C4'-P-C4' energy: -85.224 flat angles P-C4'-P energy: -60.350 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: 8 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1103.075353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.075353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.075353 (E_RNA) where: Base-Base interactions energy: -754.012 where: short stacking energy: -313.892 Base-Backbone interact. energy: -1.640 local terms energy: -347.423044 where: bonds (distance) C4'-P energy: -65.197 bonds (distance) P-C4' energy: -77.560 flat angles C4'-P-C4' energy: -78.536 flat angles P-C4'-P energy: -39.956 tors. eta vs tors. theta energy: -86.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1019.330544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.330544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.330544 (E_RNA) where: Base-Base interactions energy: -679.398 where: short stacking energy: -304.249 Base-Backbone interact. energy: -0.519 local terms energy: -339.413497 where: bonds (distance) C4'-P energy: -71.588 bonds (distance) P-C4' energy: -62.900 flat angles C4'-P-C4' energy: -73.810 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -83.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -868.137956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.137956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.137956 (E_RNA) where: Base-Base interactions energy: -556.594 where: short stacking energy: -239.420 Base-Backbone interact. energy: 2.396 local terms energy: -313.939972 where: bonds (distance) C4'-P energy: -63.755 bonds (distance) P-C4' energy: -69.263 flat angles C4'-P-C4' energy: -82.602 flat angles P-C4'-P energy: -40.143 tors. eta vs tors. theta energy: -58.177 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: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -723.709086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.709086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.709086 (E_RNA) where: Base-Base interactions energy: -432.105 where: short stacking energy: -207.942 Base-Backbone interact. energy: -1.000 local terms energy: -290.603885 where: bonds (distance) C4'-P energy: -66.892 bonds (distance) P-C4' energy: -68.063 flat angles C4'-P-C4' energy: -69.063 flat angles P-C4'-P energy: -45.854 tors. eta vs tors. theta energy: -40.732 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: 363 Temperature: 1.250000 Total energy: -391.872563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.872563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.872563 (E_RNA) where: Base-Base interactions energy: -137.023 where: short stacking energy: -105.426 Base-Backbone interact. energy: 0.070 local terms energy: -254.919347 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -72.200 flat angles C4'-P-C4' energy: -66.658 flat angles P-C4'-P energy: -36.661 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -349.273474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.273474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.273474 (E_RNA) where: Base-Base interactions energy: -136.645 where: short stacking energy: -86.302 Base-Backbone interact. energy: 0.303 local terms energy: -212.931583 where: bonds (distance) C4'-P energy: -62.871 bonds (distance) P-C4' energy: -70.157 flat angles C4'-P-C4' energy: -58.061 flat angles P-C4'-P energy: -35.212 tors. eta vs tors. theta energy: 13.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -323.761659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.761659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.761659 (E_RNA) where: Base-Base interactions energy: -109.123 where: short stacking energy: -88.880 Base-Backbone interact. energy: 0.775 local terms energy: -215.414001 where: bonds (distance) C4'-P energy: -66.710 bonds (distance) P-C4' energy: -62.492 flat angles C4'-P-C4' energy: -60.999 flat angles P-C4'-P energy: -40.742 tors. eta vs tors. theta energy: 15.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1329.842071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.842071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.842071 (E_RNA) where: Base-Base interactions energy: -914.738 where: short stacking energy: -389.303 Base-Backbone interact. energy: 2.661 local terms energy: -417.765027 where: bonds (distance) C4'-P energy: -78.218 bonds (distance) P-C4' energy: -78.613 flat angles C4'-P-C4' energy: -87.001 flat angles P-C4'-P energy: -64.096 tors. eta vs tors. theta energy: -109.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1283.192857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.192857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.192857 (E_RNA) where: Base-Base interactions energy: -887.735 where: short stacking energy: -360.574 Base-Backbone interact. energy: -0.774 local terms energy: -394.684072 where: bonds (distance) C4'-P energy: -71.641 bonds (distance) P-C4' energy: -78.971 flat angles C4'-P-C4' energy: -84.817 flat angles P-C4'-P energy: -55.769 tors. eta vs tors. theta energy: -103.486 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: 3, replica: 5 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1198.205065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.205065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.205065 (E_RNA) where: Base-Base interactions energy: -779.008 where: short stacking energy: -341.824 Base-Backbone interact. energy: -1.644 local terms energy: -417.553149 where: bonds (distance) C4'-P energy: -75.167 bonds (distance) P-C4' energy: -80.555 flat angles C4'-P-C4' energy: -87.412 flat angles P-C4'-P energy: -64.452 tors. eta vs tors. theta energy: -109.967 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: 8 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1098.976622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.976622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.976622 (E_RNA) where: Base-Base interactions energy: -744.384 where: short stacking energy: -297.756 Base-Backbone interact. energy: -0.319 local terms energy: -354.272792 where: bonds (distance) C4'-P energy: -65.881 bonds (distance) P-C4' energy: -78.068 flat angles C4'-P-C4' energy: -85.638 flat angles P-C4'-P energy: -53.597 tors. eta vs tors. theta energy: -71.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1007.347667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.347667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.347667 (E_RNA) where: Base-Base interactions energy: -675.195 where: short stacking energy: -304.848 Base-Backbone interact. energy: 1.735 local terms energy: -333.887778 where: bonds (distance) C4'-P energy: -74.666 bonds (distance) P-C4' energy: -73.321 flat angles C4'-P-C4' energy: -74.251 flat angles P-C4'-P energy: -35.096 tors. eta vs tors. theta energy: -76.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -875.445121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.445121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.445121 (E_RNA) where: Base-Base interactions energy: -542.457 where: short stacking energy: -243.907 Base-Backbone interact. energy: 0.836 local terms energy: -333.823977 where: bonds (distance) C4'-P energy: -71.120 bonds (distance) P-C4' energy: -76.630 flat angles C4'-P-C4' energy: -81.376 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -52.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -797.825606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.825606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.825606 (E_RNA) where: Base-Base interactions energy: -486.274 where: short stacking energy: -217.016 Base-Backbone interact. energy: -3.916 local terms energy: -307.635800 where: bonds (distance) C4'-P energy: -69.909 bonds (distance) P-C4' energy: -75.729 flat angles C4'-P-C4' energy: -67.391 flat angles P-C4'-P energy: -39.253 tors. eta vs tors. theta energy: -55.354 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: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -376.742113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.742113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.742113 (E_RNA) where: Base-Base interactions energy: -147.254 where: short stacking energy: -118.793 Base-Backbone interact. energy: 2.818 local terms energy: -232.306218 where: bonds (distance) C4'-P energy: -67.172 bonds (distance) P-C4' energy: -69.660 flat angles C4'-P-C4' energy: -68.091 flat angles P-C4'-P energy: -32.008 tors. eta vs tors. theta energy: 4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -368.212037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.212037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.212037 (E_RNA) where: Base-Base interactions energy: -158.057 where: short stacking energy: -109.449 Base-Backbone interact. energy: -1.449 local terms energy: -208.706513 where: bonds (distance) C4'-P energy: -47.376 bonds (distance) P-C4' energy: -71.268 flat angles C4'-P-C4' energy: -54.498 flat angles P-C4'-P energy: -26.858 tors. eta vs tors. theta energy: -8.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -305.282334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.282334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.282334 (E_RNA) where: Base-Base interactions energy: -85.740 where: short stacking energy: -78.355 Base-Backbone interact. energy: 0.099 local terms energy: -219.641318 where: bonds (distance) C4'-P energy: -65.794 bonds (distance) P-C4' energy: -77.110 flat angles C4'-P-C4' energy: -51.807 flat angles P-C4'-P energy: -33.720 tors. eta vs tors. theta energy: 8.790 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: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1358.167903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.167903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.167903 (E_RNA) where: Base-Base interactions energy: -943.758 where: short stacking energy: -395.708 Base-Backbone interact. energy: -0.464 local terms energy: -413.945691 where: bonds (distance) C4'-P energy: -65.162 bonds (distance) P-C4' energy: -77.065 flat angles C4'-P-C4' energy: -88.094 flat angles P-C4'-P energy: -65.867 tors. eta vs tors. theta energy: -117.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1271.306169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.306169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.306169 (E_RNA) where: Base-Base interactions energy: -871.245 where: short stacking energy: -356.976 Base-Backbone interact. energy: -1.196 local terms energy: -398.865827 where: bonds (distance) C4'-P energy: -65.164 bonds (distance) P-C4' energy: -79.720 flat angles C4'-P-C4' energy: -86.681 flat angles P-C4'-P energy: -64.823 tors. eta vs tors. theta energy: -102.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1193.921913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.921913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.921913 (E_RNA) where: Base-Base interactions energy: -777.419 where: short stacking energy: -349.928 Base-Backbone interact. energy: -2.588 local terms energy: -413.914790 where: bonds (distance) C4'-P energy: -78.614 bonds (distance) P-C4' energy: -77.012 flat angles C4'-P-C4' energy: -75.260 flat angles P-C4'-P energy: -70.074 tors. eta vs tors. theta energy: -112.954 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: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1128.933941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.933941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.933941 (E_RNA) where: Base-Base interactions energy: -770.070 where: short stacking energy: -300.205 Base-Backbone interact. energy: 0.473 local terms energy: -359.337232 where: bonds (distance) C4'-P energy: -75.288 bonds (distance) P-C4' energy: -83.103 flat angles C4'-P-C4' energy: -74.911 flat angles P-C4'-P energy: -48.770 tors. eta vs tors. theta energy: -77.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1046.037471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.037471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.037471 (E_RNA) where: Base-Base interactions energy: -677.930 where: short stacking energy: -297.042 Base-Backbone interact. energy: -2.245 local terms energy: -365.862457 where: bonds (distance) C4'-P energy: -78.887 bonds (distance) P-C4' energy: -65.988 flat angles C4'-P-C4' energy: -90.154 flat angles P-C4'-P energy: -54.998 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: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -871.788429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.788429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.788429 (E_RNA) where: Base-Base interactions energy: -570.598 where: short stacking energy: -248.093 Base-Backbone interact. energy: 0.793 local terms energy: -301.982816 where: bonds (distance) C4'-P energy: -61.967 bonds (distance) P-C4' energy: -66.551 flat angles C4'-P-C4' energy: -77.570 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -57.858 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: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -805.615915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.615915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.615915 (E_RNA) where: Base-Base interactions energy: -493.740 where: short stacking energy: -227.616 Base-Backbone interact. energy: -2.656 local terms energy: -309.219008 where: bonds (distance) C4'-P energy: -56.048 bonds (distance) P-C4' energy: -72.659 flat angles C4'-P-C4' energy: -80.591 flat angles P-C4'-P energy: -40.600 tors. eta vs tors. theta energy: -59.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -419.857037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.857037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.857037 (E_RNA) where: Base-Base interactions energy: -182.142 where: short stacking energy: -121.351 Base-Backbone interact. energy: -2.863 local terms energy: -234.852541 where: bonds (distance) C4'-P energy: -62.590 bonds (distance) P-C4' energy: -69.821 flat angles C4'-P-C4' energy: -64.295 flat angles P-C4'-P energy: -44.761 tors. eta vs tors. theta energy: 6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -349.635113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.635113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.635113 (E_RNA) where: Base-Base interactions energy: -136.699 where: short stacking energy: -85.153 Base-Backbone interact. energy: -0.615 local terms energy: -212.321157 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -64.441 flat angles C4'-P-C4' energy: -51.504 flat angles P-C4'-P energy: -32.169 tors. eta vs tors. theta energy: 12.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -312.187603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.187603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.187603 (E_RNA) where: Base-Base interactions energy: -101.338 where: short stacking energy: -85.119 Base-Backbone interact. energy: 4.240 local terms energy: -215.089588 where: bonds (distance) C4'-P energy: -63.838 bonds (distance) P-C4' energy: -77.462 flat angles C4'-P-C4' energy: -47.066 flat angles P-C4'-P energy: -26.609 tors. eta vs tors. theta energy: -0.114 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: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1347.517653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.517653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.517653 (E_RNA) where: Base-Base interactions energy: -925.365 where: short stacking energy: -394.431 Base-Backbone interact. energy: -1.008 local terms energy: -421.144865 where: bonds (distance) C4'-P energy: -66.688 bonds (distance) P-C4' energy: -83.957 flat angles C4'-P-C4' energy: -93.267 flat angles P-C4'-P energy: -65.587 tors. eta vs tors. theta energy: -111.646 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: 2, replica: 6 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1256.983228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.983228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.983228 (E_RNA) where: Base-Base interactions energy: -849.495 where: short stacking energy: -350.499 Base-Backbone interact. energy: -1.390 local terms energy: -406.098994 where: bonds (distance) C4'-P energy: -81.032 bonds (distance) P-C4' energy: -88.325 flat angles C4'-P-C4' energy: -81.306 flat angles P-C4'-P energy: -55.404 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: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1197.199039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.199039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.199039 (E_RNA) where: Base-Base interactions energy: -793.398 where: short stacking energy: -354.032 Base-Backbone interact. energy: -0.957 local terms energy: -402.843728 where: bonds (distance) C4'-P energy: -80.369 bonds (distance) P-C4' energy: -79.878 flat angles C4'-P-C4' energy: -90.910 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: -98.584 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: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1142.710433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.710433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.710433 (E_RNA) where: Base-Base interactions energy: -771.040 where: short stacking energy: -340.315 Base-Backbone interact. energy: -2.189 local terms energy: -369.481095 where: bonds (distance) C4'-P energy: -68.735 bonds (distance) P-C4' energy: -65.505 flat angles C4'-P-C4' energy: -91.332 flat angles P-C4'-P energy: -48.938 tors. eta vs tors. theta energy: -94.971 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: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1026.346084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.346084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.346084 (E_RNA) where: Base-Base interactions energy: -692.992 where: short stacking energy: -307.412 Base-Backbone interact. energy: 5.590 local terms energy: -338.943925 where: bonds (distance) C4'-P energy: -54.485 bonds (distance) P-C4' energy: -69.131 flat angles C4'-P-C4' energy: -70.251 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -96.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -824.980944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.980944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.980944 (E_RNA) where: Base-Base interactions energy: -519.597 where: short stacking energy: -231.441 Base-Backbone interact. energy: 0.411 local terms energy: -305.795162 where: bonds (distance) C4'-P energy: -66.133 bonds (distance) P-C4' energy: -73.655 flat angles C4'-P-C4' energy: -70.462 flat angles P-C4'-P energy: -38.769 tors. eta vs tors. theta energy: -56.776 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: 9 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -793.753782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.753782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.753782 (E_RNA) where: Base-Base interactions energy: -466.055 where: short stacking energy: -219.060 Base-Backbone interact. energy: -0.190 local terms energy: -327.508967 where: bonds (distance) C4'-P energy: -79.443 bonds (distance) P-C4' energy: -78.641 flat angles C4'-P-C4' energy: -74.241 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -57.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -390.427283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.427283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.427283 (E_RNA) where: Base-Base interactions energy: -166.893 where: short stacking energy: -118.266 Base-Backbone interact. energy: -3.857 local terms energy: -219.677268 where: bonds (distance) C4'-P energy: -72.360 bonds (distance) P-C4' energy: -71.983 flat angles C4'-P-C4' energy: -48.234 flat angles P-C4'-P energy: -38.529 tors. eta vs tors. theta energy: 11.428 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: 4 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -351.273792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.273792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.273792 (E_RNA) where: Base-Base interactions energy: -128.375 where: short stacking energy: -104.525 Base-Backbone interact. energy: -2.006 local terms energy: -220.892550 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -70.694 flat angles C4'-P-C4' energy: -61.585 flat angles P-C4'-P energy: -29.779 tors. eta vs tors. theta energy: 1.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -315.493622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.493622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.493622 (E_RNA) where: Base-Base interactions energy: -101.174 where: short stacking energy: -81.435 Base-Backbone interact. energy: -1.375 local terms energy: -212.944805 where: bonds (distance) C4'-P energy: -68.335 bonds (distance) P-C4' energy: -72.155 flat angles C4'-P-C4' energy: -52.770 flat angles P-C4'-P energy: -30.408 tors. eta vs tors. theta energy: 10.724 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: 1, replica: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1341.519041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.519041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.519041 (E_RNA) where: Base-Base interactions energy: -922.748 where: short stacking energy: -386.787 Base-Backbone interact. energy: -2.514 local terms energy: -416.256925 where: bonds (distance) C4'-P energy: -80.364 bonds (distance) P-C4' energy: -77.735 flat angles C4'-P-C4' energy: -89.541 flat angles P-C4'-P energy: -61.289 tors. eta vs tors. theta energy: -107.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1261.784015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.784015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.784015 (E_RNA) where: Base-Base interactions energy: -863.006 where: short stacking energy: -345.480 Base-Backbone interact. energy: -3.735 local terms energy: -395.042884 where: bonds (distance) C4'-P energy: -67.535 bonds (distance) P-C4' energy: -67.769 flat angles C4'-P-C4' energy: -89.839 flat angles P-C4'-P energy: -63.893 tors. eta vs tors. theta energy: -106.008 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: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1176.604052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.604052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.604052 (E_RNA) where: Base-Base interactions energy: -775.644 where: short stacking energy: -332.282 Base-Backbone interact. energy: 0.114 local terms energy: -401.073576 where: bonds (distance) C4'-P energy: -73.234 bonds (distance) P-C4' energy: -86.134 flat angles C4'-P-C4' energy: -82.873 flat angles P-C4'-P energy: -49.006 tors. eta vs tors. theta energy: -109.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1160.394086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.394086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.394086 (E_RNA) where: Base-Base interactions energy: -787.611 where: short stacking energy: -328.676 Base-Backbone interact. energy: -0.321 local terms energy: -372.461405 where: bonds (distance) C4'-P energy: -75.580 bonds (distance) P-C4' energy: -78.020 flat angles C4'-P-C4' energy: -73.379 flat angles P-C4'-P energy: -53.180 tors. eta vs tors. theta energy: -92.302 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: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1051.510689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.510689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.510689 (E_RNA) where: Base-Base interactions energy: -671.855 where: short stacking energy: -296.224 Base-Backbone interact. energy: 0.022 local terms energy: -379.677664 where: bonds (distance) C4'-P energy: -77.686 bonds (distance) P-C4' energy: -73.180 flat angles C4'-P-C4' energy: -75.846 flat angles P-C4'-P energy: -58.746 tors. eta vs tors. theta energy: -94.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -808.099260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.099260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.099260 (E_RNA) where: Base-Base interactions energy: -499.244 where: short stacking energy: -222.938 Base-Backbone interact. energy: 0.567 local terms energy: -309.421649 where: bonds (distance) C4'-P energy: -65.920 bonds (distance) P-C4' energy: -82.369 flat angles C4'-P-C4' energy: -52.637 flat angles P-C4'-P energy: -56.448 tors. eta vs tors. theta energy: -52.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -850.622017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.622017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.622017 (E_RNA) where: Base-Base interactions energy: -554.265 where: short stacking energy: -260.604 Base-Backbone interact. energy: 2.030 local terms energy: -298.387484 where: bonds (distance) C4'-P energy: -79.962 bonds (distance) P-C4' energy: -55.920 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -38.379 tors. eta vs tors. theta energy: -52.726 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: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -417.667530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.667530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.667530 (E_RNA) where: Base-Base interactions energy: -170.340 where: short stacking energy: -117.596 Base-Backbone interact. energy: -3.407 local terms energy: -243.920482 where: bonds (distance) C4'-P energy: -71.755 bonds (distance) P-C4' energy: -78.258 flat angles C4'-P-C4' energy: -66.128 flat angles P-C4'-P energy: -30.396 tors. eta vs tors. theta energy: 2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -325.665855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.665855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.665855 (E_RNA) where: Base-Base interactions energy: -123.793 where: short stacking energy: -84.248 Base-Backbone interact. energy: -1.172 local terms energy: -200.700714 where: bonds (distance) C4'-P energy: -58.970 bonds (distance) P-C4' energy: -70.980 flat angles C4'-P-C4' energy: -47.506 flat angles P-C4'-P energy: -38.136 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: 10, replica: 2 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -329.580295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.580295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.580295 (E_RNA) where: Base-Base interactions energy: -140.074 where: short stacking energy: -98.896 Base-Backbone interact. energy: -3.171 local terms energy: -186.334900 where: bonds (distance) C4'-P energy: -50.206 bonds (distance) P-C4' energy: -66.785 flat angles C4'-P-C4' energy: -53.628 flat angles P-C4'-P energy: -25.717 tors. eta vs tors. theta energy: 10.002 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: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1326.820585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.820585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.820585 (E_RNA) where: Base-Base interactions energy: -913.976 where: short stacking energy: -378.625 Base-Backbone interact. energy: 0.912 local terms energy: -413.755916 where: bonds (distance) C4'-P energy: -81.167 bonds (distance) P-C4' energy: -69.750 flat angles C4'-P-C4' energy: -82.395 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -114.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1274.031593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.031593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.031593 (E_RNA) where: Base-Base interactions energy: -884.829 where: short stacking energy: -375.504 Base-Backbone interact. energy: -1.110 local terms energy: -388.092547 where: bonds (distance) C4'-P energy: -66.126 bonds (distance) P-C4' energy: -66.072 flat angles C4'-P-C4' energy: -94.935 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: -109.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1175.600835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.600835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.600835 (E_RNA) where: Base-Base interactions energy: -781.715 where: short stacking energy: -348.725 Base-Backbone interact. energy: 1.844 local terms energy: -395.729901 where: bonds (distance) C4'-P energy: -79.284 bonds (distance) P-C4' energy: -74.951 flat angles C4'-P-C4' energy: -87.128 flat angles P-C4'-P energy: -48.109 tors. eta vs tors. theta energy: -106.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1110.384687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.384687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.384687 (E_RNA) where: Base-Base interactions energy: -733.222 where: short stacking energy: -323.826 Base-Backbone interact. energy: -0.312 local terms energy: -376.850536 where: bonds (distance) C4'-P energy: -70.908 bonds (distance) P-C4' energy: -67.939 flat angles C4'-P-C4' energy: -78.632 flat angles P-C4'-P energy: -67.306 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: 5, replica: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1031.771927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.771927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.771927 (E_RNA) where: Base-Base interactions energy: -696.484 where: short stacking energy: -273.648 Base-Backbone interact. energy: -0.852 local terms energy: -334.436244 where: bonds (distance) C4'-P energy: -64.961 bonds (distance) P-C4' energy: -67.439 flat angles C4'-P-C4' energy: -75.195 flat angles P-C4'-P energy: -53.419 tors. eta vs tors. theta energy: -73.422 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: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -843.179000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.179000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.179000 (E_RNA) where: Base-Base interactions energy: -530.976 where: short stacking energy: -242.452 Base-Backbone interact. energy: 1.439 local terms energy: -313.642209 where: bonds (distance) C4'-P energy: -73.591 bonds (distance) P-C4' energy: -75.680 flat angles C4'-P-C4' energy: -74.458 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -46.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -874.647660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.647660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.647660 (E_RNA) where: Base-Base interactions energy: -580.481 where: short stacking energy: -266.883 Base-Backbone interact. energy: 0.753 local terms energy: -294.919661 where: bonds (distance) C4'-P energy: -54.877 bonds (distance) P-C4' energy: -60.524 flat angles C4'-P-C4' energy: -66.762 flat angles P-C4'-P energy: -49.685 tors. eta vs tors. theta energy: -63.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -449.729801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.729801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.729801 (E_RNA) where: Base-Base interactions energy: -235.432 where: short stacking energy: -122.103 Base-Backbone interact. energy: 0.458 local terms energy: -214.756330 where: bonds (distance) C4'-P energy: -70.634 bonds (distance) P-C4' energy: -68.673 flat angles C4'-P-C4' energy: -52.380 flat angles P-C4'-P energy: -26.142 tors. eta vs tors. theta energy: 3.073 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: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -363.154681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.154681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.154681 (E_RNA) where: Base-Base interactions energy: -125.109 where: short stacking energy: -102.472 Base-Backbone interact. energy: 0.738 local terms energy: -238.783452 where: bonds (distance) C4'-P energy: -72.693 bonds (distance) P-C4' energy: -67.306 flat angles C4'-P-C4' energy: -56.180 flat angles P-C4'-P energy: -43.939 tors. eta vs tors. theta energy: 1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -299.701050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.701050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.701050 (E_RNA) where: Base-Base interactions energy: -90.112 where: short stacking energy: -79.416 Base-Backbone interact. energy: -1.843 local terms energy: -207.745544 where: bonds (distance) C4'-P energy: -70.580 bonds (distance) P-C4' energy: -59.628 flat angles C4'-P-C4' energy: -57.703 flat angles P-C4'-P energy: -33.681 tors. eta vs tors. theta energy: 13.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1343.389502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.389502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.389502 (E_RNA) where: Base-Base interactions energy: -912.046 where: short stacking energy: -388.673 Base-Backbone interact. energy: -2.344 local terms energy: -428.999497 where: bonds (distance) C4'-P energy: -75.856 bonds (distance) P-C4' energy: -83.699 flat angles C4'-P-C4' energy: -94.482 flat angles P-C4'-P energy: -65.017 tors. eta vs tors. theta energy: -109.945 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: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1265.546275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.546275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.546275 (E_RNA) where: Base-Base interactions energy: -876.727 where: short stacking energy: -374.357 Base-Backbone interact. energy: -1.771 local terms energy: -387.048793 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -73.533 flat angles C4'-P-C4' energy: -79.878 flat angles P-C4'-P energy: -48.535 tors. eta vs tors. theta energy: -103.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1156.076876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.076876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.076876 (E_RNA) where: Base-Base interactions energy: -769.647 where: short stacking energy: -347.943 Base-Backbone interact. energy: -2.027 local terms energy: -384.403328 where: bonds (distance) C4'-P energy: -72.606 bonds (distance) P-C4' energy: -73.411 flat angles C4'-P-C4' energy: -87.168 flat angles P-C4'-P energy: -55.558 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: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1128.654343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.654343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.654343 (E_RNA) where: Base-Base interactions energy: -731.940 where: short stacking energy: -303.957 Base-Backbone interact. energy: -2.260 local terms energy: -394.454821 where: bonds (distance) C4'-P energy: -70.343 bonds (distance) P-C4' energy: -90.938 flat angles C4'-P-C4' energy: -76.129 flat angles P-C4'-P energy: -56.784 tors. eta vs tors. theta energy: -100.261 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: 10 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1032.256959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.256959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.256959 (E_RNA) where: Base-Base interactions energy: -686.452 where: short stacking energy: -300.559 Base-Backbone interact. energy: -2.110 local terms energy: -343.694958 where: bonds (distance) C4'-P energy: -75.364 bonds (distance) P-C4' energy: -68.798 flat angles C4'-P-C4' energy: -81.886 flat angles P-C4'-P energy: -35.821 tors. eta vs tors. theta energy: -81.827 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: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -838.632886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.632886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.632886 (E_RNA) where: Base-Base interactions energy: -529.604 where: short stacking energy: -247.769 Base-Backbone interact. energy: -2.181 local terms energy: -306.848100 where: bonds (distance) C4'-P energy: -60.055 bonds (distance) P-C4' energy: -62.899 flat angles C4'-P-C4' energy: -76.866 flat angles P-C4'-P energy: -42.209 tors. eta vs tors. theta energy: -64.819 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: 9 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -823.383309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.383309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.383309 (E_RNA) where: Base-Base interactions energy: -486.083 where: short stacking energy: -216.224 Base-Backbone interact. energy: -0.397 local terms energy: -336.903388 where: bonds (distance) C4'-P energy: -76.815 bonds (distance) P-C4' energy: -77.179 flat angles C4'-P-C4' energy: -83.597 flat angles P-C4'-P energy: -51.829 tors. eta vs tors. theta energy: -47.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -382.079873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.079873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.079873 (E_RNA) where: Base-Base interactions energy: -175.219 where: short stacking energy: -99.256 Base-Backbone interact. energy: 3.264 local terms energy: -210.125093 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -73.271 flat angles C4'-P-C4' energy: -54.345 flat angles P-C4'-P energy: -28.425 tors. eta vs tors. theta energy: 8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -343.880736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.880736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.880736 (E_RNA) where: Base-Base interactions energy: -115.306 where: short stacking energy: -89.722 Base-Backbone interact. energy: -2.540 local terms energy: -226.034914 where: bonds (distance) C4'-P energy: -56.869 bonds (distance) P-C4' energy: -76.517 flat angles C4'-P-C4' energy: -53.402 flat angles P-C4'-P energy: -36.022 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -331.681968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.681968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.681968 (E_RNA) where: Base-Base interactions energy: -109.224 where: short stacking energy: -90.695 Base-Backbone interact. energy: 0.302 local terms energy: -222.759748 where: bonds (distance) C4'-P energy: -60.701 bonds (distance) P-C4' energy: -78.420 flat angles C4'-P-C4' energy: -62.343 flat angles P-C4'-P energy: -30.038 tors. eta vs tors. theta energy: 8.743 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: 370 Temperature: 0.900000 Total energy: -1344.656160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.656160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.656160 (E_RNA) where: Base-Base interactions energy: -917.247 where: short stacking energy: -393.743 Base-Backbone interact. energy: 1.380 local terms energy: -428.788986 where: bonds (distance) C4'-P energy: -76.320 bonds (distance) P-C4' energy: -85.184 flat angles C4'-P-C4' energy: -90.153 flat angles P-C4'-P energy: -64.813 tors. eta vs tors. theta energy: -112.320 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: 2, replica: 6 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1236.751002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.751002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.751002 (E_RNA) where: Base-Base interactions energy: -839.584 where: short stacking energy: -340.038 Base-Backbone interact. energy: -1.350 local terms energy: -395.817409 where: bonds (distance) C4'-P energy: -70.665 bonds (distance) P-C4' energy: -87.299 flat angles C4'-P-C4' energy: -78.011 flat angles P-C4'-P energy: -55.772 tors. eta vs tors. theta energy: -104.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1161.805494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.805494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.805494 (E_RNA) where: Base-Base interactions energy: -783.307 where: short stacking energy: -347.921 Base-Backbone interact. energy: -1.083 local terms energy: -377.414822 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -77.931 flat angles C4'-P-C4' energy: -83.538 flat angles P-C4'-P energy: -44.988 tors. eta vs tors. theta energy: -98.400 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: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1156.188938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.188938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.188938 (E_RNA) where: Base-Base interactions energy: -767.786 where: short stacking energy: -344.525 Base-Backbone interact. energy: -1.226 local terms energy: -387.176630 where: bonds (distance) C4'-P energy: -69.032 bonds (distance) P-C4' energy: -80.432 flat angles C4'-P-C4' energy: -80.711 flat angles P-C4'-P energy: -59.423 tors. eta vs tors. theta energy: -97.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1009.003260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.003260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.003260 (E_RNA) where: Base-Base interactions energy: -671.975 where: short stacking energy: -300.084 Base-Backbone interact. energy: -0.029 local terms energy: -336.999352 where: bonds (distance) C4'-P energy: -66.376 bonds (distance) P-C4' energy: -68.964 flat angles C4'-P-C4' energy: -75.873 flat angles P-C4'-P energy: -55.502 tors. eta vs tors. theta energy: -70.284 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: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -852.636637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.636637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.636637 (E_RNA) where: Base-Base interactions energy: -531.291 where: short stacking energy: -239.615 Base-Backbone interact. energy: 0.639 local terms energy: -321.984438 where: bonds (distance) C4'-P energy: -66.696 bonds (distance) P-C4' energy: -78.793 flat angles C4'-P-C4' energy: -67.276 flat angles P-C4'-P energy: -46.023 tors. eta vs tors. theta energy: -63.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -823.005356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.005356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.005356 (E_RNA) where: Base-Base interactions energy: -510.550 where: short stacking energy: -226.728 Base-Backbone interact. energy: -0.723 local terms energy: -311.732514 where: bonds (distance) C4'-P energy: -71.746 bonds (distance) P-C4' energy: -73.933 flat angles C4'-P-C4' energy: -77.093 flat angles P-C4'-P energy: -31.759 tors. eta vs tors. theta energy: -57.202 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: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -420.173095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.173095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.173095 (E_RNA) where: Base-Base interactions energy: -165.834 where: short stacking energy: -123.001 Base-Backbone interact. energy: -0.200 local terms energy: -254.138715 where: bonds (distance) C4'-P energy: -66.155 bonds (distance) P-C4' energy: -67.135 flat angles C4'-P-C4' energy: -58.979 flat angles P-C4'-P energy: -49.785 tors. eta vs tors. theta energy: -12.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -316.922357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.922357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.922357 (E_RNA) where: Base-Base interactions energy: -105.094 where: short stacking energy: -91.127 Base-Backbone interact. energy: 7.812 local terms energy: -219.640002 where: bonds (distance) C4'-P energy: -61.879 bonds (distance) P-C4' energy: -79.196 flat angles C4'-P-C4' energy: -57.095 flat angles P-C4'-P energy: -34.605 tors. eta vs tors. theta energy: 13.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -316.828880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.828880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.828880 (E_RNA) where: Base-Base interactions energy: -98.120 where: short stacking energy: -92.458 Base-Backbone interact. energy: 1.012 local terms energy: -219.721251 where: bonds (distance) C4'-P energy: -57.064 bonds (distance) P-C4' energy: -79.397 flat angles C4'-P-C4' energy: -49.062 flat angles P-C4'-P energy: -40.564 tors. eta vs tors. theta energy: 6.366 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: 371 Temperature: 0.900000 Total energy: -1339.098623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.098623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.098623 (E_RNA) where: Base-Base interactions energy: -902.401 where: short stacking energy: -393.400 Base-Backbone interact. energy: -1.945 local terms energy: -434.752215 where: bonds (distance) C4'-P energy: -73.419 bonds (distance) P-C4' energy: -85.285 flat angles C4'-P-C4' energy: -88.233 flat angles P-C4'-P energy: -64.698 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: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1237.250508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.250508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.250508 (E_RNA) where: Base-Base interactions energy: -832.193 where: short stacking energy: -369.000 Base-Backbone interact. energy: -0.791 local terms energy: -404.266673 where: bonds (distance) C4'-P energy: -62.983 bonds (distance) P-C4' energy: -82.293 flat angles C4'-P-C4' energy: -95.396 flat angles P-C4'-P energy: -55.875 tors. eta vs tors. theta energy: -107.719 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: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1186.626109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.626109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.626109 (E_RNA) where: Base-Base interactions energy: -801.880 where: short stacking energy: -366.971 Base-Backbone interact. energy: 1.534 local terms energy: -386.280637 where: bonds (distance) C4'-P energy: -61.950 bonds (distance) P-C4' energy: -83.861 flat angles C4'-P-C4' energy: -83.348 flat angles P-C4'-P energy: -55.517 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: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1103.241399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.241399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.241399 (E_RNA) where: Base-Base interactions energy: -752.280 where: short stacking energy: -335.025 Base-Backbone interact. energy: -3.391 local terms energy: -347.570945 where: bonds (distance) C4'-P energy: -58.560 bonds (distance) P-C4' energy: -71.948 flat angles C4'-P-C4' energy: -76.108 flat angles P-C4'-P energy: -46.929 tors. eta vs tors. theta energy: -94.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1031.473741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.473741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.473741 (E_RNA) where: Base-Base interactions energy: -706.011 where: short stacking energy: -300.464 Base-Backbone interact. energy: 0.194 local terms energy: -325.657135 where: bonds (distance) C4'-P energy: -60.962 bonds (distance) P-C4' energy: -78.443 flat angles C4'-P-C4' energy: -67.459 flat angles P-C4'-P energy: -32.965 tors. eta vs tors. theta energy: -85.827 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: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -885.743301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.743301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.743301 (E_RNA) where: Base-Base interactions energy: -561.696 where: short stacking energy: -246.103 Base-Backbone interact. energy: -0.935 local terms energy: -323.112051 where: bonds (distance) C4'-P energy: -73.857 bonds (distance) P-C4' energy: -62.767 flat angles C4'-P-C4' energy: -75.407 flat angles P-C4'-P energy: -50.042 tors. eta vs tors. theta energy: -61.040 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: 7, replica: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -786.519146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.519146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.519146 (E_RNA) where: Base-Base interactions energy: -509.882 where: short stacking energy: -229.929 Base-Backbone interact. energy: -0.851 local terms energy: -275.786797 where: bonds (distance) C4'-P energy: -62.139 bonds (distance) P-C4' energy: -68.120 flat angles C4'-P-C4' energy: -74.695 flat angles P-C4'-P energy: -23.933 tors. eta vs tors. theta energy: -46.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -361.980929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.980929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.980929 (E_RNA) where: Base-Base interactions energy: -148.056 where: short stacking energy: -122.994 Base-Backbone interact. energy: 1.203 local terms energy: -215.127471 where: bonds (distance) C4'-P energy: -76.018 bonds (distance) P-C4' energy: -66.644 flat angles C4'-P-C4' energy: -64.490 flat angles P-C4'-P energy: -26.987 tors. eta vs tors. theta energy: 19.012 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: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -399.638414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.638414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.638414 (E_RNA) where: Base-Base interactions energy: -167.698 where: short stacking energy: -115.385 Base-Backbone interact. energy: -0.313 local terms energy: -231.627572 where: bonds (distance) C4'-P energy: -67.196 bonds (distance) P-C4' energy: -67.014 flat angles C4'-P-C4' energy: -67.528 flat angles P-C4'-P energy: -34.141 tors. eta vs tors. theta energy: 4.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -336.298617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.298617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.298617 (E_RNA) where: Base-Base interactions energy: -125.136 where: short stacking energy: -102.484 Base-Backbone interact. energy: -2.673 local terms energy: -208.489479 where: bonds (distance) C4'-P energy: -64.063 bonds (distance) P-C4' energy: -70.535 flat angles C4'-P-C4' energy: -50.574 flat angles P-C4'-P energy: -30.939 tors. eta vs tors. theta energy: 7.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1333.356432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.356432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.356432 (E_RNA) where: Base-Base interactions energy: -901.623 where: short stacking energy: -382.907 Base-Backbone interact. energy: -1.654 local terms energy: -430.078954 where: bonds (distance) C4'-P energy: -72.926 bonds (distance) P-C4' energy: -80.593 flat angles C4'-P-C4' energy: -99.633 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -111.685 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: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1221.997657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.997657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.997657 (E_RNA) where: Base-Base interactions energy: -822.140 where: short stacking energy: -370.767 Base-Backbone interact. energy: -2.379 local terms energy: -397.478093 where: bonds (distance) C4'-P energy: -83.870 bonds (distance) P-C4' energy: -72.058 flat angles C4'-P-C4' energy: -83.579 flat angles P-C4'-P energy: -52.439 tors. eta vs tors. theta energy: -105.532 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: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1179.467491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.467491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.467491 (E_RNA) where: Base-Base interactions energy: -769.264 where: short stacking energy: -327.226 Base-Backbone interact. energy: -1.797 local terms energy: -408.406992 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -77.759 flat angles C4'-P-C4' energy: -95.305 flat angles P-C4'-P energy: -61.038 tors. eta vs tors. theta energy: -97.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1153.126370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.126370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.126370 (E_RNA) where: Base-Base interactions energy: -773.999 where: short stacking energy: -371.026 Base-Backbone interact. energy: -2.086 local terms energy: -377.041742 where: bonds (distance) C4'-P energy: -64.277 bonds (distance) P-C4' energy: -68.721 flat angles C4'-P-C4' energy: -79.391 flat angles P-C4'-P energy: -55.784 tors. eta vs tors. theta energy: -108.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1001.197794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.197794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.197794 (E_RNA) where: Base-Base interactions energy: -649.184 where: short stacking energy: -281.789 Base-Backbone interact. energy: -0.996 local terms energy: -351.016979 where: bonds (distance) C4'-P energy: -70.648 bonds (distance) P-C4' energy: -71.619 flat angles C4'-P-C4' energy: -69.558 flat angles P-C4'-P energy: -52.321 tors. eta vs tors. theta energy: -86.871 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: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -872.591867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.591867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.591867 (E_RNA) where: Base-Base interactions energy: -556.611 where: short stacking energy: -255.804 Base-Backbone interact. energy: 3.538 local terms energy: -319.518341 where: bonds (distance) C4'-P energy: -69.595 bonds (distance) P-C4' energy: -77.080 flat angles C4'-P-C4' energy: -80.944 flat angles P-C4'-P energy: -31.377 tors. eta vs tors. theta energy: -60.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -818.762015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.762015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.762015 (E_RNA) where: Base-Base interactions energy: -505.452 where: short stacking energy: -231.624 Base-Backbone interact. energy: 0.338 local terms energy: -313.647702 where: bonds (distance) C4'-P energy: -71.171 bonds (distance) P-C4' energy: -74.315 flat angles C4'-P-C4' energy: -76.419 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -42.038 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: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -376.642433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.642433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.642433 (E_RNA) where: Base-Base interactions energy: -152.067 where: short stacking energy: -113.206 Base-Backbone interact. energy: 2.698 local terms energy: -227.273309 where: bonds (distance) C4'-P energy: -69.576 bonds (distance) P-C4' energy: -72.509 flat angles C4'-P-C4' energy: -56.139 flat angles P-C4'-P energy: -40.200 tors. eta vs tors. theta energy: 11.151 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: 4 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -399.521708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.521708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.521708 (E_RNA) where: Base-Base interactions energy: -154.818 where: short stacking energy: -113.045 Base-Backbone interact. energy: 0.030 local terms energy: -244.733908 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -61.342 flat angles C4'-P-C4' energy: -71.723 flat angles P-C4'-P energy: -44.399 tors. eta vs tors. theta energy: 2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -373.083762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.083762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.083762 (E_RNA) where: Base-Base interactions energy: -149.925 where: short stacking energy: -89.006 Base-Backbone interact. energy: -1.856 local terms energy: -221.303684 where: bonds (distance) C4'-P energy: -60.015 bonds (distance) P-C4' energy: -65.059 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -37.107 tors. eta vs tors. theta energy: 10.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1357.018630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.018630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.018630 (E_RNA) where: Base-Base interactions energy: -929.189 where: short stacking energy: -402.004 Base-Backbone interact. energy: -0.572 local terms energy: -427.257599 where: bonds (distance) C4'-P energy: -79.950 bonds (distance) P-C4' energy: -81.900 flat angles C4'-P-C4' energy: -88.825 flat angles P-C4'-P energy: -61.139 tors. eta vs tors. theta energy: -115.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1200.126255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.126255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.126255 (E_RNA) where: Base-Base interactions energy: -809.711 where: short stacking energy: -341.959 Base-Backbone interact. energy: -1.859 local terms energy: -388.556696 where: bonds (distance) C4'-P energy: -71.447 bonds (distance) P-C4' energy: -71.867 flat angles C4'-P-C4' energy: -91.171 flat angles P-C4'-P energy: -60.496 tors. eta vs tors. theta energy: -93.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1175.836116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.836116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.836116 (E_RNA) where: Base-Base interactions energy: -798.692 where: short stacking energy: -336.219 Base-Backbone interact. energy: 0.885 local terms energy: -378.028942 where: bonds (distance) C4'-P energy: -79.494 bonds (distance) P-C4' energy: -71.514 flat angles C4'-P-C4' energy: -76.963 flat angles P-C4'-P energy: -58.140 tors. eta vs tors. theta energy: -91.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1097.323994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.323994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.323994 (E_RNA) where: Base-Base interactions energy: -717.388 where: short stacking energy: -312.646 Base-Backbone interact. energy: -2.222 local terms energy: -377.714695 where: bonds (distance) C4'-P energy: -65.131 bonds (distance) P-C4' energy: -89.545 flat angles C4'-P-C4' energy: -74.289 flat angles P-C4'-P energy: -52.488 tors. eta vs tors. theta energy: -96.262 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: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1016.398285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.398285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.398285 (E_RNA) where: Base-Base interactions energy: -646.516 where: short stacking energy: -296.799 Base-Backbone interact. energy: -0.338 local terms energy: -369.543724 where: bonds (distance) C4'-P energy: -80.712 bonds (distance) P-C4' energy: -69.232 flat angles C4'-P-C4' energy: -77.783 flat angles P-C4'-P energy: -57.163 tors. eta vs tors. theta energy: -84.654 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: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -888.703361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.703361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.703361 (E_RNA) where: Base-Base interactions energy: -560.587 where: short stacking energy: -245.025 Base-Backbone interact. energy: 0.850 local terms energy: -328.967295 where: bonds (distance) C4'-P energy: -74.203 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -51.261 tors. eta vs tors. theta energy: -66.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -800.634646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.634646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.634646 (E_RNA) where: Base-Base interactions energy: -527.420 where: short stacking energy: -252.500 Base-Backbone interact. energy: 2.281 local terms energy: -275.494996 where: bonds (distance) C4'-P energy: -57.822 bonds (distance) P-C4' energy: -45.322 flat angles C4'-P-C4' energy: -73.497 flat angles P-C4'-P energy: -43.428 tors. eta vs tors. theta energy: -55.426 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: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -417.663799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.663799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.663799 (E_RNA) where: Base-Base interactions energy: -174.918 where: short stacking energy: -125.992 Base-Backbone interact. energy: -2.086 local terms energy: -240.659426 where: bonds (distance) C4'-P energy: -71.087 bonds (distance) P-C4' energy: -76.808 flat angles C4'-P-C4' energy: -57.434 flat angles P-C4'-P energy: -29.534 tors. eta vs tors. theta energy: -5.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -388.350357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.350357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.350357 (E_RNA) where: Base-Base interactions energy: -146.878 where: short stacking energy: -122.741 Base-Backbone interact. energy: 3.134 local terms energy: -244.605932 where: bonds (distance) C4'-P energy: -68.109 bonds (distance) P-C4' energy: -69.111 flat angles C4'-P-C4' energy: -59.895 flat angles P-C4'-P energy: -44.710 tors. eta vs tors. theta energy: -2.781 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: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -343.838482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.838482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.838482 (E_RNA) where: Base-Base interactions energy: -118.545 where: short stacking energy: -101.370 Base-Backbone interact. energy: 1.489 local terms energy: -226.782427 where: bonds (distance) C4'-P energy: -60.278 bonds (distance) P-C4' energy: -74.095 flat angles C4'-P-C4' energy: -61.612 flat angles P-C4'-P energy: -36.387 tors. eta vs tors. theta energy: 5.589 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: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1347.364504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.364504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.364504 (E_RNA) where: Base-Base interactions energy: -907.824 where: short stacking energy: -399.295 Base-Backbone interact. energy: -2.726 local terms energy: -436.813981 where: bonds (distance) C4'-P energy: -80.139 bonds (distance) P-C4' energy: -86.433 flat angles C4'-P-C4' energy: -80.299 flat angles P-C4'-P energy: -66.100 tors. eta vs tors. theta energy: -123.843 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: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1201.606245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.606245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.606245 (E_RNA) where: Base-Base interactions energy: -812.162 where: short stacking energy: -367.296 Base-Backbone interact. energy: -0.413 local terms energy: -389.031539 where: bonds (distance) C4'-P energy: -70.479 bonds (distance) P-C4' energy: -68.712 flat angles C4'-P-C4' energy: -90.327 flat angles P-C4'-P energy: -59.217 tors. eta vs tors. theta energy: -100.297 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: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1174.805896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.805896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.805896 (E_RNA) where: Base-Base interactions energy: -795.494 where: short stacking energy: -348.733 Base-Backbone interact. energy: 2.850 local terms energy: -382.162089 where: bonds (distance) C4'-P energy: -78.210 bonds (distance) P-C4' energy: -65.323 flat angles C4'-P-C4' energy: -80.922 flat angles P-C4'-P energy: -56.618 tors. eta vs tors. theta energy: -101.090 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: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1126.007811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.007811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.007811 (E_RNA) where: Base-Base interactions energy: -732.098 where: short stacking energy: -325.676 Base-Backbone interact. energy: -4.423 local terms energy: -389.486430 where: bonds (distance) C4'-P energy: -66.287 bonds (distance) P-C4' energy: -87.488 flat angles C4'-P-C4' energy: -80.601 flat angles P-C4'-P energy: -57.184 tors. eta vs tors. theta energy: -97.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1084.079518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.079518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.079518 (E_RNA) where: Base-Base interactions energy: -712.216 where: short stacking energy: -318.015 Base-Backbone interact. energy: 2.062 local terms energy: -373.925386 where: bonds (distance) C4'-P energy: -80.317 bonds (distance) P-C4' energy: -74.556 flat angles C4'-P-C4' energy: -70.654 flat angles P-C4'-P energy: -59.712 tors. eta vs tors. theta energy: -88.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -852.909634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.909634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.909634 (E_RNA) where: Base-Base interactions energy: -545.378 where: short stacking energy: -243.688 Base-Backbone interact. energy: -1.779 local terms energy: -305.752879 where: bonds (distance) C4'-P energy: -46.692 bonds (distance) P-C4' energy: -76.163 flat angles C4'-P-C4' energy: -72.184 flat angles P-C4'-P energy: -51.061 tors. eta vs tors. theta energy: -59.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -763.440421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.440421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.440421 (E_RNA) where: Base-Base interactions energy: -464.974 where: short stacking energy: -215.397 Base-Backbone interact. energy: -1.942 local terms energy: -296.524268 where: bonds (distance) C4'-P energy: -52.364 bonds (distance) P-C4' energy: -82.107 flat angles C4'-P-C4' energy: -53.970 flat angles P-C4'-P energy: -57.279 tors. eta vs tors. theta energy: -50.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -404.014896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.014896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.014896 (E_RNA) where: Base-Base interactions energy: -158.590 where: short stacking energy: -106.536 Base-Backbone interact. energy: 0.867 local terms energy: -246.291944 where: bonds (distance) C4'-P energy: -73.361 bonds (distance) P-C4' energy: -80.404 flat angles C4'-P-C4' energy: -50.160 flat angles P-C4'-P energy: -35.479 tors. eta vs tors. theta energy: -6.888 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: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -347.463258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.463258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.463258 (E_RNA) where: Base-Base interactions energy: -119.920 where: short stacking energy: -90.554 Base-Backbone interact. energy: 4.543 local terms energy: -232.086859 where: bonds (distance) C4'-P energy: -63.460 bonds (distance) P-C4' energy: -77.715 flat angles C4'-P-C4' energy: -55.815 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: 8.698 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: 374 Temperature: 1.350000 Total energy: -323.025155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.025155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.025155 (E_RNA) where: Base-Base interactions energy: -133.513 where: short stacking energy: -106.805 Base-Backbone interact. energy: -0.752 local terms energy: -188.760214 where: bonds (distance) C4'-P energy: -52.022 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -54.837 flat angles P-C4'-P energy: -40.892 tors. eta vs tors. theta energy: 24.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1364.525309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.525309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.525309 (E_RNA) where: Base-Base interactions energy: -942.436 where: short stacking energy: -409.654 Base-Backbone interact. energy: -0.072 local terms energy: -422.017542 where: bonds (distance) C4'-P energy: -83.245 bonds (distance) P-C4' energy: -78.855 flat angles C4'-P-C4' energy: -80.546 flat angles P-C4'-P energy: -53.391 tors. eta vs tors. theta energy: -125.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1222.295200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.295200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.295200 (E_RNA) where: Base-Base interactions energy: -825.010 where: short stacking energy: -347.432 Base-Backbone interact. energy: -0.709 local terms energy: -396.576431 where: bonds (distance) C4'-P energy: -70.340 bonds (distance) P-C4' energy: -81.896 flat angles C4'-P-C4' energy: -81.447 flat angles P-C4'-P energy: -53.179 tors. eta vs tors. theta energy: -109.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1147.238887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.238887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.238887 (E_RNA) where: Base-Base interactions energy: -746.156 where: short stacking energy: -333.862 Base-Backbone interact. energy: -0.087 local terms energy: -400.996121 where: bonds (distance) C4'-P energy: -74.446 bonds (distance) P-C4' energy: -82.856 flat angles C4'-P-C4' energy: -81.414 flat angles P-C4'-P energy: -63.759 tors. eta vs tors. theta energy: -98.521 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: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1157.891193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.891193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.891193 (E_RNA) where: Base-Base interactions energy: -774.877 where: short stacking energy: -353.036 Base-Backbone interact. energy: -3.120 local terms energy: -379.894037 where: bonds (distance) C4'-P energy: -67.576 bonds (distance) P-C4' energy: -75.835 flat angles C4'-P-C4' energy: -86.347 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -99.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1015.615356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.615356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.615356 (E_RNA) where: Base-Base interactions energy: -636.130 where: short stacking energy: -285.989 Base-Backbone interact. energy: 0.619 local terms energy: -380.104348 where: bonds (distance) C4'-P energy: -68.654 bonds (distance) P-C4' energy: -76.835 flat angles C4'-P-C4' energy: -83.048 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -91.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -920.718917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.718917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.718917 (E_RNA) where: Base-Base interactions energy: -580.551 where: short stacking energy: -291.534 Base-Backbone interact. energy: 3.544 local terms energy: -343.712535 where: bonds (distance) C4'-P energy: -71.906 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -78.605 flat angles P-C4'-P energy: -49.366 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: 7, replica: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -709.482153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.482153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.482153 (E_RNA) where: Base-Base interactions energy: -411.052 where: short stacking energy: -203.797 Base-Backbone interact. energy: -1.876 local terms energy: -296.554413 where: bonds (distance) C4'-P energy: -73.587 bonds (distance) P-C4' energy: -64.547 flat angles C4'-P-C4' energy: -70.601 flat angles P-C4'-P energy: -52.768 tors. eta vs tors. theta energy: -35.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -382.949740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.949740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.949740 (E_RNA) where: Base-Base interactions energy: -166.693 where: short stacking energy: -101.828 Base-Backbone interact. energy: 0.491 local terms energy: -216.747909 where: bonds (distance) C4'-P energy: -60.657 bonds (distance) P-C4' energy: -60.836 flat angles C4'-P-C4' energy: -62.908 flat angles P-C4'-P energy: -33.848 tors. eta vs tors. theta energy: 1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -350.409678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.409678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.409678 (E_RNA) where: Base-Base interactions energy: -103.312 where: short stacking energy: -89.256 Base-Backbone interact. energy: 0.172 local terms energy: -247.269761 where: bonds (distance) C4'-P energy: -72.379 bonds (distance) P-C4' energy: -73.554 flat angles C4'-P-C4' energy: -58.976 flat angles P-C4'-P energy: -42.109 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -303.621723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.621723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.621723 (E_RNA) where: Base-Base interactions energy: -118.304 where: short stacking energy: -82.314 Base-Backbone interact. energy: -0.996 local terms energy: -184.322029 where: bonds (distance) C4'-P energy: -60.320 bonds (distance) P-C4' energy: -77.932 flat angles C4'-P-C4' energy: -38.393 flat angles P-C4'-P energy: -19.603 tors. eta vs tors. theta energy: 11.926 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: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1315.316910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.316910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.316910 (E_RNA) where: Base-Base interactions energy: -897.172 where: short stacking energy: -371.438 Base-Backbone interact. energy: -1.662 local terms energy: -416.483319 where: bonds (distance) C4'-P energy: -82.189 bonds (distance) P-C4' energy: -78.232 flat angles C4'-P-C4' energy: -88.620 flat angles P-C4'-P energy: -66.869 tors. eta vs tors. theta energy: -100.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1227.322315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.322315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.322315 (E_RNA) where: Base-Base interactions energy: -808.199 where: short stacking energy: -369.646 Base-Backbone interact. energy: -1.054 local terms energy: -418.068683 where: bonds (distance) C4'-P energy: -79.562 bonds (distance) P-C4' energy: -82.863 flat angles C4'-P-C4' energy: -86.107 flat angles P-C4'-P energy: -58.875 tors. eta vs tors. theta energy: -110.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1164.812119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.812119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.812119 (E_RNA) where: Base-Base interactions energy: -764.735 where: short stacking energy: -327.718 Base-Backbone interact. energy: -1.209 local terms energy: -398.868279 where: bonds (distance) C4'-P energy: -79.277 bonds (distance) P-C4' energy: -91.340 flat angles C4'-P-C4' energy: -74.671 flat angles P-C4'-P energy: -51.291 tors. eta vs tors. theta energy: -102.289 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: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1143.575276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.575276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.575276 (E_RNA) where: Base-Base interactions energy: -756.872 where: short stacking energy: -338.026 Base-Backbone interact. energy: 0.233 local terms energy: -386.936325 where: bonds (distance) C4'-P energy: -73.722 bonds (distance) P-C4' energy: -77.810 flat angles C4'-P-C4' energy: -85.120 flat angles P-C4'-P energy: -43.737 tors. eta vs tors. theta energy: -106.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1070.819950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.819950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.819950 (E_RNA) where: Base-Base interactions energy: -714.594 where: short stacking energy: -329.404 Base-Backbone interact. energy: 2.090 local terms energy: -358.315632 where: bonds (distance) C4'-P energy: -59.329 bonds (distance) P-C4' energy: -80.356 flat angles C4'-P-C4' energy: -69.317 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -94.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -938.114681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.114681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.114681 (E_RNA) where: Base-Base interactions energy: -593.564 where: short stacking energy: -282.546 Base-Backbone interact. energy: -1.889 local terms energy: -342.661756 where: bonds (distance) C4'-P energy: -68.307 bonds (distance) P-C4' energy: -69.714 flat angles C4'-P-C4' energy: -81.687 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: -78.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -779.276352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.276352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.276352 (E_RNA) where: Base-Base interactions energy: -462.832 where: short stacking energy: -213.188 Base-Backbone interact. energy: 3.293 local terms energy: -319.737475 where: bonds (distance) C4'-P energy: -77.227 bonds (distance) P-C4' energy: -75.511 flat angles C4'-P-C4' energy: -73.632 flat angles P-C4'-P energy: -44.748 tors. eta vs tors. theta energy: -48.620 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: 376 Temperature: 1.250000 Total energy: -384.581120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.581120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.581120 (E_RNA) where: Base-Base interactions energy: -169.967 where: short stacking energy: -117.753 Base-Backbone interact. energy: -2.181 local terms energy: -212.432959 where: bonds (distance) C4'-P energy: -67.014 bonds (distance) P-C4' energy: -72.440 flat angles C4'-P-C4' energy: -58.530 flat angles P-C4'-P energy: -15.483 tors. eta vs tors. theta energy: 1.034 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: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -350.098459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.098459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.098459 (E_RNA) where: Base-Base interactions energy: -114.887 where: short stacking energy: -97.492 Base-Backbone interact. energy: -0.993 local terms energy: -234.218415 where: bonds (distance) C4'-P energy: -68.203 bonds (distance) P-C4' energy: -62.366 flat angles C4'-P-C4' energy: -61.275 flat angles P-C4'-P energy: -45.398 tors. eta vs tors. theta energy: 3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -336.139119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.139119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.139119 (E_RNA) where: Base-Base interactions energy: -125.694 where: short stacking energy: -105.832 Base-Backbone interact. energy: -0.321 local terms energy: -210.124351 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -66.119 flat angles C4'-P-C4' energy: -58.046 flat angles P-C4'-P energy: -22.780 tors. eta vs tors. theta energy: 7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1366.311829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.311829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.311829 (E_RNA) where: Base-Base interactions energy: -926.122 where: short stacking energy: -395.565 Base-Backbone interact. energy: 0.181 local terms energy: -440.370286 where: bonds (distance) C4'-P energy: -78.073 bonds (distance) P-C4' energy: -84.345 flat angles C4'-P-C4' energy: -96.295 flat angles P-C4'-P energy: -66.942 tors. eta vs tors. theta energy: -114.715 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: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1250.200506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.200506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.200506 (E_RNA) where: Base-Base interactions energy: -842.116 where: short stacking energy: -389.823 Base-Backbone interact. energy: -1.581 local terms energy: -406.503526 where: bonds (distance) C4'-P energy: -75.282 bonds (distance) P-C4' energy: -75.034 flat angles C4'-P-C4' energy: -83.638 flat angles P-C4'-P energy: -65.298 tors. eta vs tors. theta energy: -107.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1193.273573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.273573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.273573 (E_RNA) where: Base-Base interactions energy: -806.819 where: short stacking energy: -356.229 Base-Backbone interact. energy: -1.472 local terms energy: -384.982911 where: bonds (distance) C4'-P energy: -75.248 bonds (distance) P-C4' energy: -73.870 flat angles C4'-P-C4' energy: -72.284 flat angles P-C4'-P energy: -59.665 tors. eta vs tors. theta energy: -103.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1155.015341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.015341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.015341 (E_RNA) where: Base-Base interactions energy: -756.880 where: short stacking energy: -362.101 Base-Backbone interact. energy: 0.364 local terms energy: -398.498424 where: bonds (distance) C4'-P energy: -76.475 bonds (distance) P-C4' energy: -80.081 flat angles C4'-P-C4' energy: -73.744 flat angles P-C4'-P energy: -52.308 tors. eta vs tors. theta energy: -115.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1075.662761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.662761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.662761 (E_RNA) where: Base-Base interactions energy: -704.438 where: short stacking energy: -316.866 Base-Backbone interact. energy: 0.393 local terms energy: -371.618287 where: bonds (distance) C4'-P energy: -77.933 bonds (distance) P-C4' energy: -61.589 flat angles C4'-P-C4' energy: -80.475 flat angles P-C4'-P energy: -55.521 tors. eta vs tors. theta energy: -96.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -900.441039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.441039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.441039 (E_RNA) where: Base-Base interactions energy: -565.576 where: short stacking energy: -246.459 Base-Backbone interact. energy: -1.132 local terms energy: -333.733339 where: bonds (distance) C4'-P energy: -69.717 bonds (distance) P-C4' energy: -73.936 flat angles C4'-P-C4' energy: -77.483 flat angles P-C4'-P energy: -49.083 tors. eta vs tors. theta energy: -63.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -774.267415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.267415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.267415 (E_RNA) where: Base-Base interactions energy: -480.261 where: short stacking energy: -218.481 Base-Backbone interact. energy: -1.652 local terms energy: -292.354805 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -65.635 flat angles C4'-P-C4' energy: -78.804 flat angles P-C4'-P energy: -48.437 tors. eta vs tors. theta energy: -41.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -367.428446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.428446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.428446 (E_RNA) where: Base-Base interactions energy: -139.093 where: short stacking energy: -101.023 Base-Backbone interact. energy: 3.302 local terms energy: -231.637605 where: bonds (distance) C4'-P energy: -73.929 bonds (distance) P-C4' energy: -73.472 flat angles C4'-P-C4' energy: -60.628 flat angles P-C4'-P energy: -52.470 tors. eta vs tors. theta energy: 28.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -345.783656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.783656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.783656 (E_RNA) where: Base-Base interactions energy: -132.101 where: short stacking energy: -104.685 Base-Backbone interact. energy: -0.345 local terms energy: -213.337982 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -55.469 flat angles P-C4'-P energy: -27.680 tors. eta vs tors. theta energy: 4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -302.884811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.884811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.884811 (E_RNA) where: Base-Base interactions energy: -111.409 where: short stacking energy: -79.015 Base-Backbone interact. energy: 1.811 local terms energy: -193.287165 where: bonds (distance) C4'-P energy: -62.546 bonds (distance) P-C4' energy: -61.310 flat angles C4'-P-C4' energy: -50.766 flat angles P-C4'-P energy: -33.397 tors. eta vs tors. theta energy: 14.732 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: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1341.730696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.730696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.730696 (E_RNA) where: Base-Base interactions energy: -920.275 where: short stacking energy: -392.158 Base-Backbone interact. energy: -2.644 local terms energy: -418.812509 where: bonds (distance) C4'-P energy: -80.578 bonds (distance) P-C4' energy: -76.067 flat angles C4'-P-C4' energy: -80.473 flat angles P-C4'-P energy: -57.457 tors. eta vs tors. theta energy: -124.238 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: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1257.349249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.349249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.349249 (E_RNA) where: Base-Base interactions energy: -845.414 where: short stacking energy: -399.927 Base-Backbone interact. energy: -1.822 local terms energy: -410.113270 where: bonds (distance) C4'-P energy: -80.627 bonds (distance) P-C4' energy: -71.281 flat angles C4'-P-C4' energy: -83.691 flat angles P-C4'-P energy: -56.951 tors. eta vs tors. theta energy: -117.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1203.343947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.343947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.343947 (E_RNA) where: Base-Base interactions energy: -798.767 where: short stacking energy: -357.261 Base-Backbone interact. energy: -0.212 local terms energy: -404.365076 where: bonds (distance) C4'-P energy: -66.179 bonds (distance) P-C4' energy: -83.581 flat angles C4'-P-C4' energy: -82.578 flat angles P-C4'-P energy: -64.761 tors. eta vs tors. theta energy: -107.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1159.400169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.400169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.400169 (E_RNA) where: Base-Base interactions energy: -770.861 where: short stacking energy: -331.526 Base-Backbone interact. energy: -1.060 local terms energy: -387.479205 where: bonds (distance) C4'-P energy: -71.552 bonds (distance) P-C4' energy: -77.465 flat angles C4'-P-C4' energy: -80.531 flat angles P-C4'-P energy: -47.669 tors. eta vs tors. theta energy: -110.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1068.244650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.244650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.244650 (E_RNA) where: Base-Base interactions energy: -707.046 where: short stacking energy: -327.398 Base-Backbone interact. energy: 0.959 local terms energy: -362.157803 where: bonds (distance) C4'-P energy: -63.034 bonds (distance) P-C4' energy: -73.806 flat angles C4'-P-C4' energy: -77.962 flat angles P-C4'-P energy: -60.458 tors. eta vs tors. theta energy: -86.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -890.790247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.790247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.790247 (E_RNA) where: Base-Base interactions energy: -560.327 where: short stacking energy: -251.646 Base-Backbone interact. energy: -1.776 local terms energy: -328.686992 where: bonds (distance) C4'-P energy: -65.323 bonds (distance) P-C4' energy: -68.851 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -52.537 tors. eta vs tors. theta energy: -67.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -732.486447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.486447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.486447 (E_RNA) where: Base-Base interactions energy: -440.942 where: short stacking energy: -210.904 Base-Backbone interact. energy: -0.366 local terms energy: -291.178263 where: bonds (distance) C4'-P energy: -68.622 bonds (distance) P-C4' energy: -68.566 flat angles C4'-P-C4' energy: -80.824 flat angles P-C4'-P energy: -34.046 tors. eta vs tors. theta energy: -39.119 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: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -376.296225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.296225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.296225 (E_RNA) where: Base-Base interactions energy: -154.849 where: short stacking energy: -116.205 Base-Backbone interact. energy: 0.194 local terms energy: -221.641337 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -63.588 flat angles C4'-P-C4' energy: -63.259 flat angles P-C4'-P energy: -44.666 tors. eta vs tors. theta energy: 7.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -339.536310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.536310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.536310 (E_RNA) where: Base-Base interactions energy: -121.750 where: short stacking energy: -113.949 Base-Backbone interact. energy: 2.847 local terms energy: -220.633332 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -68.671 flat angles C4'-P-C4' energy: -56.004 flat angles P-C4'-P energy: -30.668 tors. eta vs tors. theta energy: -7.886 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: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -316.052858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.052858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.052858 (E_RNA) where: Base-Base interactions energy: -99.428 where: short stacking energy: -84.627 Base-Backbone interact. energy: 4.794 local terms energy: -221.419510 where: bonds (distance) C4'-P energy: -68.858 bonds (distance) P-C4' energy: -79.659 flat angles C4'-P-C4' energy: -57.928 flat angles P-C4'-P energy: -24.078 tors. eta vs tors. theta energy: 9.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1339.619358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.619358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.619358 (E_RNA) where: Base-Base interactions energy: -908.210 where: short stacking energy: -391.625 Base-Backbone interact. energy: -1.065 local terms energy: -430.343908 where: bonds (distance) C4'-P energy: -82.303 bonds (distance) P-C4' energy: -82.329 flat angles C4'-P-C4' energy: -90.591 flat angles P-C4'-P energy: -55.894 tors. eta vs tors. theta energy: -119.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1237.630729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.630729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.630729 (E_RNA) where: Base-Base interactions energy: -824.691 where: short stacking energy: -369.319 Base-Backbone interact. energy: -0.460 local terms energy: -412.480087 where: bonds (distance) C4'-P energy: -73.082 bonds (distance) P-C4' energy: -85.126 flat angles C4'-P-C4' energy: -81.672 flat angles P-C4'-P energy: -61.066 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: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1181.655080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.655080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.655080 (E_RNA) where: Base-Base interactions energy: -782.444 where: short stacking energy: -333.231 Base-Backbone interact. energy: 2.251 local terms energy: -401.461794 where: bonds (distance) C4'-P energy: -81.068 bonds (distance) P-C4' energy: -76.392 flat angles C4'-P-C4' energy: -84.361 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: -111.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1145.691902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.691902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.691902 (E_RNA) where: Base-Base interactions energy: -759.761 where: short stacking energy: -340.868 Base-Backbone interact. energy: -0.949 local terms energy: -384.981618 where: bonds (distance) C4'-P energy: -62.623 bonds (distance) P-C4' energy: -70.329 flat angles C4'-P-C4' energy: -95.645 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -106.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1098.400351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.400351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.400351 (E_RNA) where: Base-Base interactions energy: -754.192 where: short stacking energy: -316.769 Base-Backbone interact. energy: 4.695 local terms energy: -348.902410 where: bonds (distance) C4'-P energy: -61.161 bonds (distance) P-C4' energy: -76.083 flat angles C4'-P-C4' energy: -66.371 flat angles P-C4'-P energy: -43.250 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: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -899.688293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.688293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.688293 (E_RNA) where: Base-Base interactions energy: -560.275 where: short stacking energy: -273.477 Base-Backbone interact. energy: 0.219 local terms energy: -339.631998 where: bonds (distance) C4'-P energy: -70.034 bonds (distance) P-C4' energy: -79.660 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -50.786 tors. eta vs tors. theta energy: -64.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -690.118496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.118496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.118496 (E_RNA) where: Base-Base interactions energy: -390.518 where: short stacking energy: -192.329 Base-Backbone interact. energy: -1.540 local terms energy: -298.060512 where: bonds (distance) C4'-P energy: -68.956 bonds (distance) P-C4' energy: -78.431 flat angles C4'-P-C4' energy: -71.546 flat angles P-C4'-P energy: -45.365 tors. eta vs tors. theta energy: -33.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -393.827286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.827286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.827286 (E_RNA) where: Base-Base interactions energy: -174.954 where: short stacking energy: -124.304 Base-Backbone interact. energy: 0.161 local terms energy: -219.034281 where: bonds (distance) C4'-P energy: -54.075 bonds (distance) P-C4' energy: -59.547 flat angles C4'-P-C4' energy: -67.003 flat angles P-C4'-P energy: -47.128 tors. eta vs tors. theta energy: 8.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -353.881284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.881284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.881284 (E_RNA) where: Base-Base interactions energy: -137.509 where: short stacking energy: -109.618 Base-Backbone interact. energy: -1.206 local terms energy: -215.166550 where: bonds (distance) C4'-P energy: -58.627 bonds (distance) P-C4' energy: -70.929 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -15.711 tors. eta vs tors. theta energy: 0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -308.689512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.689512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.689512 (E_RNA) where: Base-Base interactions energy: -110.771 where: short stacking energy: -93.225 Base-Backbone interact. energy: -0.549 local terms energy: -197.370218 where: bonds (distance) C4'-P energy: -67.525 bonds (distance) P-C4' energy: -62.342 flat angles C4'-P-C4' energy: -50.338 flat angles P-C4'-P energy: -28.558 tors. eta vs tors. theta energy: 11.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1347.784196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.784196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.784196 (E_RNA) where: Base-Base interactions energy: -898.410 where: short stacking energy: -393.951 Base-Backbone interact. energy: -1.601 local terms energy: -447.773211 where: bonds (distance) C4'-P energy: -79.330 bonds (distance) P-C4' energy: -83.215 flat angles C4'-P-C4' energy: -94.302 flat angles P-C4'-P energy: -70.879 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: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1227.526169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.526169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.526169 (E_RNA) where: Base-Base interactions energy: -818.730 where: short stacking energy: -364.654 Base-Backbone interact. energy: -0.213 local terms energy: -408.582970 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -75.571 flat angles C4'-P-C4' energy: -91.860 flat angles P-C4'-P energy: -54.789 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: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1192.412906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.412906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.412906 (E_RNA) where: Base-Base interactions energy: -785.636 where: short stacking energy: -349.107 Base-Backbone interact. energy: -1.894 local terms energy: -404.882504 where: bonds (distance) C4'-P energy: -83.178 bonds (distance) P-C4' energy: -79.180 flat angles C4'-P-C4' energy: -89.902 flat angles P-C4'-P energy: -53.714 tors. eta vs tors. theta energy: -98.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1148.223916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.223916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.223916 (E_RNA) where: Base-Base interactions energy: -761.179 where: short stacking energy: -333.143 Base-Backbone interact. energy: -0.624 local terms energy: -386.420652 where: bonds (distance) C4'-P energy: -71.959 bonds (distance) P-C4' energy: -70.755 flat angles C4'-P-C4' energy: -85.591 flat angles P-C4'-P energy: -56.714 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: 5, replica: 10 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1102.278611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.278611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.278611 (E_RNA) where: Base-Base interactions energy: -747.152 where: short stacking energy: -305.784 Base-Backbone interact. energy: -1.921 local terms energy: -353.204918 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -72.538 flat angles C4'-P-C4' energy: -82.962 flat angles P-C4'-P energy: -39.921 tors. eta vs tors. theta energy: -90.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -812.564981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.564981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.564981 (E_RNA) where: Base-Base interactions energy: -496.657 where: short stacking energy: -240.662 Base-Backbone interact. energy: -0.695 local terms energy: -315.212520 where: bonds (distance) C4'-P energy: -60.056 bonds (distance) P-C4' energy: -62.729 flat angles C4'-P-C4' energy: -76.322 flat angles P-C4'-P energy: -57.311 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: 7, replica: 7 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -697.804529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.804529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.804529 (E_RNA) where: Base-Base interactions energy: -416.877 where: short stacking energy: -208.133 Base-Backbone interact. energy: 2.038 local terms energy: -282.965299 where: bonds (distance) C4'-P energy: -60.858 bonds (distance) P-C4' energy: -77.796 flat angles C4'-P-C4' energy: -73.371 flat angles P-C4'-P energy: -34.120 tors. eta vs tors. theta energy: -36.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -401.433520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.433520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.433520 (E_RNA) where: Base-Base interactions energy: -174.863 where: short stacking energy: -125.827 Base-Backbone interact. energy: -1.126 local terms energy: -225.444230 where: bonds (distance) C4'-P energy: -63.514 bonds (distance) P-C4' energy: -64.265 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -28.378 tors. eta vs tors. theta energy: 2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -363.979928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.979928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.979928 (E_RNA) where: Base-Base interactions energy: -164.038 where: short stacking energy: -109.892 Base-Backbone interact. energy: 2.357 local terms energy: -202.298981 where: bonds (distance) C4'-P energy: -56.143 bonds (distance) P-C4' energy: -61.530 flat angles C4'-P-C4' energy: -47.633 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: 0.487 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: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -321.543200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.543200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.543200 (E_RNA) where: Base-Base interactions energy: -103.012 where: short stacking energy: -94.668 Base-Backbone interact. energy: 0.391 local terms energy: -218.922270 where: bonds (distance) C4'-P energy: -61.897 bonds (distance) P-C4' energy: -73.630 flat angles C4'-P-C4' energy: -54.669 flat angles P-C4'-P energy: -33.730 tors. eta vs tors. theta energy: 5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1339.534188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.534188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.534188 (E_RNA) where: Base-Base interactions energy: -917.668 where: short stacking energy: -390.723 Base-Backbone interact. energy: -2.905 local terms energy: -418.961245 where: bonds (distance) C4'-P energy: -83.237 bonds (distance) P-C4' energy: -64.036 flat angles C4'-P-C4' energy: -86.450 flat angles P-C4'-P energy: -64.260 tors. eta vs tors. theta energy: -120.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1254.969998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.969998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.969998 (E_RNA) where: Base-Base interactions energy: -849.981 where: short stacking energy: -382.572 Base-Backbone interact. energy: -4.187 local terms energy: -400.801653 where: bonds (distance) C4'-P energy: -72.113 bonds (distance) P-C4' energy: -77.314 flat angles C4'-P-C4' energy: -86.924 flat angles P-C4'-P energy: -57.793 tors. eta vs tors. theta energy: -106.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1203.721249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.721249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.721249 (E_RNA) where: Base-Base interactions energy: -821.745 where: short stacking energy: -352.561 Base-Backbone interact. energy: -0.926 local terms energy: -381.050663 where: bonds (distance) C4'-P energy: -69.430 bonds (distance) P-C4' energy: -82.178 flat angles C4'-P-C4' energy: -78.874 flat angles P-C4'-P energy: -56.544 tors. eta vs tors. theta energy: -94.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1141.025100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.025100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.025100 (E_RNA) where: Base-Base interactions energy: -757.040 where: short stacking energy: -358.983 Base-Backbone interact. energy: -4.341 local terms energy: -379.644133 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -69.030 flat angles C4'-P-C4' energy: -78.559 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -115.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1097.596656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.596656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.596656 (E_RNA) where: Base-Base interactions energy: -748.985 where: short stacking energy: -315.347 Base-Backbone interact. energy: -1.735 local terms energy: -346.876822 where: bonds (distance) C4'-P energy: -65.355 bonds (distance) P-C4' energy: -70.930 flat angles C4'-P-C4' energy: -82.539 flat angles P-C4'-P energy: -45.216 tors. eta vs tors. theta energy: -82.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -836.431217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.431217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.431217 (E_RNA) where: Base-Base interactions energy: -513.658 where: short stacking energy: -240.811 Base-Backbone interact. energy: -2.723 local terms energy: -320.051055 where: bonds (distance) C4'-P energy: -80.825 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -71.245 flat angles P-C4'-P energy: -37.341 tors. eta vs tors. theta energy: -61.485 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: 7, replica: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -723.991775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.991775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.991775 (E_RNA) where: Base-Base interactions energy: -454.490 where: short stacking energy: -189.004 Base-Backbone interact. energy: -0.747 local terms energy: -268.754463 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -72.126 flat angles C4'-P-C4' energy: -64.168 flat angles P-C4'-P energy: -47.631 tors. eta vs tors. theta energy: -23.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -411.923850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.923850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.923850 (E_RNA) where: Base-Base interactions energy: -142.787 where: short stacking energy: -119.419 Base-Backbone interact. energy: -0.463 local terms energy: -268.673802 where: bonds (distance) C4'-P energy: -69.713 bonds (distance) P-C4' energy: -72.497 flat angles C4'-P-C4' energy: -79.807 flat angles P-C4'-P energy: -28.198 tors. eta vs tors. theta energy: -18.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -323.683490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.683490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.683490 (E_RNA) where: Base-Base interactions energy: -117.577 where: short stacking energy: -84.407 Base-Backbone interact. energy: 0.152 local terms energy: -206.258011 where: bonds (distance) C4'-P energy: -64.506 bonds (distance) P-C4' energy: -74.380 flat angles C4'-P-C4' energy: -58.230 flat angles P-C4'-P energy: -33.118 tors. eta vs tors. theta energy: 23.976 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: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -371.788510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.788510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.788510 (E_RNA) where: Base-Base interactions energy: -157.931 where: short stacking energy: -92.359 Base-Backbone interact. energy: -0.947 local terms energy: -212.910374 where: bonds (distance) C4'-P energy: -69.046 bonds (distance) P-C4' energy: -66.892 flat angles C4'-P-C4' energy: -44.423 flat angles P-C4'-P energy: -37.739 tors. eta vs tors. theta energy: 5.189 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: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1365.345679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.345679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.345679 (E_RNA) where: Base-Base interactions energy: -919.485 where: short stacking energy: -399.189 Base-Backbone interact. energy: -3.006 local terms energy: -442.854847 where: bonds (distance) C4'-P energy: -78.666 bonds (distance) P-C4' energy: -83.217 flat angles C4'-P-C4' energy: -90.142 flat angles P-C4'-P energy: -69.123 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: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1251.247644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.247644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.247644 (E_RNA) where: Base-Base interactions energy: -836.538 where: short stacking energy: -370.611 Base-Backbone interact. energy: -1.375 local terms energy: -413.333817 where: bonds (distance) C4'-P energy: -79.511 bonds (distance) P-C4' energy: -81.651 flat angles C4'-P-C4' energy: -96.817 flat angles P-C4'-P energy: -57.167 tors. eta vs tors. theta energy: -98.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1151.445934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.445934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.445934 (E_RNA) where: Base-Base interactions energy: -758.057 where: short stacking energy: -321.332 Base-Backbone interact. energy: -1.034 local terms energy: -392.354777 where: bonds (distance) C4'-P energy: -73.435 bonds (distance) P-C4' energy: -72.533 flat angles C4'-P-C4' energy: -86.423 flat angles P-C4'-P energy: -54.085 tors. eta vs tors. theta energy: -105.879 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: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1137.535802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.535802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.535802 (E_RNA) where: Base-Base interactions energy: -781.294 where: short stacking energy: -340.753 Base-Backbone interact. energy: -4.193 local terms energy: -352.048720 where: bonds (distance) C4'-P energy: -69.312 bonds (distance) P-C4' energy: -71.578 flat angles C4'-P-C4' energy: -73.513 flat angles P-C4'-P energy: -46.374 tors. eta vs tors. theta energy: -91.272 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: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1085.397055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.397055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.397055 (E_RNA) where: Base-Base interactions energy: -736.834 where: short stacking energy: -305.643 Base-Backbone interact. energy: 1.009 local terms energy: -349.571178 where: bonds (distance) C4'-P energy: -63.646 bonds (distance) P-C4' energy: -69.700 flat angles C4'-P-C4' energy: -77.533 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -91.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -815.951442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.951442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.951442 (E_RNA) where: Base-Base interactions energy: -503.012 where: short stacking energy: -255.650 Base-Backbone interact. energy: -2.152 local terms energy: -310.788116 where: bonds (distance) C4'-P energy: -73.453 bonds (distance) P-C4' energy: -65.188 flat angles C4'-P-C4' energy: -66.592 flat angles P-C4'-P energy: -50.318 tors. eta vs tors. theta energy: -55.237 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: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -769.536018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.536018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.536018 (E_RNA) where: Base-Base interactions energy: -482.536 where: short stacking energy: -203.350 Base-Backbone interact. energy: -1.742 local terms energy: -285.258102 where: bonds (distance) C4'-P energy: -64.719 bonds (distance) P-C4' energy: -73.783 flat angles C4'-P-C4' energy: -69.761 flat angles P-C4'-P energy: -40.076 tors. eta vs tors. theta energy: -36.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -386.953748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.953748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.953748 (E_RNA) where: Base-Base interactions energy: -117.613 where: short stacking energy: -88.723 Base-Backbone interact. energy: 5.576 local terms energy: -274.916774 where: bonds (distance) C4'-P energy: -73.231 bonds (distance) P-C4' energy: -82.772 flat angles C4'-P-C4' energy: -68.207 flat angles P-C4'-P energy: -41.270 tors. eta vs tors. theta energy: -9.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -347.484751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.484751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.484751 (E_RNA) where: Base-Base interactions energy: -140.057 where: short stacking energy: -109.185 Base-Backbone interact. energy: 2.848 local terms energy: -210.275544 where: bonds (distance) C4'-P energy: -67.976 bonds (distance) P-C4' energy: -59.421 flat angles C4'-P-C4' energy: -62.896 flat angles P-C4'-P energy: -35.658 tors. eta vs tors. theta energy: 15.676 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: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -355.982851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.982851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.982851 (E_RNA) where: Base-Base interactions energy: -133.177 where: short stacking energy: -90.523 Base-Backbone interact. energy: 4.226 local terms energy: -227.031398 where: bonds (distance) C4'-P energy: -58.066 bonds (distance) P-C4' energy: -74.422 flat angles C4'-P-C4' energy: -62.048 flat angles P-C4'-P energy: -27.451 tors. eta vs tors. theta energy: -5.044 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: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1334.452043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.452043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.452043 (E_RNA) where: Base-Base interactions energy: -896.774 where: short stacking energy: -398.276 Base-Backbone interact. energy: -2.744 local terms energy: -434.934428 where: bonds (distance) C4'-P energy: -82.608 bonds (distance) P-C4' energy: -69.977 flat angles C4'-P-C4' energy: -93.110 flat angles P-C4'-P energy: -61.390 tors. eta vs tors. theta energy: -127.849 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: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1249.197956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.197956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.197956 (E_RNA) where: Base-Base interactions energy: -864.355 where: short stacking energy: -350.365 Base-Backbone interact. energy: -3.245 local terms energy: -381.598194 where: bonds (distance) C4'-P energy: -71.697 bonds (distance) P-C4' energy: -73.766 flat angles C4'-P-C4' energy: -77.745 flat angles P-C4'-P energy: -59.700 tors. eta vs tors. theta energy: -98.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1194.078942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.078942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.078942 (E_RNA) where: Base-Base interactions energy: -802.481 where: short stacking energy: -377.304 Base-Backbone interact. energy: -1.739 local terms energy: -389.859114 where: bonds (distance) C4'-P energy: -69.959 bonds (distance) P-C4' energy: -72.101 flat angles C4'-P-C4' energy: -85.473 flat angles P-C4'-P energy: -52.606 tors. eta vs tors. theta energy: -109.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1160.444914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.444914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.444914 (E_RNA) where: Base-Base interactions energy: -781.859 where: short stacking energy: -357.757 Base-Backbone interact. energy: -2.001 local terms energy: -376.585773 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -69.420 flat angles C4'-P-C4' energy: -85.886 flat angles P-C4'-P energy: -54.778 tors. eta vs tors. theta energy: -101.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1077.263288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.263288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.263288 (E_RNA) where: Base-Base interactions energy: -722.048 where: short stacking energy: -321.191 Base-Backbone interact. energy: -1.703 local terms energy: -353.512421 where: bonds (distance) C4'-P energy: -81.724 bonds (distance) P-C4' energy: -67.288 flat angles C4'-P-C4' energy: -74.647 flat angles P-C4'-P energy: -52.898 tors. eta vs tors. theta energy: -76.956 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: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -824.302324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.302324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.302324 (E_RNA) where: Base-Base interactions energy: -528.858 where: short stacking energy: -222.125 Base-Backbone interact. energy: -1.701 local terms energy: -293.742896 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -70.989 flat angles C4'-P-C4' energy: -67.656 flat angles P-C4'-P energy: -48.057 tors. eta vs tors. theta energy: -40.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -878.178288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.178288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.178288 (E_RNA) where: Base-Base interactions energy: -558.562 where: short stacking energy: -241.224 Base-Backbone interact. energy: -1.834 local terms energy: -317.781840 where: bonds (distance) C4'-P energy: -70.494 bonds (distance) P-C4' energy: -71.533 flat angles C4'-P-C4' energy: -74.325 flat angles P-C4'-P energy: -41.516 tors. eta vs tors. theta energy: -59.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -373.441362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.441362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.441362 (E_RNA) where: Base-Base interactions energy: -149.359 where: short stacking energy: -127.424 Base-Backbone interact. energy: -2.223 local terms energy: -221.858749 where: bonds (distance) C4'-P energy: -59.674 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -55.704 flat angles P-C4'-P energy: -33.259 tors. eta vs tors. theta energy: -7.985 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: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -350.190800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.190800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.190800 (E_RNA) where: Base-Base interactions energy: -114.360 where: short stacking energy: -83.723 Base-Backbone interact. energy: 0.134 local terms energy: -235.964585 where: bonds (distance) C4'-P energy: -69.528 bonds (distance) P-C4' energy: -78.534 flat angles C4'-P-C4' energy: -63.014 flat angles P-C4'-P energy: -47.738 tors. eta vs tors. theta energy: 22.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -317.959439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.959439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.959439 (E_RNA) where: Base-Base interactions energy: -89.554 where: short stacking energy: -62.435 Base-Backbone interact. energy: 5.492 local terms energy: -233.897080 where: bonds (distance) C4'-P energy: -66.209 bonds (distance) P-C4' energy: -80.182 flat angles C4'-P-C4' energy: -62.390 flat angles P-C4'-P energy: -33.260 tors. eta vs tors. theta energy: 8.143 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: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1357.035344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.035344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.035344 (E_RNA) where: Base-Base interactions energy: -918.451 where: short stacking energy: -411.967 Base-Backbone interact. energy: -1.294 local terms energy: -437.290628 where: bonds (distance) C4'-P energy: -76.279 bonds (distance) P-C4' energy: -72.282 flat angles C4'-P-C4' energy: -97.321 flat angles P-C4'-P energy: -67.161 tors. eta vs tors. theta energy: -124.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1251.903567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.903567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.903567 (E_RNA) where: Base-Base interactions energy: -851.017 where: short stacking energy: -374.638 Base-Backbone interact. energy: -0.377 local terms energy: -400.509434 where: bonds (distance) C4'-P energy: -76.526 bonds (distance) P-C4' energy: -79.921 flat angles C4'-P-C4' energy: -87.152 flat angles P-C4'-P energy: -54.513 tors. eta vs tors. theta energy: -102.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1209.477931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.477931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.477931 (E_RNA) where: Base-Base interactions energy: -782.203 where: short stacking energy: -372.693 Base-Backbone interact. energy: -1.345 local terms energy: -425.929201 where: bonds (distance) C4'-P energy: -83.775 bonds (distance) P-C4' energy: -79.518 flat angles C4'-P-C4' energy: -85.408 flat angles P-C4'-P energy: -52.743 tors. eta vs tors. theta energy: -124.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1140.751036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.751036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.751036 (E_RNA) where: Base-Base interactions energy: -760.752 where: short stacking energy: -364.040 Base-Backbone interact. energy: -0.312 local terms energy: -379.687277 where: bonds (distance) C4'-P energy: -59.749 bonds (distance) P-C4' energy: -67.133 flat angles C4'-P-C4' energy: -81.673 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: -105.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1029.773452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.773452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.773452 (E_RNA) where: Base-Base interactions energy: -700.203 where: short stacking energy: -298.612 Base-Backbone interact. energy: -2.424 local terms energy: -327.146133 where: bonds (distance) C4'-P energy: -67.742 bonds (distance) P-C4' energy: -61.128 flat angles C4'-P-C4' energy: -70.328 flat angles P-C4'-P energy: -49.243 tors. eta vs tors. theta energy: -78.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -815.202462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.202462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.202462 (E_RNA) where: Base-Base interactions energy: -519.099 where: short stacking energy: -241.794 Base-Backbone interact. energy: 0.074 local terms energy: -296.177324 where: bonds (distance) C4'-P energy: -49.557 bonds (distance) P-C4' energy: -79.285 flat angles C4'-P-C4' energy: -65.619 flat angles P-C4'-P energy: -44.770 tors. eta vs tors. theta energy: -56.947 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: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -823.496706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.496706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.496706 (E_RNA) where: Base-Base interactions energy: -530.241 where: short stacking energy: -246.542 Base-Backbone interact. energy: -1.378 local terms energy: -291.877388 where: bonds (distance) C4'-P energy: -69.040 bonds (distance) P-C4' energy: -55.710 flat angles C4'-P-C4' energy: -72.574 flat angles P-C4'-P energy: -32.030 tors. eta vs tors. theta energy: -62.524 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: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -379.817602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.817602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.817602 (E_RNA) where: Base-Base interactions energy: -124.556 where: short stacking energy: -113.844 Base-Backbone interact. energy: -0.425 local terms energy: -254.836595 where: bonds (distance) C4'-P energy: -69.854 bonds (distance) P-C4' energy: -71.616 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -34.835 tors. eta vs tors. theta energy: -6.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -359.340855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.340855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.340855 (E_RNA) where: Base-Base interactions energy: -134.160 where: short stacking energy: -104.748 Base-Backbone interact. energy: 1.911 local terms energy: -227.092351 where: bonds (distance) C4'-P energy: -67.921 bonds (distance) P-C4' energy: -81.331 flat angles C4'-P-C4' energy: -53.283 flat angles P-C4'-P energy: -26.564 tors. eta vs tors. theta energy: 2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -347.421046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.421046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.421046 (E_RNA) where: Base-Base interactions energy: -130.659 where: short stacking energy: -103.614 Base-Backbone interact. energy: -0.566 local terms energy: -216.196193 where: bonds (distance) C4'-P energy: -68.477 bonds (distance) P-C4' energy: -70.038 flat angles C4'-P-C4' energy: -49.742 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: 11.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1328.203124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.203124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.203124 (E_RNA) where: Base-Base interactions energy: -887.312 where: short stacking energy: -379.524 Base-Backbone interact. energy: -2.503 local terms energy: -438.387647 where: bonds (distance) C4'-P energy: -80.624 bonds (distance) P-C4' energy: -82.228 flat angles C4'-P-C4' energy: -85.426 flat angles P-C4'-P energy: -73.456 tors. eta vs tors. theta energy: -116.655 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: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1237.002427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.002427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.002427 (E_RNA) where: Base-Base interactions energy: -827.788 where: short stacking energy: -360.976 Base-Backbone interact. energy: 0.741 local terms energy: -409.955331 where: bonds (distance) C4'-P energy: -77.458 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -78.106 flat angles P-C4'-P energy: -66.593 tors. eta vs tors. theta energy: -107.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1219.192339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.192339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.192339 (E_RNA) where: Base-Base interactions energy: -812.765 where: short stacking energy: -349.776 Base-Backbone interact. energy: -0.579 local terms energy: -405.848947 where: bonds (distance) C4'-P energy: -64.190 bonds (distance) P-C4' energy: -77.458 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -55.800 tors. eta vs tors. theta energy: -111.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1149.874867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.874867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.874867 (E_RNA) where: Base-Base interactions energy: -774.954 where: short stacking energy: -359.138 Base-Backbone interact. energy: -0.612 local terms energy: -374.308735 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -70.691 flat angles C4'-P-C4' energy: -82.044 flat angles P-C4'-P energy: -45.409 tors. eta vs tors. theta energy: -111.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1066.182708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.182708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.182708 (E_RNA) where: Base-Base interactions energy: -722.952 where: short stacking energy: -316.490 Base-Backbone interact. energy: -1.692 local terms energy: -341.539332 where: bonds (distance) C4'-P energy: -67.502 bonds (distance) P-C4' energy: -66.727 flat angles C4'-P-C4' energy: -78.559 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -82.739 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: 385 Temperature: 1.150000 Total energy: -840.880556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.880556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.880556 (E_RNA) where: Base-Base interactions energy: -504.792 where: short stacking energy: -213.517 Base-Backbone interact. energy: -1.014 local terms energy: -335.074033 where: bonds (distance) C4'-P energy: -64.822 bonds (distance) P-C4' energy: -86.721 flat angles C4'-P-C4' energy: -75.288 flat angles P-C4'-P energy: -49.172 tors. eta vs tors. theta energy: -59.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -710.191098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.191098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.191098 (E_RNA) where: Base-Base interactions energy: -417.421 where: short stacking energy: -212.910 Base-Backbone interact. energy: -1.760 local terms energy: -291.009697 where: bonds (distance) C4'-P energy: -71.521 bonds (distance) P-C4' energy: -73.283 flat angles C4'-P-C4' energy: -74.632 flat angles P-C4'-P energy: -33.492 tors. eta vs tors. theta energy: -38.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -382.744290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.744290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.744290 (E_RNA) where: Base-Base interactions energy: -143.358 where: short stacking energy: -100.196 Base-Backbone interact. energy: -0.733 local terms energy: -238.653903 where: bonds (distance) C4'-P energy: -61.726 bonds (distance) P-C4' energy: -78.998 flat angles C4'-P-C4' energy: -64.145 flat angles P-C4'-P energy: -40.849 tors. eta vs tors. theta energy: 7.064 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: 9, replica: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -387.313025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.313025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.313025 (E_RNA) where: Base-Base interactions energy: -161.096 where: short stacking energy: -124.913 Base-Backbone interact. energy: -3.716 local terms energy: -222.501231 where: bonds (distance) C4'-P energy: -69.573 bonds (distance) P-C4' energy: -64.000 flat angles C4'-P-C4' energy: -54.837 flat angles P-C4'-P energy: -29.276 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -326.689217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.689217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.689217 (E_RNA) where: Base-Base interactions energy: -108.175 where: short stacking energy: -73.904 Base-Backbone interact. energy: 0.922 local terms energy: -219.436195 where: bonds (distance) C4'-P energy: -65.268 bonds (distance) P-C4' energy: -76.592 flat angles C4'-P-C4' energy: -56.632 flat angles P-C4'-P energy: -39.285 tors. eta vs tors. theta energy: 18.341 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: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1285.472426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.472426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.472426 (E_RNA) where: Base-Base interactions energy: -873.347 where: short stacking energy: -383.059 Base-Backbone interact. energy: 2.886 local terms energy: -415.011635 where: bonds (distance) C4'-P energy: -75.111 bonds (distance) P-C4' energy: -84.599 flat angles C4'-P-C4' energy: -90.483 flat angles P-C4'-P energy: -51.159 tors. eta vs tors. theta energy: -113.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1301.747975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.747975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.747975 (E_RNA) where: Base-Base interactions energy: -873.409 where: short stacking energy: -375.203 Base-Backbone interact. energy: -1.772 local terms energy: -426.566732 where: bonds (distance) C4'-P energy: -77.442 bonds (distance) P-C4' energy: -77.711 flat angles C4'-P-C4' energy: -94.923 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: -113.113 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: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1209.713050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.713050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.713050 (E_RNA) where: Base-Base interactions energy: -838.356 where: short stacking energy: -377.690 Base-Backbone interact. energy: 4.293 local terms energy: -375.649660 where: bonds (distance) C4'-P energy: -71.381 bonds (distance) P-C4' energy: -64.901 flat angles C4'-P-C4' energy: -85.686 flat angles P-C4'-P energy: -46.870 tors. eta vs tors. theta energy: -106.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1175.294433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.294433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.294433 (E_RNA) where: Base-Base interactions energy: -785.879 where: short stacking energy: -375.256 Base-Backbone interact. energy: -4.133 local terms energy: -385.282610 where: bonds (distance) C4'-P energy: -70.252 bonds (distance) P-C4' energy: -60.998 flat angles C4'-P-C4' energy: -84.699 flat angles P-C4'-P energy: -52.973 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: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1129.954321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.954321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.954321 (E_RNA) where: Base-Base interactions energy: -754.349 where: short stacking energy: -328.343 Base-Backbone interact. energy: -2.686 local terms energy: -372.919165 where: bonds (distance) C4'-P energy: -73.244 bonds (distance) P-C4' energy: -69.048 flat angles C4'-P-C4' energy: -73.792 flat angles P-C4'-P energy: -50.345 tors. eta vs tors. theta energy: -106.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -783.502265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.502265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.502265 (E_RNA) where: Base-Base interactions energy: -504.807 where: short stacking energy: -253.682 Base-Backbone interact. energy: -0.884 local terms energy: -277.811352 where: bonds (distance) C4'-P energy: -54.350 bonds (distance) P-C4' energy: -54.812 flat angles C4'-P-C4' energy: -67.539 flat angles P-C4'-P energy: -52.760 tors. eta vs tors. theta energy: -48.350 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: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -689.099537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.099537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.099537 (E_RNA) where: Base-Base interactions energy: -403.479 where: short stacking energy: -197.801 Base-Backbone interact. energy: -1.312 local terms energy: -284.308773 where: bonds (distance) C4'-P energy: -64.949 bonds (distance) P-C4' energy: -70.482 flat angles C4'-P-C4' energy: -62.985 flat angles P-C4'-P energy: -51.439 tors. eta vs tors. theta energy: -34.454 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: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -383.596949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.596949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.596949 (E_RNA) where: Base-Base interactions energy: -145.952 where: short stacking energy: -128.901 Base-Backbone interact. energy: -0.548 local terms energy: -237.096066 where: bonds (distance) C4'-P energy: -65.610 bonds (distance) P-C4' energy: -61.832 flat angles C4'-P-C4' energy: -59.360 flat angles P-C4'-P energy: -37.128 tors. eta vs tors. theta energy: -13.167 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: 386 Temperature: 1.300000 Total energy: -320.744266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.744266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.744266 (E_RNA) where: Base-Base interactions energy: -86.333 where: short stacking energy: -69.948 Base-Backbone interact. energy: 0.454 local terms energy: -234.864326 where: bonds (distance) C4'-P energy: -71.737 bonds (distance) P-C4' energy: -72.215 flat angles C4'-P-C4' energy: -61.381 flat angles P-C4'-P energy: -44.624 tors. eta vs tors. theta energy: 15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -337.432873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.432873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.432873 (E_RNA) where: Base-Base interactions energy: -122.991 where: short stacking energy: -87.800 Base-Backbone interact. energy: -1.841 local terms energy: -212.601111 where: bonds (distance) C4'-P energy: -65.659 bonds (distance) P-C4' energy: -65.046 flat angles C4'-P-C4' energy: -49.048 flat angles P-C4'-P energy: -36.073 tors. eta vs tors. theta energy: 3.226 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: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1282.892037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.892037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.892037 (E_RNA) where: Base-Base interactions energy: -867.564 where: short stacking energy: -354.665 Base-Backbone interact. energy: -1.010 local terms energy: -414.318576 where: bonds (distance) C4'-P energy: -83.537 bonds (distance) P-C4' energy: -72.402 flat angles C4'-P-C4' energy: -91.325 flat angles P-C4'-P energy: -58.787 tors. eta vs tors. theta energy: -108.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1323.274626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.274626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.274626 (E_RNA) where: Base-Base interactions energy: -896.710 where: short stacking energy: -378.949 Base-Backbone interact. energy: -0.980 local terms energy: -425.584864 where: bonds (distance) C4'-P energy: -74.403 bonds (distance) P-C4' energy: -77.836 flat angles C4'-P-C4' energy: -88.545 flat angles P-C4'-P energy: -65.067 tors. eta vs tors. theta energy: -119.734 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: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1208.433393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.433393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.433393 (E_RNA) where: Base-Base interactions energy: -808.168 where: short stacking energy: -343.220 Base-Backbone interact. energy: -1.936 local terms energy: -398.328568 where: bonds (distance) C4'-P energy: -76.357 bonds (distance) P-C4' energy: -75.549 flat angles C4'-P-C4' energy: -88.249 flat angles P-C4'-P energy: -54.074 tors. eta vs tors. theta energy: -104.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1153.891795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.891795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.891795 (E_RNA) where: Base-Base interactions energy: -768.562 where: short stacking energy: -323.737 Base-Backbone interact. energy: -3.591 local terms energy: -381.739175 where: bonds (distance) C4'-P energy: -75.827 bonds (distance) P-C4' energy: -66.574 flat angles C4'-P-C4' energy: -84.591 flat angles P-C4'-P energy: -54.864 tors. eta vs tors. theta energy: -99.883 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: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1118.416811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.416811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.416811 (E_RNA) where: Base-Base interactions energy: -730.625 where: short stacking energy: -324.589 Base-Backbone interact. energy: -1.634 local terms energy: -386.157926 where: bonds (distance) C4'-P energy: -69.059 bonds (distance) P-C4' energy: -80.631 flat angles C4'-P-C4' energy: -84.616 flat angles P-C4'-P energy: -48.292 tors. eta vs tors. theta energy: -103.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -787.852762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.852762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.852762 (E_RNA) where: Base-Base interactions energy: -488.161 where: short stacking energy: -220.584 Base-Backbone interact. energy: -2.497 local terms energy: -297.194531 where: bonds (distance) C4'-P energy: -67.184 bonds (distance) P-C4' energy: -71.946 flat angles C4'-P-C4' energy: -53.472 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -48.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -694.241302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.241302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.241302 (E_RNA) where: Base-Base interactions energy: -425.091 where: short stacking energy: -200.754 Base-Backbone interact. energy: -0.892 local terms energy: -268.258150 where: bonds (distance) C4'-P energy: -54.630 bonds (distance) P-C4' energy: -72.210 flat angles C4'-P-C4' energy: -60.894 flat angles P-C4'-P energy: -49.689 tors. eta vs tors. theta energy: -30.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -359.286754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.286754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.286754 (E_RNA) where: Base-Base interactions energy: -135.446 where: short stacking energy: -98.516 Base-Backbone interact. energy: -1.194 local terms energy: -222.646706 where: bonds (distance) C4'-P energy: -64.650 bonds (distance) P-C4' energy: -57.016 flat angles C4'-P-C4' energy: -68.267 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: 5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -353.087657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.087657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.087657 (E_RNA) where: Base-Base interactions energy: -133.224 where: short stacking energy: -72.091 Base-Backbone interact. energy: -2.982 local terms energy: -216.881732 where: bonds (distance) C4'-P energy: -65.385 bonds (distance) P-C4' energy: -67.489 flat angles C4'-P-C4' energy: -60.335 flat angles P-C4'-P energy: -37.893 tors. eta vs tors. theta energy: 14.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -318.154777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.154777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.154777 (E_RNA) where: Base-Base interactions energy: -118.152 where: short stacking energy: -81.213 Base-Backbone interact. energy: 0.266 local terms energy: -200.268712 where: bonds (distance) C4'-P energy: -52.568 bonds (distance) P-C4' energy: -81.649 flat angles C4'-P-C4' energy: -49.573 flat angles P-C4'-P energy: -32.358 tors. eta vs tors. theta energy: 15.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1312.182910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.182910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.182910 (E_RNA) where: Base-Base interactions energy: -892.112 where: short stacking energy: -372.765 Base-Backbone interact. energy: -1.547 local terms energy: -418.523883 where: bonds (distance) C4'-P energy: -76.091 bonds (distance) P-C4' energy: -82.062 flat angles C4'-P-C4' energy: -85.464 flat angles P-C4'-P energy: -64.233 tors. eta vs tors. theta energy: -110.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1260.572341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.572341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.572341 (E_RNA) where: Base-Base interactions energy: -844.952 where: short stacking energy: -370.590 Base-Backbone interact. energy: 0.445 local terms energy: -416.065360 where: bonds (distance) C4'-P energy: -88.274 bonds (distance) P-C4' energy: -71.667 flat angles C4'-P-C4' energy: -86.288 flat angles P-C4'-P energy: -50.664 tors. eta vs tors. theta energy: -119.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1168.498332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.498332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.498332 (E_RNA) where: Base-Base interactions energy: -765.571 where: short stacking energy: -338.217 Base-Backbone interact. energy: -0.761 local terms energy: -402.165767 where: bonds (distance) C4'-P energy: -73.399 bonds (distance) P-C4' energy: -77.550 flat angles C4'-P-C4' energy: -84.419 flat angles P-C4'-P energy: -59.926 tors. eta vs tors. theta energy: -106.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1141.719297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.719297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.719297 (E_RNA) where: Base-Base interactions energy: -750.638 where: short stacking energy: -333.825 Base-Backbone interact. energy: -1.040 local terms energy: -390.041998 where: bonds (distance) C4'-P energy: -69.586 bonds (distance) P-C4' energy: -87.724 flat angles C4'-P-C4' energy: -75.176 flat angles P-C4'-P energy: -59.868 tors. eta vs tors. theta energy: -97.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1093.914663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.914663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.914663 (E_RNA) where: Base-Base interactions energy: -733.497 where: short stacking energy: -299.561 Base-Backbone interact. energy: -1.771 local terms energy: -358.646727 where: bonds (distance) C4'-P energy: -66.531 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -71.991 flat angles P-C4'-P energy: -61.236 tors. eta vs tors. theta energy: -94.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -862.931251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.931251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.931251 (E_RNA) where: Base-Base interactions energy: -531.662 where: short stacking energy: -242.249 Base-Backbone interact. energy: -2.115 local terms energy: -329.154302 where: bonds (distance) C4'-P energy: -80.598 bonds (distance) P-C4' energy: -72.409 flat angles C4'-P-C4' energy: -78.458 flat angles P-C4'-P energy: -38.286 tors. eta vs tors. theta energy: -59.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -735.745011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.745011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.745011 (E_RNA) where: Base-Base interactions energy: -458.596 where: short stacking energy: -215.316 Base-Backbone interact. energy: 0.980 local terms energy: -278.129253 where: bonds (distance) C4'-P energy: -71.866 bonds (distance) P-C4' energy: -56.091 flat angles C4'-P-C4' energy: -69.016 flat angles P-C4'-P energy: -47.580 tors. eta vs tors. theta energy: -33.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -384.856384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.856384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.856384 (E_RNA) where: Base-Base interactions energy: -151.325 where: short stacking energy: -113.354 Base-Backbone interact. energy: -0.649 local terms energy: -232.882494 where: bonds (distance) C4'-P energy: -73.051 bonds (distance) P-C4' energy: -58.792 flat angles C4'-P-C4' energy: -55.163 flat angles P-C4'-P energy: -50.499 tors. eta vs tors. theta energy: 4.623 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: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -334.799939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.799939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.799939 (E_RNA) where: Base-Base interactions energy: -122.454 where: short stacking energy: -98.309 Base-Backbone interact. energy: -0.358 local terms energy: -211.988164 where: bonds (distance) C4'-P energy: -63.146 bonds (distance) P-C4' energy: -65.751 flat angles C4'-P-C4' energy: -50.372 flat angles P-C4'-P energy: -39.736 tors. eta vs tors. theta energy: 7.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -317.111383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.111383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.111383 (E_RNA) where: Base-Base interactions energy: -114.829 where: short stacking energy: -96.173 Base-Backbone interact. energy: 0.260 local terms energy: -202.542138 where: bonds (distance) C4'-P energy: -71.478 bonds (distance) P-C4' energy: -67.824 flat angles C4'-P-C4' energy: -35.321 flat angles P-C4'-P energy: -38.835 tors. eta vs tors. theta energy: 10.916 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: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1324.336926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.336926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.336926 (E_RNA) where: Base-Base interactions energy: -892.545 where: short stacking energy: -391.778 Base-Backbone interact. energy: -1.371 local terms energy: -430.421138 where: bonds (distance) C4'-P energy: -81.669 bonds (distance) P-C4' energy: -83.193 flat angles C4'-P-C4' energy: -86.748 flat angles P-C4'-P energy: -61.933 tors. eta vs tors. theta energy: -116.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1225.116712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.116712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.116712 (E_RNA) where: Base-Base interactions energy: -819.700 where: short stacking energy: -352.831 Base-Backbone interact. energy: -0.301 local terms energy: -405.115134 where: bonds (distance) C4'-P energy: -76.771 bonds (distance) P-C4' energy: -76.711 flat angles C4'-P-C4' energy: -85.892 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -106.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1153.878932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.878932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.878932 (E_RNA) where: Base-Base interactions energy: -774.292 where: short stacking energy: -363.516 Base-Backbone interact. energy: -0.587 local terms energy: -379.000761 where: bonds (distance) C4'-P energy: -75.676 bonds (distance) P-C4' energy: -64.763 flat angles C4'-P-C4' energy: -74.847 flat angles P-C4'-P energy: -56.155 tors. eta vs tors. theta energy: -107.560 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: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1127.963805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.963805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.963805 (E_RNA) where: Base-Base interactions energy: -769.557 where: short stacking energy: -305.701 Base-Backbone interact. energy: -3.275 local terms energy: -355.131815 where: bonds (distance) C4'-P energy: -78.238 bonds (distance) P-C4' energy: -65.760 flat angles C4'-P-C4' energy: -63.415 flat angles P-C4'-P energy: -55.267 tors. eta vs tors. theta energy: -92.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1075.193372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.193372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.193372 (E_RNA) where: Base-Base interactions energy: -729.072 where: short stacking energy: -310.744 Base-Backbone interact. energy: -1.558 local terms energy: -344.562645 where: bonds (distance) C4'-P energy: -62.074 bonds (distance) P-C4' energy: -72.673 flat angles C4'-P-C4' energy: -86.589 flat angles P-C4'-P energy: -41.491 tors. eta vs tors. theta energy: -81.735 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: 6, replica: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -877.101249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.101249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.101249 (E_RNA) where: Base-Base interactions energy: -542.110 where: short stacking energy: -264.217 Base-Backbone interact. energy: -1.378 local terms energy: -333.612718 where: bonds (distance) C4'-P energy: -63.205 bonds (distance) P-C4' energy: -79.471 flat angles C4'-P-C4' energy: -74.267 flat angles P-C4'-P energy: -52.246 tors. eta vs tors. theta energy: -64.424 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: 7, replica: 9 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -751.710635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.710635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.710635 (E_RNA) where: Base-Base interactions energy: -455.527 where: short stacking energy: -213.834 Base-Backbone interact. energy: 0.068 local terms energy: -296.251609 where: bonds (distance) C4'-P energy: -77.533 bonds (distance) P-C4' energy: -66.638 flat angles C4'-P-C4' energy: -57.239 flat angles P-C4'-P energy: -44.190 tors. eta vs tors. theta energy: -50.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -402.450965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.450965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.450965 (E_RNA) where: Base-Base interactions energy: -154.573 where: short stacking energy: -127.654 Base-Backbone interact. energy: -1.636 local terms energy: -246.241295 where: bonds (distance) C4'-P energy: -49.628 bonds (distance) P-C4' energy: -80.091 flat angles C4'-P-C4' energy: -65.092 flat angles P-C4'-P energy: -35.194 tors. eta vs tors. theta energy: -16.237 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: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -365.556480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.556480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.556480 (E_RNA) where: Base-Base interactions energy: -148.968 where: short stacking energy: -90.254 Base-Backbone interact. energy: 1.949 local terms energy: -218.537561 where: bonds (distance) C4'-P energy: -51.090 bonds (distance) P-C4' energy: -73.170 flat angles C4'-P-C4' energy: -50.796 flat angles P-C4'-P energy: -46.885 tors. eta vs tors. theta energy: 3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -317.236743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.236743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.236743 (E_RNA) where: Base-Base interactions energy: -118.147 where: short stacking energy: -97.324 Base-Backbone interact. energy: -2.182 local terms energy: -196.907890 where: bonds (distance) C4'-P energy: -60.504 bonds (distance) P-C4' energy: -63.404 flat angles C4'-P-C4' energy: -33.980 flat angles P-C4'-P energy: -43.707 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: 390 Temperature: 0.900000 Total energy: -1326.343887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.343887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.343887 (E_RNA) where: Base-Base interactions energy: -893.158 where: short stacking energy: -376.340 Base-Backbone interact. energy: 1.908 local terms energy: -435.093636 where: bonds (distance) C4'-P energy: -72.573 bonds (distance) P-C4' energy: -95.049 flat angles C4'-P-C4' energy: -85.214 flat angles P-C4'-P energy: -72.227 tors. eta vs tors. theta energy: -110.031 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: 8 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1269.313292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.313292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.313292 (E_RNA) where: Base-Base interactions energy: -836.407 where: short stacking energy: -382.783 Base-Backbone interact. energy: -1.522 local terms energy: -431.384790 where: bonds (distance) C4'-P energy: -81.341 bonds (distance) P-C4' energy: -85.089 flat angles C4'-P-C4' energy: -92.363 flat angles P-C4'-P energy: -58.291 tors. eta vs tors. theta energy: -114.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1171.464147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.464147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.464147 (E_RNA) where: Base-Base interactions energy: -787.999 where: short stacking energy: -330.477 Base-Backbone interact. energy: -1.777 local terms energy: -381.687896 where: bonds (distance) C4'-P energy: -73.475 bonds (distance) P-C4' energy: -76.583 flat angles C4'-P-C4' energy: -80.400 flat angles P-C4'-P energy: -60.085 tors. eta vs tors. theta energy: -91.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1126.515217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.515217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.515217 (E_RNA) where: Base-Base interactions energy: -747.183 where: short stacking energy: -327.753 Base-Backbone interact. energy: -1.222 local terms energy: -378.110000 where: bonds (distance) C4'-P energy: -77.000 bonds (distance) P-C4' energy: -71.088 flat angles C4'-P-C4' energy: -89.370 flat angles P-C4'-P energy: -46.905 tors. eta vs tors. theta energy: -93.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1023.736814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.736814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.736814 (E_RNA) where: Base-Base interactions energy: -650.445 where: short stacking energy: -295.400 Base-Backbone interact. energy: 0.895 local terms energy: -374.186615 where: bonds (distance) C4'-P energy: -77.751 bonds (distance) P-C4' energy: -71.243 flat angles C4'-P-C4' energy: -77.313 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: -85.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -765.457311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.457311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.457311 (E_RNA) where: Base-Base interactions energy: -459.290 where: short stacking energy: -215.410 Base-Backbone interact. energy: 3.619 local terms energy: -309.786255 where: bonds (distance) C4'-P energy: -74.588 bonds (distance) P-C4' energy: -65.530 flat angles C4'-P-C4' energy: -73.317 flat angles P-C4'-P energy: -50.842 tors. eta vs tors. theta energy: -45.510 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: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -751.095604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.095604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.095604 (E_RNA) where: Base-Base interactions energy: -466.531 where: short stacking energy: -218.751 Base-Backbone interact. energy: -0.558 local terms energy: -284.007435 where: bonds (distance) C4'-P energy: -72.849 bonds (distance) P-C4' energy: -76.007 flat angles C4'-P-C4' energy: -69.968 flat angles P-C4'-P energy: -33.263 tors. eta vs tors. theta energy: -31.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -355.123560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.123560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.123560 (E_RNA) where: Base-Base interactions energy: -140.368 where: short stacking energy: -92.101 Base-Backbone interact. energy: -3.010 local terms energy: -211.745641 where: bonds (distance) C4'-P energy: -70.991 bonds (distance) P-C4' energy: -70.080 flat angles C4'-P-C4' energy: -55.235 flat angles P-C4'-P energy: -27.944 tors. eta vs tors. theta energy: 12.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -334.667056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.667056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.667056 (E_RNA) where: Base-Base interactions energy: -116.925 where: short stacking energy: -80.438 Base-Backbone interact. energy: 2.100 local terms energy: -219.842867 where: bonds (distance) C4'-P energy: -65.918 bonds (distance) P-C4' energy: -68.797 flat angles C4'-P-C4' energy: -63.798 flat angles P-C4'-P energy: -26.852 tors. eta vs tors. theta energy: 5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -327.712039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.712039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.712039 (E_RNA) where: Base-Base interactions energy: -120.610 where: short stacking energy: -96.327 Base-Backbone interact. energy: 8.386 local terms energy: -215.488460 where: bonds (distance) C4'-P energy: -65.134 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -59.076 flat angles P-C4'-P energy: -25.791 tors. eta vs tors. theta energy: 10.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1347.904273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.904273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.904273 (E_RNA) where: Base-Base interactions energy: -941.249 where: short stacking energy: -394.392 Base-Backbone interact. energy: -1.353 local terms energy: -405.302813 where: bonds (distance) C4'-P energy: -74.338 bonds (distance) P-C4' energy: -82.355 flat angles C4'-P-C4' energy: -81.363 flat angles P-C4'-P energy: -56.747 tors. eta vs tors. theta energy: -110.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1251.694888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.694888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.694888 (E_RNA) where: Base-Base interactions energy: -835.417 where: short stacking energy: -366.637 Base-Backbone interact. energy: -2.041 local terms energy: -414.237275 where: bonds (distance) C4'-P energy: -77.736 bonds (distance) P-C4' energy: -85.173 flat angles C4'-P-C4' energy: -89.427 flat angles P-C4'-P energy: -59.408 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: 3, replica: 5 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1190.970850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.970850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.970850 (E_RNA) where: Base-Base interactions energy: -774.132 where: short stacking energy: -349.177 Base-Backbone interact. energy: -1.904 local terms energy: -414.934963 where: bonds (distance) C4'-P energy: -80.185 bonds (distance) P-C4' energy: -75.013 flat angles C4'-P-C4' energy: -87.358 flat angles P-C4'-P energy: -58.113 tors. eta vs tors. theta energy: -114.266 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: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1122.279862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.279862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.279862 (E_RNA) where: Base-Base interactions energy: -748.470 where: short stacking energy: -325.687 Base-Backbone interact. energy: -1.829 local terms energy: -371.980863 where: bonds (distance) C4'-P energy: -82.389 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -76.410 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: -94.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1018.896935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.896935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.896935 (E_RNA) where: Base-Base interactions energy: -647.810 where: short stacking energy: -294.027 Base-Backbone interact. energy: -0.127 local terms energy: -370.960165 where: bonds (distance) C4'-P energy: -81.978 bonds (distance) P-C4' energy: -76.590 flat angles C4'-P-C4' energy: -78.510 flat angles P-C4'-P energy: -52.378 tors. eta vs tors. theta energy: -81.504 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: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -756.011386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.011386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.011386 (E_RNA) where: Base-Base interactions energy: -451.883 where: short stacking energy: -226.030 Base-Backbone interact. energy: -0.685 local terms energy: -303.443439 where: bonds (distance) C4'-P energy: -61.211 bonds (distance) P-C4' energy: -67.377 flat angles C4'-P-C4' energy: -87.739 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: -42.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -770.768621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.768621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.768621 (E_RNA) where: Base-Base interactions energy: -479.625 where: short stacking energy: -231.073 Base-Backbone interact. energy: 0.325 local terms energy: -291.468627 where: bonds (distance) C4'-P energy: -56.301 bonds (distance) P-C4' energy: -72.199 flat angles C4'-P-C4' energy: -69.996 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -43.022 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: 391 Temperature: 1.250000 Total energy: -355.067905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.067905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.067905 (E_RNA) where: Base-Base interactions energy: -124.657 where: short stacking energy: -99.263 Base-Backbone interact. energy: 1.487 local terms energy: -231.897393 where: bonds (distance) C4'-P energy: -69.346 bonds (distance) P-C4' energy: -63.911 flat angles C4'-P-C4' energy: -64.140 flat angles P-C4'-P energy: -44.550 tors. eta vs tors. theta energy: 10.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -351.608192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.608192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.608192 (E_RNA) where: Base-Base interactions energy: -135.084 where: short stacking energy: -105.708 Base-Backbone interact. energy: -1.297 local terms energy: -215.226832 where: bonds (distance) C4'-P energy: -64.411 bonds (distance) P-C4' energy: -67.752 flat angles C4'-P-C4' energy: -57.465 flat angles P-C4'-P energy: -38.956 tors. eta vs tors. theta energy: 13.357 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: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -311.953008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.953008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.953008 (E_RNA) where: Base-Base interactions energy: -116.714 where: short stacking energy: -72.320 Base-Backbone interact. energy: -1.732 local terms energy: -193.507448 where: bonds (distance) C4'-P energy: -52.021 bonds (distance) P-C4' energy: -65.539 flat angles C4'-P-C4' energy: -67.945 flat angles P-C4'-P energy: -15.479 tors. eta vs tors. theta energy: 7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1342.331332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.331332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.331332 (E_RNA) where: Base-Base interactions energy: -913.585 where: short stacking energy: -405.466 Base-Backbone interact. energy: -1.162 local terms energy: -427.584819 where: bonds (distance) C4'-P energy: -76.280 bonds (distance) P-C4' energy: -82.748 flat angles C4'-P-C4' energy: -91.021 flat angles P-C4'-P energy: -64.335 tors. eta vs tors. theta energy: -113.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1226.299742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.299742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.299742 (E_RNA) where: Base-Base interactions energy: -815.841 where: short stacking energy: -356.154 Base-Backbone interact. energy: -0.601 local terms energy: -409.857891 where: bonds (distance) C4'-P energy: -76.835 bonds (distance) P-C4' energy: -79.681 flat angles C4'-P-C4' energy: -82.874 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: -114.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1201.178255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.178255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.178255 (E_RNA) where: Base-Base interactions energy: -798.251 where: short stacking energy: -354.559 Base-Backbone interact. energy: 0.283 local terms energy: -403.210196 where: bonds (distance) C4'-P energy: -75.239 bonds (distance) P-C4' energy: -77.618 flat angles C4'-P-C4' energy: -85.224 flat angles P-C4'-P energy: -54.498 tors. eta vs tors. theta energy: -110.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1147.213380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.213380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.213380 (E_RNA) where: Base-Base interactions energy: -759.849 where: short stacking energy: -322.138 Base-Backbone interact. energy: -1.401 local terms energy: -385.963865 where: bonds (distance) C4'-P energy: -73.594 bonds (distance) P-C4' energy: -77.466 flat angles C4'-P-C4' energy: -80.270 flat angles P-C4'-P energy: -58.436 tors. eta vs tors. theta energy: -96.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1044.802413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.802413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.802413 (E_RNA) where: Base-Base interactions energy: -683.726 where: short stacking energy: -299.642 Base-Backbone interact. energy: -1.904 local terms energy: -359.171854 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -54.484 flat angles C4'-P-C4' energy: -88.661 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -99.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -721.188661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.188661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.188661 (E_RNA) where: Base-Base interactions energy: -421.351 where: short stacking energy: -184.837 Base-Backbone interact. energy: 0.482 local terms energy: -300.319094 where: bonds (distance) C4'-P energy: -74.565 bonds (distance) P-C4' energy: -63.596 flat angles C4'-P-C4' energy: -79.051 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: -36.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -722.932812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.932812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.932812 (E_RNA) where: Base-Base interactions energy: -436.862 where: short stacking energy: -203.567 Base-Backbone interact. energy: 0.738 local terms energy: -286.808994 where: bonds (distance) C4'-P energy: -66.299 bonds (distance) P-C4' energy: -71.995 flat angles C4'-P-C4' energy: -71.491 flat angles P-C4'-P energy: -36.201 tors. eta vs tors. theta energy: -40.823 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: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -358.925346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.925346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.925346 (E_RNA) where: Base-Base interactions energy: -118.323 where: short stacking energy: -106.776 Base-Backbone interact. energy: -1.071 local terms energy: -239.530536 where: bonds (distance) C4'-P energy: -66.266 bonds (distance) P-C4' energy: -68.896 flat angles C4'-P-C4' energy: -59.523 flat angles P-C4'-P energy: -38.090 tors. eta vs tors. theta energy: -6.754 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: 9, replica: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -330.673169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.673169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.673169 (E_RNA) where: Base-Base interactions energy: -102.320 where: short stacking energy: -90.981 Base-Backbone interact. energy: 1.809 local terms energy: -230.162467 where: bonds (distance) C4'-P energy: -69.594 bonds (distance) P-C4' energy: -65.168 flat angles C4'-P-C4' energy: -55.624 flat angles P-C4'-P energy: -45.818 tors. eta vs tors. theta energy: 6.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -360.264844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.264844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.264844 (E_RNA) where: Base-Base interactions energy: -153.602 where: short stacking energy: -105.915 Base-Backbone interact. energy: 3.169 local terms energy: -209.832261 where: bonds (distance) C4'-P energy: -62.896 bonds (distance) P-C4' energy: -73.276 flat angles C4'-P-C4' energy: -58.005 flat angles P-C4'-P energy: -14.055 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1320.198657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.198657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.198657 (E_RNA) where: Base-Base interactions energy: -905.199 where: short stacking energy: -392.415 Base-Backbone interact. energy: -1.174 local terms energy: -413.825912 where: bonds (distance) C4'-P energy: -75.855 bonds (distance) P-C4' energy: -86.136 flat angles C4'-P-C4' energy: -83.929 flat angles P-C4'-P energy: -49.256 tors. eta vs tors. theta energy: -118.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1221.394749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.394749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.394749 (E_RNA) where: Base-Base interactions energy: -793.750 where: short stacking energy: -347.845 Base-Backbone interact. energy: -0.360 local terms energy: -427.284797 where: bonds (distance) C4'-P energy: -85.044 bonds (distance) P-C4' energy: -82.500 flat angles C4'-P-C4' energy: -95.252 flat angles P-C4'-P energy: -50.230 tors. eta vs tors. theta energy: -114.259 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: 3, replica: 5 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1203.828249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.828249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.828249 (E_RNA) where: Base-Base interactions energy: -791.649 where: short stacking energy: -344.415 Base-Backbone interact. energy: -0.721 local terms energy: -411.458386 where: bonds (distance) C4'-P energy: -74.137 bonds (distance) P-C4' energy: -84.659 flat angles C4'-P-C4' energy: -87.931 flat angles P-C4'-P energy: -60.415 tors. eta vs tors. theta energy: -104.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1158.571466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.571466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.571466 (E_RNA) where: Base-Base interactions energy: -758.776 where: short stacking energy: -334.949 Base-Backbone interact. energy: 0.869 local terms energy: -400.663889 where: bonds (distance) C4'-P energy: -79.288 bonds (distance) P-C4' energy: -77.657 flat angles C4'-P-C4' energy: -87.701 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -103.797 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: 393 Temperature: 1.100000 Total energy: -1096.432166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.432166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.432166 (E_RNA) where: Base-Base interactions energy: -730.525 where: short stacking energy: -319.540 Base-Backbone interact. energy: -4.127 local terms energy: -361.780424 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -77.996 flat angles P-C4'-P energy: -47.989 tors. eta vs tors. theta energy: -99.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -866.372862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.372862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.372862 (E_RNA) where: Base-Base interactions energy: -500.491 where: short stacking energy: -233.957 Base-Backbone interact. energy: -1.528 local terms energy: -364.353919 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -92.317 flat angles C4'-P-C4' energy: -74.777 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -57.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -719.315843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.315843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.315843 (E_RNA) where: Base-Base interactions energy: -414.212 where: short stacking energy: -200.276 Base-Backbone interact. energy: 0.085 local terms energy: -305.188930 where: bonds (distance) C4'-P energy: -60.419 bonds (distance) P-C4' energy: -71.729 flat angles C4'-P-C4' energy: -78.242 flat angles P-C4'-P energy: -48.366 tors. eta vs tors. theta energy: -46.433 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: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -353.467509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.467509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.467509 (E_RNA) where: Base-Base interactions energy: -128.716 where: short stacking energy: -102.993 Base-Backbone interact. energy: -0.587 local terms energy: -224.164213 where: bonds (distance) C4'-P energy: -60.579 bonds (distance) P-C4' energy: -73.698 flat angles C4'-P-C4' energy: -59.965 flat angles P-C4'-P energy: -33.322 tors. eta vs tors. theta energy: 3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -370.386987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.386987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.386987 (E_RNA) where: Base-Base interactions energy: -142.675 where: short stacking energy: -107.098 Base-Backbone interact. energy: 2.600 local terms energy: -230.312046 where: bonds (distance) C4'-P energy: -68.913 bonds (distance) P-C4' energy: -70.565 flat angles C4'-P-C4' energy: -63.878 flat angles P-C4'-P energy: -33.067 tors. eta vs tors. theta energy: 6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -303.230924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.230924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.230924 (E_RNA) where: Base-Base interactions energy: -101.697 where: short stacking energy: -84.942 Base-Backbone interact. energy: -0.215 local terms energy: -201.318910 where: bonds (distance) C4'-P energy: -60.188 bonds (distance) P-C4' energy: -60.192 flat angles C4'-P-C4' energy: -55.606 flat angles P-C4'-P energy: -37.709 tors. eta vs tors. theta energy: 12.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1332.042846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.042846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.042846 (E_RNA) where: Base-Base interactions energy: -916.530 where: short stacking energy: -396.465 Base-Backbone interact. energy: -0.875 local terms energy: -414.638311 where: bonds (distance) C4'-P energy: -63.988 bonds (distance) P-C4' energy: -85.719 flat angles C4'-P-C4' energy: -85.974 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: -116.914 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: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1209.526600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.526600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.526600 (E_RNA) where: Base-Base interactions energy: -809.138 where: short stacking energy: -366.444 Base-Backbone interact. energy: -1.093 local terms energy: -399.296411 where: bonds (distance) C4'-P energy: -64.367 bonds (distance) P-C4' energy: -77.568 flat angles C4'-P-C4' energy: -85.476 flat angles P-C4'-P energy: -59.332 tors. eta vs tors. theta energy: -112.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1194.517964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.517964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.517964 (E_RNA) where: Base-Base interactions energy: -786.688 where: short stacking energy: -360.642 Base-Backbone interact. energy: -0.055 local terms energy: -407.775478 where: bonds (distance) C4'-P energy: -75.812 bonds (distance) P-C4' energy: -74.970 flat angles C4'-P-C4' energy: -86.171 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -115.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1126.224059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.224059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.224059 (E_RNA) where: Base-Base interactions energy: -753.228 where: short stacking energy: -341.660 Base-Backbone interact. energy: -3.506 local terms energy: -369.489874 where: bonds (distance) C4'-P energy: -62.969 bonds (distance) P-C4' energy: -75.130 flat angles C4'-P-C4' energy: -89.190 flat angles P-C4'-P energy: -48.728 tors. eta vs tors. theta energy: -93.473 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: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1090.862821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.862821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.862821 (E_RNA) where: Base-Base interactions energy: -713.905 where: short stacking energy: -307.575 Base-Backbone interact. energy: 3.371 local terms energy: -380.328759 where: bonds (distance) C4'-P energy: -75.147 bonds (distance) P-C4' energy: -61.676 flat angles C4'-P-C4' energy: -78.597 flat angles P-C4'-P energy: -55.721 tors. eta vs tors. theta energy: -109.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -819.009612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.009612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.009612 (E_RNA) where: Base-Base interactions energy: -497.194 where: short stacking energy: -251.764 Base-Backbone interact. energy: -0.091 local terms energy: -321.724844 where: bonds (distance) C4'-P energy: -86.880 bonds (distance) P-C4' energy: -56.301 flat angles C4'-P-C4' energy: -68.052 flat angles P-C4'-P energy: -60.631 tors. eta vs tors. theta energy: -49.862 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: 394 Temperature: 1.200000 Total energy: -674.544325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.544325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.544325 (E_RNA) where: Base-Base interactions energy: -391.174 where: short stacking energy: -205.830 Base-Backbone interact. energy: -0.867 local terms energy: -282.503101 where: bonds (distance) C4'-P energy: -70.980 bonds (distance) P-C4' energy: -77.417 flat angles C4'-P-C4' energy: -55.303 flat angles P-C4'-P energy: -37.161 tors. eta vs tors. theta energy: -41.643 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: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -371.474603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.474603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.474603 (E_RNA) where: Base-Base interactions energy: -147.262 where: short stacking energy: -106.693 Base-Backbone interact. energy: 4.031 local terms energy: -228.243200 where: bonds (distance) C4'-P energy: -55.802 bonds (distance) P-C4' energy: -73.589 flat angles C4'-P-C4' energy: -68.049 flat angles P-C4'-P energy: -33.532 tors. eta vs tors. theta energy: 2.728 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: 9, replica: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -328.997339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.997339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.997339 (E_RNA) where: Base-Base interactions energy: -104.537 where: short stacking energy: -88.794 Base-Backbone interact. energy: -0.135 local terms energy: -224.325182 where: bonds (distance) C4'-P energy: -72.529 bonds (distance) P-C4' energy: -77.274 flat angles C4'-P-C4' energy: -49.291 flat angles P-C4'-P energy: -38.193 tors. eta vs tors. theta energy: 12.962 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: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -319.296153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.296153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.296153 (E_RNA) where: Base-Base interactions energy: -116.422 where: short stacking energy: -79.690 Base-Backbone interact. energy: -2.455 local terms energy: -200.418480 where: bonds (distance) C4'-P energy: -70.027 bonds (distance) P-C4' energy: -72.656 flat angles C4'-P-C4' energy: -58.823 flat angles P-C4'-P energy: -26.770 tors. eta vs tors. theta energy: 27.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1335.438634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.438634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.438634 (E_RNA) where: Base-Base interactions energy: -906.713 where: short stacking energy: -373.991 Base-Backbone interact. energy: -1.127 local terms energy: -427.598169 where: bonds (distance) C4'-P energy: -71.381 bonds (distance) P-C4' energy: -86.065 flat angles C4'-P-C4' energy: -89.083 flat angles P-C4'-P energy: -62.621 tors. eta vs tors. theta energy: -118.448 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: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1227.994026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.994026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.994026 (E_RNA) where: Base-Base interactions energy: -804.087 where: short stacking energy: -358.886 Base-Backbone interact. energy: -0.627 local terms energy: -423.280181 where: bonds (distance) C4'-P energy: -81.125 bonds (distance) P-C4' energy: -87.162 flat angles C4'-P-C4' energy: -85.918 flat angles P-C4'-P energy: -61.397 tors. eta vs tors. theta energy: -107.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1180.216550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.216550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.216550 (E_RNA) where: Base-Base interactions energy: -769.194 where: short stacking energy: -349.115 Base-Backbone interact. energy: -0.594 local terms energy: -410.428039 where: bonds (distance) C4'-P energy: -80.072 bonds (distance) P-C4' energy: -82.656 flat angles C4'-P-C4' energy: -93.735 flat angles P-C4'-P energy: -52.328 tors. eta vs tors. theta energy: -101.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1140.908601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.908601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.908601 (E_RNA) where: Base-Base interactions energy: -750.122 where: short stacking energy: -343.408 Base-Backbone interact. energy: -3.278 local terms energy: -387.509114 where: bonds (distance) C4'-P energy: -75.126 bonds (distance) P-C4' energy: -71.274 flat angles C4'-P-C4' energy: -86.297 flat angles P-C4'-P energy: -52.193 tors. eta vs tors. theta energy: -102.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1088.503328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.503328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.503328 (E_RNA) where: Base-Base interactions energy: -698.454 where: short stacking energy: -330.268 Base-Backbone interact. energy: -1.785 local terms energy: -388.265152 where: bonds (distance) C4'-P energy: -68.870 bonds (distance) P-C4' energy: -73.798 flat angles C4'-P-C4' energy: -86.397 flat angles P-C4'-P energy: -59.736 tors. eta vs tors. theta energy: -99.465 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: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -829.486085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.486085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.486085 (E_RNA) where: Base-Base interactions energy: -496.855 where: short stacking energy: -239.075 Base-Backbone interact. energy: 0.721 local terms energy: -333.351766 where: bonds (distance) C4'-P energy: -72.484 bonds (distance) P-C4' energy: -74.220 flat angles C4'-P-C4' energy: -75.930 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -64.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -690.037001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.037001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.037001 (E_RNA) where: Base-Base interactions energy: -395.992 where: short stacking energy: -182.387 Base-Backbone interact. energy: -1.074 local terms energy: -292.971151 where: bonds (distance) C4'-P energy: -67.395 bonds (distance) P-C4' energy: -78.677 flat angles C4'-P-C4' energy: -63.741 flat angles P-C4'-P energy: -59.178 tors. eta vs tors. theta energy: -23.980 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: 395 Temperature: 1.250000 Total energy: -355.085753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.085753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.085753 (E_RNA) where: Base-Base interactions energy: -130.736 where: short stacking energy: -121.745 Base-Backbone interact. energy: -1.380 local terms energy: -222.969967 where: bonds (distance) C4'-P energy: -66.054 bonds (distance) P-C4' energy: -66.208 flat angles C4'-P-C4' energy: -53.296 flat angles P-C4'-P energy: -37.812 tors. eta vs tors. theta energy: 0.401 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: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -409.287830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.287830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.287830 (E_RNA) where: Base-Base interactions energy: -157.487 where: short stacking energy: -110.939 Base-Backbone interact. energy: -1.381 local terms energy: -250.419738 where: bonds (distance) C4'-P energy: -68.650 bonds (distance) P-C4' energy: -72.577 flat angles C4'-P-C4' energy: -68.401 flat angles P-C4'-P energy: -41.576 tors. eta vs tors. theta energy: 0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -318.543935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.543935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.543935 (E_RNA) where: Base-Base interactions energy: -132.751 where: short stacking energy: -109.258 Base-Backbone interact. energy: -1.371 local terms energy: -184.422357 where: bonds (distance) C4'-P energy: -46.743 bonds (distance) P-C4' energy: -64.582 flat angles C4'-P-C4' energy: -49.915 flat angles P-C4'-P energy: -23.831 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1341.273161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.273161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.273161 (E_RNA) where: Base-Base interactions energy: -906.139 where: short stacking energy: -389.050 Base-Backbone interact. energy: -0.481 local terms energy: -434.653370 where: bonds (distance) C4'-P energy: -88.821 bonds (distance) P-C4' energy: -79.051 flat angles C4'-P-C4' energy: -86.431 flat angles P-C4'-P energy: -60.083 tors. eta vs tors. theta energy: -120.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1217.092455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.092455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.092455 (E_RNA) where: Base-Base interactions energy: -807.342 where: short stacking energy: -363.995 Base-Backbone interact. energy: -0.945 local terms energy: -408.805884 where: bonds (distance) C4'-P energy: -72.200 bonds (distance) P-C4' energy: -90.584 flat angles C4'-P-C4' energy: -80.237 flat angles P-C4'-P energy: -59.786 tors. eta vs tors. theta energy: -105.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1161.784152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.784152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.784152 (E_RNA) where: Base-Base interactions energy: -773.226 where: short stacking energy: -358.875 Base-Backbone interact. energy: -2.727 local terms energy: -385.830855 where: bonds (distance) C4'-P energy: -66.555 bonds (distance) P-C4' energy: -72.274 flat angles C4'-P-C4' energy: -87.900 flat angles P-C4'-P energy: -49.978 tors. eta vs tors. theta energy: -109.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1151.754944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.754944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.754944 (E_RNA) where: Base-Base interactions energy: -753.652 where: short stacking energy: -329.754 Base-Backbone interact. energy: -0.412 local terms energy: -397.690096 where: bonds (distance) C4'-P energy: -70.735 bonds (distance) P-C4' energy: -83.038 flat angles C4'-P-C4' energy: -74.391 flat angles P-C4'-P energy: -61.986 tors. eta vs tors. theta energy: -107.538 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: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1050.625395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.625395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.625395 (E_RNA) where: Base-Base interactions energy: -690.205 where: short stacking energy: -302.371 Base-Backbone interact. energy: -4.494 local terms energy: -355.926317 where: bonds (distance) C4'-P energy: -66.514 bonds (distance) P-C4' energy: -73.741 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -58.410 tors. eta vs tors. theta energy: -75.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -823.292476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.292476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.292476 (E_RNA) where: Base-Base interactions energy: -521.922 where: short stacking energy: -242.740 Base-Backbone interact. energy: -1.285 local terms energy: -300.085754 where: bonds (distance) C4'-P energy: -66.575 bonds (distance) P-C4' energy: -68.936 flat angles C4'-P-C4' energy: -78.264 flat angles P-C4'-P energy: -25.459 tors. eta vs tors. theta energy: -60.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -715.783059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.783059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.783059 (E_RNA) where: Base-Base interactions energy: -429.107 where: short stacking energy: -193.796 Base-Backbone interact. energy: -0.443 local terms energy: -286.234036 where: bonds (distance) C4'-P energy: -70.379 bonds (distance) P-C4' energy: -76.774 flat angles C4'-P-C4' energy: -83.257 flat angles P-C4'-P energy: -24.489 tors. eta vs tors. theta energy: -31.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -390.231342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.231342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.231342 (E_RNA) where: Base-Base interactions energy: -141.101 where: short stacking energy: -130.285 Base-Backbone interact. energy: -0.593 local terms energy: -248.538006 where: bonds (distance) C4'-P energy: -76.133 bonds (distance) P-C4' energy: -79.071 flat angles C4'-P-C4' energy: -56.821 flat angles P-C4'-P energy: -34.173 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -323.611597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.611597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.611597 (E_RNA) where: Base-Base interactions energy: -125.102 where: short stacking energy: -97.572 Base-Backbone interact. energy: 4.367 local terms energy: -202.875844 where: bonds (distance) C4'-P energy: -49.395 bonds (distance) P-C4' energy: -50.957 flat angles C4'-P-C4' energy: -60.356 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: 1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -313.766035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.766035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.766035 (E_RNA) where: Base-Base interactions energy: -108.751 where: short stacking energy: -82.157 Base-Backbone interact. energy: -0.935 local terms energy: -204.079573 where: bonds (distance) C4'-P energy: -57.270 bonds (distance) P-C4' energy: -67.467 flat angles C4'-P-C4' energy: -49.735 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: 4.038 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: 1, replica: 3 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1344.186538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.186538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.186538 (E_RNA) where: Base-Base interactions energy: -913.495 where: short stacking energy: -404.117 Base-Backbone interact. energy: -1.611 local terms energy: -429.080739 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -75.360 flat angles C4'-P-C4' energy: -97.082 flat angles P-C4'-P energy: -63.986 tors. eta vs tors. theta energy: -116.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1225.802878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.802878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.802878 (E_RNA) where: Base-Base interactions energy: -815.569 where: short stacking energy: -375.166 Base-Backbone interact. energy: -1.935 local terms energy: -408.299775 where: bonds (distance) C4'-P energy: -77.453 bonds (distance) P-C4' energy: -76.074 flat angles C4'-P-C4' energy: -77.485 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: -120.164 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: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1178.980197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.980197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.980197 (E_RNA) where: Base-Base interactions energy: -797.234 where: short stacking energy: -359.330 Base-Backbone interact. energy: 0.604 local terms energy: -382.349973 where: bonds (distance) C4'-P energy: -71.274 bonds (distance) P-C4' energy: -65.153 flat angles C4'-P-C4' energy: -88.030 flat angles P-C4'-P energy: -57.370 tors. eta vs tors. theta energy: -100.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1160.882969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.882969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.882969 (E_RNA) where: Base-Base interactions energy: -782.659 where: short stacking energy: -348.112 Base-Backbone interact. energy: -2.537 local terms energy: -375.687584 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -55.399 flat angles C4'-P-C4' energy: -84.129 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -103.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1019.437613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.437613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.437613 (E_RNA) where: Base-Base interactions energy: -677.827 where: short stacking energy: -305.165 Base-Backbone interact. energy: 0.050 local terms energy: -341.660739 where: bonds (distance) C4'-P energy: -57.305 bonds (distance) P-C4' energy: -78.466 flat angles C4'-P-C4' energy: -76.990 flat angles P-C4'-P energy: -43.612 tors. eta vs tors. theta energy: -85.288 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: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -821.073345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.073345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.073345 (E_RNA) where: Base-Base interactions energy: -539.192 where: short stacking energy: -250.986 Base-Backbone interact. energy: 1.428 local terms energy: -283.309124 where: bonds (distance) C4'-P energy: -59.319 bonds (distance) P-C4' energy: -60.468 flat angles C4'-P-C4' energy: -65.982 flat angles P-C4'-P energy: -38.829 tors. eta vs tors. theta energy: -58.711 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: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -737.254744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.254744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.254744 (E_RNA) where: Base-Base interactions energy: -438.542 where: short stacking energy: -216.724 Base-Backbone interact. energy: 1.904 local terms energy: -300.616791 where: bonds (distance) C4'-P energy: -75.868 bonds (distance) P-C4' energy: -75.262 flat angles C4'-P-C4' energy: -63.936 flat angles P-C4'-P energy: -38.734 tors. eta vs tors. theta energy: -46.817 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: 8, replica: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -380.727154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.727154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.727154 (E_RNA) where: Base-Base interactions energy: -124.114 where: short stacking energy: -103.824 Base-Backbone interact. energy: -0.019 local terms energy: -256.594698 where: bonds (distance) C4'-P energy: -72.899 bonds (distance) P-C4' energy: -80.054 flat angles C4'-P-C4' energy: -67.218 flat angles P-C4'-P energy: -38.178 tors. eta vs tors. theta energy: 1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -322.617796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.617796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.617796 (E_RNA) where: Base-Base interactions energy: -105.845 where: short stacking energy: -83.274 Base-Backbone interact. energy: -0.678 local terms energy: -216.095431 where: bonds (distance) C4'-P energy: -63.417 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -60.349 flat angles P-C4'-P energy: -30.964 tors. eta vs tors. theta energy: 18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -359.707794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.707794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.707794 (E_RNA) where: Base-Base interactions energy: -155.167 where: short stacking energy: -109.465 Base-Backbone interact. energy: 1.184 local terms energy: -205.724890 where: bonds (distance) C4'-P energy: -57.616 bonds (distance) P-C4' energy: -54.452 flat angles C4'-P-C4' energy: -60.083 flat angles P-C4'-P energy: -38.843 tors. eta vs tors. theta energy: 5.269 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: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1348.558572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.558572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.558572 (E_RNA) where: Base-Base interactions energy: -922.694 where: short stacking energy: -387.660 Base-Backbone interact. energy: -1.748 local terms energy: -424.115756 where: bonds (distance) C4'-P energy: -76.940 bonds (distance) P-C4' energy: -87.998 flat angles C4'-P-C4' energy: -89.671 flat angles P-C4'-P energy: -57.628 tors. eta vs tors. theta energy: -111.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1233.407486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.407486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.407486 (E_RNA) where: Base-Base interactions energy: -806.837 where: short stacking energy: -372.325 Base-Backbone interact. energy: -0.461 local terms energy: -426.110028 where: bonds (distance) C4'-P energy: -79.608 bonds (distance) P-C4' energy: -76.176 flat angles C4'-P-C4' energy: -96.851 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -110.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1212.670868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.670868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.670868 (E_RNA) where: Base-Base interactions energy: -799.444 where: short stacking energy: -331.026 Base-Backbone interact. energy: -0.966 local terms energy: -412.261062 where: bonds (distance) C4'-P energy: -79.686 bonds (distance) P-C4' energy: -77.683 flat angles C4'-P-C4' energy: -87.150 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -108.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1145.983431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.983431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.983431 (E_RNA) where: Base-Base interactions energy: -735.172 where: short stacking energy: -324.091 Base-Backbone interact. energy: -1.479 local terms energy: -409.331896 where: bonds (distance) C4'-P energy: -83.539 bonds (distance) P-C4' energy: -79.159 flat angles C4'-P-C4' energy: -80.273 flat angles P-C4'-P energy: -62.378 tors. eta vs tors. theta energy: -103.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -996.346079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.346079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.346079 (E_RNA) where: Base-Base interactions energy: -653.034 where: short stacking energy: -284.238 Base-Backbone interact. energy: 0.583 local terms energy: -343.895488 where: bonds (distance) C4'-P energy: -72.947 bonds (distance) P-C4' energy: -55.867 flat angles C4'-P-C4' energy: -84.000 flat angles P-C4'-P energy: -49.353 tors. eta vs tors. theta energy: -81.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -801.511099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.511099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.511099 (E_RNA) where: Base-Base interactions energy: -518.658 where: short stacking energy: -226.743 Base-Backbone interact. energy: -0.437 local terms energy: -282.415616 where: bonds (distance) C4'-P energy: -69.690 bonds (distance) P-C4' energy: -65.118 flat angles C4'-P-C4' energy: -73.737 flat angles P-C4'-P energy: -36.314 tors. eta vs tors. theta energy: -37.557 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: 7, replica: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -769.116902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.116902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.116902 (E_RNA) where: Base-Base interactions energy: -461.638 where: short stacking energy: -200.874 Base-Backbone interact. energy: 0.480 local terms energy: -307.959018 where: bonds (distance) C4'-P energy: -55.642 bonds (distance) P-C4' energy: -86.074 flat angles C4'-P-C4' energy: -66.752 flat angles P-C4'-P energy: -54.568 tors. eta vs tors. theta energy: -44.923 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: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -395.162371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.162371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.162371 (E_RNA) where: Base-Base interactions energy: -158.966 where: short stacking energy: -109.169 Base-Backbone interact. energy: -2.026 local terms energy: -234.170183 where: bonds (distance) C4'-P energy: -69.376 bonds (distance) P-C4' energy: -65.426 flat angles C4'-P-C4' energy: -55.675 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: 8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -331.215905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.215905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.215905 (E_RNA) where: Base-Base interactions energy: -112.610 where: short stacking energy: -83.207 Base-Backbone interact. energy: 0.740 local terms energy: -219.345803 where: bonds (distance) C4'-P energy: -54.556 bonds (distance) P-C4' energy: -68.626 flat angles C4'-P-C4' energy: -56.683 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: 2.989 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: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -320.491397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.491397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.491397 (E_RNA) where: Base-Base interactions energy: -147.616 where: short stacking energy: -91.214 Base-Backbone interact. energy: -0.980 local terms energy: -171.895405 where: bonds (distance) C4'-P energy: -55.773 bonds (distance) P-C4' energy: -84.038 flat angles C4'-P-C4' energy: -37.312 flat angles P-C4'-P energy: -15.717 tors. eta vs tors. theta energy: 20.946 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: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1348.901642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.901642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.901642 (E_RNA) where: Base-Base interactions energy: -920.688 where: short stacking energy: -362.081 Base-Backbone interact. energy: -1.709 local terms energy: -426.504118 where: bonds (distance) C4'-P energy: -73.227 bonds (distance) P-C4' energy: -87.570 flat angles C4'-P-C4' energy: -91.979 flat angles P-C4'-P energy: -64.895 tors. eta vs tors. theta energy: -108.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1268.726231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.726231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.726231 (E_RNA) where: Base-Base interactions energy: -846.784 where: short stacking energy: -379.404 Base-Backbone interact. energy: -1.747 local terms energy: -420.194396 where: bonds (distance) C4'-P energy: -70.708 bonds (distance) P-C4' energy: -75.077 flat angles C4'-P-C4' energy: -85.145 flat angles P-C4'-P energy: -67.522 tors. eta vs tors. theta energy: -121.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1198.609695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.609695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.609695 (E_RNA) where: Base-Base interactions energy: -787.045 where: short stacking energy: -353.099 Base-Backbone interact. energy: 0.014 local terms energy: -411.578952 where: bonds (distance) C4'-P energy: -77.619 bonds (distance) P-C4' energy: -77.383 flat angles C4'-P-C4' energy: -91.612 flat angles P-C4'-P energy: -55.185 tors. eta vs tors. theta energy: -109.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1164.511705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.511705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.511705 (E_RNA) where: Base-Base interactions energy: -780.466 where: short stacking energy: -336.660 Base-Backbone interact. energy: -1.434 local terms energy: -382.611806 where: bonds (distance) C4'-P energy: -59.003 bonds (distance) P-C4' energy: -74.376 flat angles C4'-P-C4' energy: -88.228 flat angles P-C4'-P energy: -57.869 tors. eta vs tors. theta energy: -103.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1054.805754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.805754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.805754 (E_RNA) where: Base-Base interactions energy: -678.359 where: short stacking energy: -296.443 Base-Backbone interact. energy: -2.822 local terms energy: -373.625194 where: bonds (distance) C4'-P energy: -78.006 bonds (distance) P-C4' energy: -77.146 flat angles C4'-P-C4' energy: -77.965 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: -94.617 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: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -832.921130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.921130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.921130 (E_RNA) where: Base-Base interactions energy: -512.607 where: short stacking energy: -225.482 Base-Backbone interact. energy: 1.725 local terms energy: -322.038948 where: bonds (distance) C4'-P energy: -70.346 bonds (distance) P-C4' energy: -65.310 flat angles C4'-P-C4' energy: -79.211 flat angles P-C4'-P energy: -59.971 tors. eta vs tors. theta energy: -47.200 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: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -766.490777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.490777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.490777 (E_RNA) where: Base-Base interactions energy: -477.780 where: short stacking energy: -237.722 Base-Backbone interact. energy: -1.359 local terms energy: -287.351140 where: bonds (distance) C4'-P energy: -69.936 bonds (distance) P-C4' energy: -58.309 flat angles C4'-P-C4' energy: -72.406 flat angles P-C4'-P energy: -39.089 tors. eta vs tors. theta energy: -47.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -377.171452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.171452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.171452 (E_RNA) where: Base-Base interactions energy: -170.754 where: short stacking energy: -115.846 Base-Backbone interact. energy: 3.029 local terms energy: -209.447249 where: bonds (distance) C4'-P energy: -61.428 bonds (distance) P-C4' energy: -57.174 flat angles C4'-P-C4' energy: -53.149 flat angles P-C4'-P energy: -39.558 tors. eta vs tors. theta energy: 1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -351.783676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.783676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.783676 (E_RNA) where: Base-Base interactions energy: -134.038 where: short stacking energy: -108.924 Base-Backbone interact. energy: -2.609 local terms energy: -215.136249 where: bonds (distance) C4'-P energy: -61.482 bonds (distance) P-C4' energy: -64.941 flat angles C4'-P-C4' energy: -64.547 flat angles P-C4'-P energy: -26.870 tors. eta vs tors. theta energy: 2.704 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: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -305.680423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.680423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.680423 (E_RNA) where: Base-Base interactions energy: -99.345 where: short stacking energy: -82.324 Base-Backbone interact. energy: 0.142 local terms energy: -206.477826 where: bonds (distance) C4'-P energy: -75.619 bonds (distance) P-C4' energy: -69.084 flat angles C4'-P-C4' energy: -53.301 flat angles P-C4'-P energy: -25.564 tors. eta vs tors. theta energy: 17.091 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: 400 Temperature: 0.900000 Total energy: -1379.121910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.121910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.121910 (E_RNA) where: Base-Base interactions energy: -967.659 where: short stacking energy: -366.012 Base-Backbone interact. energy: -1.417 local terms energy: -410.045766 where: bonds (distance) C4'-P energy: -81.268 bonds (distance) P-C4' energy: -83.636 flat angles C4'-P-C4' energy: -83.019 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: -114.192 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: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1261.046063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.046063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.046063 (E_RNA) where: Base-Base interactions energy: -854.221 where: short stacking energy: -363.599 Base-Backbone interact. energy: 1.068 local terms energy: -407.893007 where: bonds (distance) C4'-P energy: -77.120 bonds (distance) P-C4' energy: -80.057 flat angles C4'-P-C4' energy: -79.412 flat angles P-C4'-P energy: -59.403 tors. eta vs tors. theta energy: -111.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1194.446536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.446536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.446536 (E_RNA) where: Base-Base interactions energy: -786.450 where: short stacking energy: -352.754 Base-Backbone interact. energy: 0.118 local terms energy: -408.114064 where: bonds (distance) C4'-P energy: -77.938 bonds (distance) P-C4' energy: -81.157 flat angles C4'-P-C4' energy: -87.395 flat angles P-C4'-P energy: -50.310 tors. eta vs tors. theta energy: -111.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1149.094250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.094250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.094250 (E_RNA) where: Base-Base interactions energy: -746.455 where: short stacking energy: -315.494 Base-Backbone interact. energy: -3.693 local terms energy: -398.945605 where: bonds (distance) C4'-P energy: -82.156 bonds (distance) P-C4' energy: -74.979 flat angles C4'-P-C4' energy: -73.930 flat angles P-C4'-P energy: -66.170 tors. eta vs tors. theta energy: -101.711 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: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1044.656108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.656108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.656108 (E_RNA) where: Base-Base interactions energy: -670.529 where: short stacking energy: -311.007 Base-Backbone interact. energy: -0.019 local terms energy: -374.107849 where: bonds (distance) C4'-P energy: -76.774 bonds (distance) P-C4' energy: -68.592 flat angles C4'-P-C4' energy: -80.601 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -94.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -835.898387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.898387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.898387 (E_RNA) where: Base-Base interactions energy: -541.322 where: short stacking energy: -253.077 Base-Backbone interact. energy: -2.700 local terms energy: -291.875954 where: bonds (distance) C4'-P energy: -63.909 bonds (distance) P-C4' energy: -59.112 flat angles C4'-P-C4' energy: -71.682 flat angles P-C4'-P energy: -46.756 tors. eta vs tors. theta energy: -50.417 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: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -750.744899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.744899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.744899 (E_RNA) where: Base-Base interactions energy: -443.675 where: short stacking energy: -217.861 Base-Backbone interact. energy: -3.868 local terms energy: -303.201553 where: bonds (distance) C4'-P energy: -76.335 bonds (distance) P-C4' energy: -63.213 flat angles C4'-P-C4' energy: -68.558 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -45.119 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: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -432.096497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.096497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.096497 (E_RNA) where: Base-Base interactions energy: -209.542 where: short stacking energy: -123.159 Base-Backbone interact. energy: 2.717 local terms energy: -225.272251 where: bonds (distance) C4'-P energy: -56.678 bonds (distance) P-C4' energy: -49.107 flat angles C4'-P-C4' energy: -69.932 flat angles P-C4'-P energy: -48.588 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -333.706858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.706858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.706858 (E_RNA) where: Base-Base interactions energy: -134.909 where: short stacking energy: -99.829 Base-Backbone interact. energy: 0.642 local terms energy: -199.439771 where: bonds (distance) C4'-P energy: -61.221 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -41.995 flat angles P-C4'-P energy: -31.284 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -320.643860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.643860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.643860 (E_RNA) where: Base-Base interactions energy: -90.974 where: short stacking energy: -62.507 Base-Backbone interact. energy: -1.012 local terms energy: -228.657383 where: bonds (distance) C4'-P energy: -57.725 bonds (distance) P-C4' energy: -78.379 flat angles C4'-P-C4' energy: -57.765 flat angles P-C4'-P energy: -49.126 tors. eta vs tors. theta energy: 14.337 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: 401 Temperature: 0.900000 Total energy: -1373.826910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.826910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.826910 (E_RNA) where: Base-Base interactions energy: -944.384 where: short stacking energy: -387.633 Base-Backbone interact. energy: -1.735 local terms energy: -427.708765 where: bonds (distance) C4'-P energy: -82.314 bonds (distance) P-C4' energy: -79.853 flat angles C4'-P-C4' energy: -96.065 flat angles P-C4'-P energy: -54.461 tors. eta vs tors. theta energy: -115.015 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: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1286.912503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.912503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.912503 (E_RNA) where: Base-Base interactions energy: -858.304 where: short stacking energy: -358.335 Base-Backbone interact. energy: -1.870 local terms energy: -426.738259 where: bonds (distance) C4'-P energy: -85.408 bonds (distance) P-C4' energy: -86.125 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -61.209 tors. eta vs tors. theta energy: -108.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1158.138792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.138792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.138792 (E_RNA) where: Base-Base interactions energy: -755.425 where: short stacking energy: -338.843 Base-Backbone interact. energy: -0.575 local terms energy: -402.138390 where: bonds (distance) C4'-P energy: -75.551 bonds (distance) P-C4' energy: -66.262 flat angles C4'-P-C4' energy: -92.423 flat angles P-C4'-P energy: -64.425 tors. eta vs tors. theta energy: -103.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1114.722563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.722563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.722563 (E_RNA) where: Base-Base interactions energy: -756.711 where: short stacking energy: -338.356 Base-Backbone interact. energy: -1.695 local terms energy: -356.317144 where: bonds (distance) C4'-P energy: -54.622 bonds (distance) P-C4' energy: -67.242 flat angles C4'-P-C4' energy: -80.660 flat angles P-C4'-P energy: -58.495 tors. eta vs tors. theta energy: -95.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1031.329679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.329679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.329679 (E_RNA) where: Base-Base interactions energy: -677.206 where: short stacking energy: -290.387 Base-Backbone interact. energy: -1.021 local terms energy: -353.102937 where: bonds (distance) C4'-P energy: -73.921 bonds (distance) P-C4' energy: -67.692 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -56.519 tors. eta vs tors. theta energy: -77.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -867.364833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.364833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.364833 (E_RNA) where: Base-Base interactions energy: -541.217 where: short stacking energy: -245.101 Base-Backbone interact. energy: -0.464 local terms energy: -325.684247 where: bonds (distance) C4'-P energy: -67.999 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -62.702 flat angles P-C4'-P energy: -55.674 tors. eta vs tors. theta energy: -62.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -778.271660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.271660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.271660 (E_RNA) where: Base-Base interactions energy: -471.518 where: short stacking energy: -224.703 Base-Backbone interact. energy: -0.105 local terms energy: -306.649252 where: bonds (distance) C4'-P energy: -69.832 bonds (distance) P-C4' energy: -66.588 flat angles C4'-P-C4' energy: -79.987 flat angles P-C4'-P energy: -38.446 tors. eta vs tors. theta energy: -51.797 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: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -421.667871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.667871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.667871 (E_RNA) where: Base-Base interactions energy: -176.532 where: short stacking energy: -123.804 Base-Backbone interact. energy: -2.032 local terms energy: -243.104142 where: bonds (distance) C4'-P energy: -80.370 bonds (distance) P-C4' energy: -61.376 flat angles C4'-P-C4' energy: -51.039 flat angles P-C4'-P energy: -42.330 tors. eta vs tors. theta energy: -7.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -371.838310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.838310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.838310 (E_RNA) where: Base-Base interactions energy: -132.669 where: short stacking energy: -103.111 Base-Backbone interact. energy: 0.559 local terms energy: -239.729114 where: bonds (distance) C4'-P energy: -67.010 bonds (distance) P-C4' energy: -75.917 flat angles C4'-P-C4' energy: -67.744 flat angles P-C4'-P energy: -36.141 tors. eta vs tors. theta energy: 7.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -316.659561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.659561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.659561 (E_RNA) where: Base-Base interactions energy: -114.203 where: short stacking energy: -85.047 Base-Backbone interact. energy: -0.526 local terms energy: -201.930153 where: bonds (distance) C4'-P energy: -57.871 bonds (distance) P-C4' energy: -60.619 flat angles C4'-P-C4' energy: -44.990 flat angles P-C4'-P energy: -47.717 tors. eta vs tors. theta energy: 9.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1349.052430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.052430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.052430 (E_RNA) where: Base-Base interactions energy: -936.122 where: short stacking energy: -376.605 Base-Backbone interact. energy: -1.222 local terms energy: -411.708895 where: bonds (distance) C4'-P energy: -76.264 bonds (distance) P-C4' energy: -78.668 flat angles C4'-P-C4' energy: -84.921 flat angles P-C4'-P energy: -59.122 tors. eta vs tors. theta energy: -112.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1246.591085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.591085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.591085 (E_RNA) where: Base-Base interactions energy: -832.469 where: short stacking energy: -368.570 Base-Backbone interact. energy: -1.457 local terms energy: -412.664294 where: bonds (distance) C4'-P energy: -81.631 bonds (distance) P-C4' energy: -82.620 flat angles C4'-P-C4' energy: -83.115 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -111.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1184.279544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.279544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.279544 (E_RNA) where: Base-Base interactions energy: -790.266 where: short stacking energy: -332.920 Base-Backbone interact. energy: -2.489 local terms energy: -391.524384 where: bonds (distance) C4'-P energy: -74.801 bonds (distance) P-C4' energy: -76.621 flat angles C4'-P-C4' energy: -83.113 flat angles P-C4'-P energy: -46.738 tors. eta vs tors. theta energy: -110.251 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: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1166.915999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.915999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.915999 (E_RNA) where: Base-Base interactions energy: -779.435 where: short stacking energy: -332.338 Base-Backbone interact. energy: -1.443 local terms energy: -386.037895 where: bonds (distance) C4'-P energy: -76.954 bonds (distance) P-C4' energy: -75.491 flat angles C4'-P-C4' energy: -88.262 flat angles P-C4'-P energy: -48.296 tors. eta vs tors. theta energy: -97.036 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: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1068.516709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.516709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.516709 (E_RNA) where: Base-Base interactions energy: -704.694 where: short stacking energy: -311.996 Base-Backbone interact. energy: 4.278 local terms energy: -368.100643 where: bonds (distance) C4'-P energy: -77.986 bonds (distance) P-C4' energy: -55.787 flat angles C4'-P-C4' energy: -82.951 flat angles P-C4'-P energy: -50.047 tors. eta vs tors. theta energy: -101.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -883.623922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.623922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.623922 (E_RNA) where: Base-Base interactions energy: -538.517 where: short stacking energy: -258.248 Base-Backbone interact. energy: -1.141 local terms energy: -343.965723 where: bonds (distance) C4'-P energy: -72.510 bonds (distance) P-C4' energy: -76.227 flat angles C4'-P-C4' energy: -87.255 flat angles P-C4'-P energy: -49.849 tors. eta vs tors. theta energy: -58.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -751.778488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.778488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.778488 (E_RNA) where: Base-Base interactions energy: -454.569 where: short stacking energy: -221.580 Base-Backbone interact. energy: -0.078 local terms energy: -297.131492 where: bonds (distance) C4'-P energy: -62.440 bonds (distance) P-C4' energy: -73.742 flat angles C4'-P-C4' energy: -69.599 flat angles P-C4'-P energy: -40.534 tors. eta vs tors. theta energy: -50.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -451.817569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.817569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.817569 (E_RNA) where: Base-Base interactions energy: -214.298 where: short stacking energy: -140.457 Base-Backbone interact. energy: 0.373 local terms energy: -237.892155 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -71.691 flat angles C4'-P-C4' energy: -61.730 flat angles P-C4'-P energy: -40.620 tors. eta vs tors. theta energy: 2.423 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: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -370.112969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.112969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.112969 (E_RNA) where: Base-Base interactions energy: -145.990 where: short stacking energy: -111.896 Base-Backbone interact. energy: -0.740 local terms energy: -223.383294 where: bonds (distance) C4'-P energy: -57.608 bonds (distance) P-C4' energy: -76.588 flat angles C4'-P-C4' energy: -55.797 flat angles P-C4'-P energy: -36.343 tors. eta vs tors. theta energy: 2.953 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: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -327.094868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.094868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.094868 (E_RNA) where: Base-Base interactions energy: -91.250 where: short stacking energy: -81.083 Base-Backbone interact. energy: -3.312 local terms energy: -232.533212 where: bonds (distance) C4'-P energy: -70.977 bonds (distance) P-C4' energy: -59.061 flat angles C4'-P-C4' energy: -66.078 flat angles P-C4'-P energy: -35.599 tors. eta vs tors. theta energy: -0.818 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: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1348.517996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.517996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.517996 (E_RNA) where: Base-Base interactions energy: -940.506 where: short stacking energy: -381.699 Base-Backbone interact. energy: -2.576 local terms energy: -405.436060 where: bonds (distance) C4'-P energy: -79.426 bonds (distance) P-C4' energy: -75.490 flat angles C4'-P-C4' energy: -90.170 flat angles P-C4'-P energy: -48.528 tors. eta vs tors. theta energy: -111.823 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: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1222.941266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.941266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.941266 (E_RNA) where: Base-Base interactions energy: -820.884 where: short stacking energy: -357.326 Base-Backbone interact. energy: -0.672 local terms energy: -401.385738 where: bonds (distance) C4'-P energy: -77.536 bonds (distance) P-C4' energy: -65.727 flat angles C4'-P-C4' energy: -86.823 flat angles P-C4'-P energy: -57.249 tors. eta vs tors. theta energy: -114.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1223.691760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.691760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.691760 (E_RNA) where: Base-Base interactions energy: -806.915 where: short stacking energy: -356.294 Base-Backbone interact. energy: -1.297 local terms energy: -415.479813 where: bonds (distance) C4'-P energy: -77.212 bonds (distance) P-C4' energy: -81.532 flat angles C4'-P-C4' energy: -90.140 flat angles P-C4'-P energy: -50.180 tors. eta vs tors. theta energy: -116.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1147.879802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.879802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.879802 (E_RNA) where: Base-Base interactions energy: -733.902 where: short stacking energy: -317.574 Base-Backbone interact. energy: -0.832 local terms energy: -413.146328 where: bonds (distance) C4'-P energy: -81.048 bonds (distance) P-C4' energy: -74.458 flat angles C4'-P-C4' energy: -91.870 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: -103.091 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: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1071.156045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.156045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.156045 (E_RNA) where: Base-Base interactions energy: -703.651 where: short stacking energy: -323.389 Base-Backbone interact. energy: -0.327 local terms energy: -367.177877 where: bonds (distance) C4'-P energy: -61.798 bonds (distance) P-C4' energy: -77.338 flat angles C4'-P-C4' energy: -79.472 flat angles P-C4'-P energy: -56.512 tors. eta vs tors. theta energy: -92.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -811.027250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.027250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.027250 (E_RNA) where: Base-Base interactions energy: -497.674 where: short stacking energy: -234.083 Base-Backbone interact. energy: -1.335 local terms energy: -312.018488 where: bonds (distance) C4'-P energy: -56.026 bonds (distance) P-C4' energy: -80.111 flat angles C4'-P-C4' energy: -76.992 flat angles P-C4'-P energy: -38.772 tors. eta vs tors. theta energy: -60.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -839.007276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.007276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.007276 (E_RNA) where: Base-Base interactions energy: -548.096 where: short stacking energy: -248.553 Base-Backbone interact. energy: 0.095 local terms energy: -291.006491 where: bonds (distance) C4'-P energy: -62.312 bonds (distance) P-C4' energy: -61.427 flat angles C4'-P-C4' energy: -54.108 flat angles P-C4'-P energy: -48.471 tors. eta vs tors. theta energy: -64.688 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: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -416.550741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.550741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.550741 (E_RNA) where: Base-Base interactions energy: -184.390 where: short stacking energy: -126.858 Base-Backbone interact. energy: 5.528 local terms energy: -237.688606 where: bonds (distance) C4'-P energy: -57.376 bonds (distance) P-C4' energy: -77.128 flat angles C4'-P-C4' energy: -59.772 flat angles P-C4'-P energy: -47.009 tors. eta vs tors. theta energy: 3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -423.041833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.041833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.041833 (E_RNA) where: Base-Base interactions energy: -197.344 where: short stacking energy: -120.576 Base-Backbone interact. energy: -1.736 local terms energy: -223.961355 where: bonds (distance) C4'-P energy: -63.080 bonds (distance) P-C4' energy: -72.164 flat angles C4'-P-C4' energy: -60.166 flat angles P-C4'-P energy: -26.233 tors. eta vs tors. theta energy: -2.318 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: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -314.602994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.602994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.602994 (E_RNA) where: Base-Base interactions energy: -99.053 where: short stacking energy: -79.433 Base-Backbone interact. energy: 1.716 local terms energy: -217.265535 where: bonds (distance) C4'-P energy: -80.036 bonds (distance) P-C4' energy: -75.504 flat angles C4'-P-C4' energy: -56.952 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: 2.361 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: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1373.708517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.708517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.708517 (E_RNA) where: Base-Base interactions energy: -937.185 where: short stacking energy: -388.929 Base-Backbone interact. energy: 0.021 local terms energy: -436.544587 where: bonds (distance) C4'-P energy: -80.203 bonds (distance) P-C4' energy: -89.201 flat angles C4'-P-C4' energy: -89.351 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -115.369 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: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1222.891570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.891570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.891570 (E_RNA) where: Base-Base interactions energy: -815.181 where: short stacking energy: -369.055 Base-Backbone interact. energy: -0.080 local terms energy: -407.630798 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -74.640 flat angles C4'-P-C4' energy: -86.585 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -113.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1209.765254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.765254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.765254 (E_RNA) where: Base-Base interactions energy: -815.269 where: short stacking energy: -347.524 Base-Backbone interact. energy: 1.608 local terms energy: -396.104619 where: bonds (distance) C4'-P energy: -77.716 bonds (distance) P-C4' energy: -77.614 flat angles C4'-P-C4' energy: -81.937 flat angles P-C4'-P energy: -46.364 tors. eta vs tors. theta energy: -112.474 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: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1150.060892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.060892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.060892 (E_RNA) where: Base-Base interactions energy: -755.347 where: short stacking energy: -316.171 Base-Backbone interact. energy: 1.252 local terms energy: -395.965999 where: bonds (distance) C4'-P energy: -77.086 bonds (distance) P-C4' energy: -80.012 flat angles C4'-P-C4' energy: -88.655 flat angles P-C4'-P energy: -49.366 tors. eta vs tors. theta energy: -100.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1049.795547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.795547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.795547 (E_RNA) where: Base-Base interactions energy: -695.111 where: short stacking energy: -313.391 Base-Backbone interact. energy: -0.258 local terms energy: -354.425995 where: bonds (distance) C4'-P energy: -64.385 bonds (distance) P-C4' energy: -60.718 flat angles C4'-P-C4' energy: -80.709 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -94.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -796.388584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.388584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.388584 (E_RNA) where: Base-Base interactions energy: -488.848 where: short stacking energy: -209.068 Base-Backbone interact. energy: -2.855 local terms energy: -304.685692 where: bonds (distance) C4'-P energy: -72.446 bonds (distance) P-C4' energy: -74.338 flat angles C4'-P-C4' energy: -70.630 flat angles P-C4'-P energy: -51.119 tors. eta vs tors. theta energy: -36.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -745.580120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.580120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.580120 (E_RNA) where: Base-Base interactions energy: -451.462 where: short stacking energy: -217.562 Base-Backbone interact. energy: 0.734 local terms energy: -294.851945 where: bonds (distance) C4'-P energy: -67.669 bonds (distance) P-C4' energy: -60.543 flat angles C4'-P-C4' energy: -55.621 flat angles P-C4'-P energy: -56.691 tors. eta vs tors. theta energy: -54.328 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: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -433.369623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.369623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.369623 (E_RNA) where: Base-Base interactions energy: -181.357 where: short stacking energy: -109.068 Base-Backbone interact. energy: -0.064 local terms energy: -251.948399 where: bonds (distance) C4'-P energy: -64.944 bonds (distance) P-C4' energy: -65.382 flat angles C4'-P-C4' energy: -69.047 flat angles P-C4'-P energy: -40.426 tors. eta vs tors. theta energy: -12.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -317.046545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.046545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.046545 (E_RNA) where: Base-Base interactions energy: -109.527 where: short stacking energy: -93.409 Base-Backbone interact. energy: -0.576 local terms energy: -206.943561 where: bonds (distance) C4'-P energy: -64.132 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -56.232 flat angles P-C4'-P energy: -32.906 tors. eta vs tors. theta energy: 7.442 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: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -324.608290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.608290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.608290 (E_RNA) where: Base-Base interactions energy: -103.769 where: short stacking energy: -93.655 Base-Backbone interact. energy: -0.962 local terms energy: -219.877091 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -66.099 flat angles C4'-P-C4' energy: -56.733 flat angles P-C4'-P energy: -26.710 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: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1347.890007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.890007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.890007 (E_RNA) where: Base-Base interactions energy: -916.908 where: short stacking energy: -382.002 Base-Backbone interact. energy: -3.379 local terms energy: -427.603126 where: bonds (distance) C4'-P energy: -83.980 bonds (distance) P-C4' energy: -78.163 flat angles C4'-P-C4' energy: -91.545 flat angles P-C4'-P energy: -63.245 tors. eta vs tors. theta energy: -110.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1250.861261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.861261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.861261 (E_RNA) where: Base-Base interactions energy: -848.363 where: short stacking energy: -359.250 Base-Backbone interact. energy: -2.178 local terms energy: -400.320899 where: bonds (distance) C4'-P energy: -66.959 bonds (distance) P-C4' energy: -81.646 flat angles C4'-P-C4' energy: -93.209 flat angles P-C4'-P energy: -57.832 tors. eta vs tors. theta energy: -100.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1209.077130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.077130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.077130 (E_RNA) where: Base-Base interactions energy: -810.535 where: short stacking energy: -354.596 Base-Backbone interact. energy: -1.573 local terms energy: -396.969034 where: bonds (distance) C4'-P energy: -67.944 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -89.226 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -122.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1121.783233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.783233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.783233 (E_RNA) where: Base-Base interactions energy: -742.299 where: short stacking energy: -317.779 Base-Backbone interact. energy: -1.747 local terms energy: -377.737106 where: bonds (distance) C4'-P energy: -74.462 bonds (distance) P-C4' energy: -80.188 flat angles C4'-P-C4' energy: -81.126 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: -91.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1055.546398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.546398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.546398 (E_RNA) where: Base-Base interactions energy: -697.447 where: short stacking energy: -314.177 Base-Backbone interact. energy: -0.658 local terms energy: -357.441718 where: bonds (distance) C4'-P energy: -72.515 bonds (distance) P-C4' energy: -68.074 flat angles C4'-P-C4' energy: -75.229 flat angles P-C4'-P energy: -46.673 tors. eta vs tors. theta energy: -94.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -803.126614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.126614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.126614 (E_RNA) where: Base-Base interactions energy: -497.836 where: short stacking energy: -227.563 Base-Backbone interact. energy: -1.245 local terms energy: -304.045636 where: bonds (distance) C4'-P energy: -67.491 bonds (distance) P-C4' energy: -67.769 flat angles C4'-P-C4' energy: -64.820 flat angles P-C4'-P energy: -49.805 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: 7, replica: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -755.301360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.301360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.301360 (E_RNA) where: Base-Base interactions energy: -469.329 where: short stacking energy: -220.882 Base-Backbone interact. energy: -3.108 local terms energy: -282.864355 where: bonds (distance) C4'-P energy: -62.269 bonds (distance) P-C4' energy: -52.987 flat angles C4'-P-C4' energy: -66.010 flat angles P-C4'-P energy: -56.738 tors. eta vs tors. theta energy: -44.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -378.188182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.188182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.188182 (E_RNA) where: Base-Base interactions energy: -140.785 where: short stacking energy: -102.722 Base-Backbone interact. energy: 0.685 local terms energy: -238.087917 where: bonds (distance) C4'-P energy: -68.904 bonds (distance) P-C4' energy: -66.349 flat angles C4'-P-C4' energy: -64.497 flat angles P-C4'-P energy: -41.098 tors. eta vs tors. theta energy: 2.759 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: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -397.562459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.562459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.562459 (E_RNA) where: Base-Base interactions energy: -174.567 where: short stacking energy: -113.974 Base-Backbone interact. energy: 0.471 local terms energy: -223.466437 where: bonds (distance) C4'-P energy: -60.939 bonds (distance) P-C4' energy: -69.564 flat angles C4'-P-C4' energy: -59.795 flat angles P-C4'-P energy: -36.930 tors. eta vs tors. theta energy: 3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -329.961040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.961040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.961040 (E_RNA) where: Base-Base interactions energy: -126.195 where: short stacking energy: -103.045 Base-Backbone interact. energy: -1.222 local terms energy: -202.544427 where: bonds (distance) C4'-P energy: -67.319 bonds (distance) P-C4' energy: -62.085 flat angles C4'-P-C4' energy: -47.620 flat angles P-C4'-P energy: -27.809 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: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1353.381906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.381906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.381906 (E_RNA) where: Base-Base interactions energy: -928.264 where: short stacking energy: -387.212 Base-Backbone interact. energy: -2.928 local terms energy: -422.189800 where: bonds (distance) C4'-P energy: -81.872 bonds (distance) P-C4' energy: -77.456 flat angles C4'-P-C4' energy: -92.802 flat angles P-C4'-P energy: -60.122 tors. eta vs tors. theta energy: -109.937 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: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1228.451946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.451946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.451946 (E_RNA) where: Base-Base interactions energy: -830.212 where: short stacking energy: -382.048 Base-Backbone interact. energy: 1.736 local terms energy: -399.975425 where: bonds (distance) C4'-P energy: -83.301 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -87.837 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: -108.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1192.851835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.851835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.851835 (E_RNA) where: Base-Base interactions energy: -781.131 where: short stacking energy: -350.216 Base-Backbone interact. energy: -0.626 local terms energy: -411.094338 where: bonds (distance) C4'-P energy: -74.077 bonds (distance) P-C4' energy: -85.264 flat angles C4'-P-C4' energy: -79.865 flat angles P-C4'-P energy: -56.903 tors. eta vs tors. theta energy: -114.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1093.802652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.802652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.802652 (E_RNA) where: Base-Base interactions energy: -744.310 where: short stacking energy: -323.645 Base-Backbone interact. energy: 0.303 local terms energy: -349.796163 where: bonds (distance) C4'-P energy: -58.338 bonds (distance) P-C4' energy: -74.721 flat angles C4'-P-C4' energy: -87.027 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -88.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1071.955916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.955916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.955916 (E_RNA) where: Base-Base interactions energy: -721.379 where: short stacking energy: -313.892 Base-Backbone interact. energy: 2.515 local terms energy: -353.092237 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -78.546 flat angles C4'-P-C4' energy: -78.319 flat angles P-C4'-P energy: -47.210 tors. eta vs tors. theta energy: -85.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -842.889872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.889872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.889872 (E_RNA) where: Base-Base interactions energy: -513.093 where: short stacking energy: -251.630 Base-Backbone interact. energy: -1.033 local terms energy: -328.763839 where: bonds (distance) C4'-P energy: -58.473 bonds (distance) P-C4' energy: -80.119 flat angles C4'-P-C4' energy: -80.730 flat angles P-C4'-P energy: -43.934 tors. eta vs tors. theta energy: -65.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -798.216448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.216448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.216448 (E_RNA) where: Base-Base interactions energy: -515.905 where: short stacking energy: -219.958 Base-Backbone interact. energy: -0.658 local terms energy: -281.653401 where: bonds (distance) C4'-P energy: -61.045 bonds (distance) P-C4' energy: -60.822 flat angles C4'-P-C4' energy: -71.192 flat angles P-C4'-P energy: -34.481 tors. eta vs tors. theta energy: -54.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -399.023736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.023736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.023736 (E_RNA) where: Base-Base interactions energy: -143.346 where: short stacking energy: -110.596 Base-Backbone interact. energy: 0.787 local terms energy: -256.464532 where: bonds (distance) C4'-P energy: -71.352 bonds (distance) P-C4' energy: -75.802 flat angles C4'-P-C4' energy: -70.853 flat angles P-C4'-P energy: -36.174 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -333.074005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.074005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.074005 (E_RNA) where: Base-Base interactions energy: -126.603 where: short stacking energy: -95.416 Base-Backbone interact. energy: 4.896 local terms energy: -211.366999 where: bonds (distance) C4'-P energy: -55.442 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -61.941 flat angles P-C4'-P energy: -24.679 tors. eta vs tors. theta energy: 5.822 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: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -320.342778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.342778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.342778 (E_RNA) where: Base-Base interactions energy: -85.042 where: short stacking energy: -64.392 Base-Backbone interact. energy: -2.610 local terms energy: -232.690224 where: bonds (distance) C4'-P energy: -60.476 bonds (distance) P-C4' energy: -81.203 flat angles C4'-P-C4' energy: -62.798 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: 12.626 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: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1363.231604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.231604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.231604 (E_RNA) where: Base-Base interactions energy: -952.916 where: short stacking energy: -397.463 Base-Backbone interact. energy: 2.603 local terms energy: -412.918527 where: bonds (distance) C4'-P energy: -81.905 bonds (distance) P-C4' energy: -66.975 flat angles C4'-P-C4' energy: -90.842 flat angles P-C4'-P energy: -59.055 tors. eta vs tors. theta energy: -114.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1273.744087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.744087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.744087 (E_RNA) where: Base-Base interactions energy: -869.615 where: short stacking energy: -373.460 Base-Backbone interact. energy: -2.387 local terms energy: -401.741531 where: bonds (distance) C4'-P energy: -72.459 bonds (distance) P-C4' energy: -74.640 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -50.822 tors. eta vs tors. theta energy: -111.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1160.893190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.893190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.893190 (E_RNA) where: Base-Base interactions energy: -758.584 where: short stacking energy: -343.057 Base-Backbone interact. energy: -1.723 local terms energy: -400.585734 where: bonds (distance) C4'-P energy: -66.988 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -86.786 flat angles P-C4'-P energy: -58.915 tors. eta vs tors. theta energy: -117.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1156.022660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.022660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.022660 (E_RNA) where: Base-Base interactions energy: -750.487 where: short stacking energy: -348.521 Base-Backbone interact. energy: -1.504 local terms energy: -404.030754 where: bonds (distance) C4'-P energy: -82.220 bonds (distance) P-C4' energy: -75.230 flat angles C4'-P-C4' energy: -88.835 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: -105.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1060.864278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.864278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.864278 (E_RNA) where: Base-Base interactions energy: -704.617 where: short stacking energy: -306.526 Base-Backbone interact. energy: -2.141 local terms energy: -354.106460 where: bonds (distance) C4'-P energy: -67.140 bonds (distance) P-C4' energy: -60.786 flat angles C4'-P-C4' energy: -87.571 flat angles P-C4'-P energy: -48.598 tors. eta vs tors. theta energy: -90.012 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: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -845.457581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.457581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.457581 (E_RNA) where: Base-Base interactions energy: -537.458 where: short stacking energy: -214.797 Base-Backbone interact. energy: 0.187 local terms energy: -308.186907 where: bonds (distance) C4'-P energy: -80.776 bonds (distance) P-C4' energy: -67.845 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -53.227 tors. eta vs tors. theta energy: -38.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -744.554386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.554386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.554386 (E_RNA) where: Base-Base interactions energy: -441.478 where: short stacking energy: -219.492 Base-Backbone interact. energy: -0.899 local terms energy: -302.176918 where: bonds (distance) C4'-P energy: -66.391 bonds (distance) P-C4' energy: -62.423 flat angles C4'-P-C4' energy: -69.403 flat angles P-C4'-P energy: -57.811 tors. eta vs tors. theta energy: -46.149 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: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -366.570418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.570418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.570418 (E_RNA) where: Base-Base interactions energy: -137.649 where: short stacking energy: -85.981 Base-Backbone interact. energy: -2.603 local terms energy: -226.318245 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -77.827 flat angles C4'-P-C4' energy: -57.238 flat angles P-C4'-P energy: -29.621 tors. eta vs tors. theta energy: 1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -313.457380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.457380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.457380 (E_RNA) where: Base-Base interactions energy: -110.052 where: short stacking energy: -77.205 Base-Backbone interact. energy: 1.787 local terms energy: -205.192914 where: bonds (distance) C4'-P energy: -73.492 bonds (distance) P-C4' energy: -64.092 flat angles C4'-P-C4' energy: -55.098 flat angles P-C4'-P energy: -32.432 tors. eta vs tors. theta energy: 19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -299.247160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.247160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.247160 (E_RNA) where: Base-Base interactions energy: -81.465 where: short stacking energy: -69.202 Base-Backbone interact. energy: 3.090 local terms energy: -220.872253 where: bonds (distance) C4'-P energy: -71.497 bonds (distance) P-C4' energy: -64.420 flat angles C4'-P-C4' energy: -55.463 flat angles P-C4'-P energy: -41.462 tors. eta vs tors. theta energy: 11.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1383.099960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.099960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.099960 (E_RNA) where: Base-Base interactions energy: -958.977 where: short stacking energy: -400.284 Base-Backbone interact. energy: -2.280 local terms energy: -421.842769 where: bonds (distance) C4'-P energy: -78.800 bonds (distance) P-C4' energy: -75.447 flat angles C4'-P-C4' energy: -84.351 flat angles P-C4'-P energy: -68.595 tors. eta vs tors. theta energy: -114.649 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: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1276.098418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.098418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.098418 (E_RNA) where: Base-Base interactions energy: -873.547 where: short stacking energy: -373.613 Base-Backbone interact. energy: -1.641 local terms energy: -400.910948 where: bonds (distance) C4'-P energy: -68.609 bonds (distance) P-C4' energy: -79.872 flat angles C4'-P-C4' energy: -84.079 flat angles P-C4'-P energy: -58.602 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: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1179.170419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.170419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.170419 (E_RNA) where: Base-Base interactions energy: -791.746 where: short stacking energy: -327.796 Base-Backbone interact. energy: -0.722 local terms energy: -386.702946 where: bonds (distance) C4'-P energy: -81.581 bonds (distance) P-C4' energy: -68.711 flat angles C4'-P-C4' energy: -77.504 flat angles P-C4'-P energy: -56.283 tors. eta vs tors. theta energy: -102.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1123.733635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.733635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.733635 (E_RNA) where: Base-Base interactions energy: -747.704 where: short stacking energy: -341.760 Base-Backbone interact. energy: -1.185 local terms energy: -374.845218 where: bonds (distance) C4'-P energy: -67.902 bonds (distance) P-C4' energy: -73.856 flat angles C4'-P-C4' energy: -76.305 flat angles P-C4'-P energy: -45.730 tors. eta vs tors. theta energy: -111.053 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: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1076.778548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.778548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.778548 (E_RNA) where: Base-Base interactions energy: -724.545 where: short stacking energy: -340.161 Base-Backbone interact. energy: -0.415 local terms energy: -351.819089 where: bonds (distance) C4'-P energy: -70.976 bonds (distance) P-C4' energy: -70.503 flat angles C4'-P-C4' energy: -67.799 flat angles P-C4'-P energy: -39.629 tors. eta vs tors. theta energy: -102.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -830.718404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.718404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.718404 (E_RNA) where: Base-Base interactions energy: -526.484 where: short stacking energy: -216.926 Base-Backbone interact. energy: -1.708 local terms energy: -302.525972 where: bonds (distance) C4'-P energy: -75.940 bonds (distance) P-C4' energy: -60.117 flat angles C4'-P-C4' energy: -74.983 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -41.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -762.847314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.847314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.847314 (E_RNA) where: Base-Base interactions energy: -479.878 where: short stacking energy: -220.302 Base-Backbone interact. energy: 1.191 local terms energy: -284.160192 where: bonds (distance) C4'-P energy: -63.357 bonds (distance) P-C4' energy: -77.367 flat angles C4'-P-C4' energy: -57.233 flat angles P-C4'-P energy: -40.973 tors. eta vs tors. theta energy: -45.230 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: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -354.251103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.251103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.251103 (E_RNA) where: Base-Base interactions energy: -122.249 where: short stacking energy: -95.154 Base-Backbone interact. energy: 0.045 local terms energy: -232.047304 where: bonds (distance) C4'-P energy: -73.746 bonds (distance) P-C4' energy: -73.069 flat angles C4'-P-C4' energy: -49.308 flat angles P-C4'-P energy: -49.745 tors. eta vs tors. theta energy: 13.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -345.506324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.506324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.506324 (E_RNA) where: Base-Base interactions energy: -107.110 where: short stacking energy: -100.093 Base-Backbone interact. energy: -2.039 local terms energy: -236.357561 where: bonds (distance) C4'-P energy: -60.194 bonds (distance) P-C4' energy: -59.305 flat angles C4'-P-C4' energy: -60.654 flat angles P-C4'-P energy: -49.393 tors. eta vs tors. theta energy: -6.811 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: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -352.801663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.801663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.801663 (E_RNA) where: Base-Base interactions energy: -140.977 where: short stacking energy: -90.205 Base-Backbone interact. energy: 0.082 local terms energy: -211.906765 where: bonds (distance) C4'-P energy: -60.468 bonds (distance) P-C4' energy: -76.712 flat angles C4'-P-C4' energy: -56.085 flat angles P-C4'-P energy: -35.900 tors. eta vs tors. theta energy: 17.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1378.513829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.513829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.513829 (E_RNA) where: Base-Base interactions energy: -940.143 where: short stacking energy: -391.062 Base-Backbone interact. energy: -2.283 local terms energy: -436.087911 where: bonds (distance) C4'-P energy: -78.895 bonds (distance) P-C4' energy: -82.906 flat angles C4'-P-C4' energy: -83.787 flat angles P-C4'-P energy: -68.462 tors. eta vs tors. theta energy: -122.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1255.714886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.714886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.714886 (E_RNA) where: Base-Base interactions energy: -843.872 where: short stacking energy: -387.061 Base-Backbone interact. energy: 0.951 local terms energy: -412.794366 where: bonds (distance) C4'-P energy: -70.328 bonds (distance) P-C4' energy: -74.910 flat angles C4'-P-C4' energy: -98.865 flat angles P-C4'-P energy: -58.398 tors. eta vs tors. theta energy: -110.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1190.119839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.119839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.119839 (E_RNA) where: Base-Base interactions energy: -803.520 where: short stacking energy: -337.698 Base-Backbone interact. energy: -0.643 local terms energy: -385.956886 where: bonds (distance) C4'-P energy: -64.768 bonds (distance) P-C4' energy: -74.910 flat angles C4'-P-C4' energy: -95.365 flat angles P-C4'-P energy: -47.401 tors. eta vs tors. theta energy: -103.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1132.830012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.830012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.830012 (E_RNA) where: Base-Base interactions energy: -731.007 where: short stacking energy: -319.207 Base-Backbone interact. energy: -2.014 local terms energy: -399.809780 where: bonds (distance) C4'-P energy: -77.218 bonds (distance) P-C4' energy: -79.021 flat angles C4'-P-C4' energy: -80.733 flat angles P-C4'-P energy: -56.306 tors. eta vs tors. theta energy: -106.532 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: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1076.452560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.452560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.452560 (E_RNA) where: Base-Base interactions energy: -696.009 where: short stacking energy: -322.751 Base-Backbone interact. energy: -1.445 local terms energy: -378.998860 where: bonds (distance) C4'-P energy: -68.022 bonds (distance) P-C4' energy: -73.291 flat angles C4'-P-C4' energy: -77.189 flat angles P-C4'-P energy: -54.685 tors. eta vs tors. theta energy: -105.812 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: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -847.154356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.154356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.154356 (E_RNA) where: Base-Base interactions energy: -535.594 where: short stacking energy: -266.598 Base-Backbone interact. energy: -0.387 local terms energy: -311.173442 where: bonds (distance) C4'-P energy: -53.283 bonds (distance) P-C4' energy: -67.426 flat angles C4'-P-C4' energy: -75.042 flat angles P-C4'-P energy: -49.033 tors. eta vs tors. theta energy: -66.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -734.103716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.103716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.103716 (E_RNA) where: Base-Base interactions energy: -437.675 where: short stacking energy: -203.086 Base-Backbone interact. energy: -1.697 local terms energy: -294.731083 where: bonds (distance) C4'-P energy: -63.616 bonds (distance) P-C4' energy: -71.374 flat angles C4'-P-C4' energy: -55.392 flat angles P-C4'-P energy: -50.096 tors. eta vs tors. theta energy: -54.253 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: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -378.603426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.603426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.603426 (E_RNA) where: Base-Base interactions energy: -118.950 where: short stacking energy: -82.662 Base-Backbone interact. energy: -1.471 local terms energy: -258.183218 where: bonds (distance) C4'-P energy: -75.391 bonds (distance) P-C4' energy: -83.252 flat angles C4'-P-C4' energy: -66.116 flat angles P-C4'-P energy: -32.979 tors. eta vs tors. theta energy: -0.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -333.723061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.723061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.723061 (E_RNA) where: Base-Base interactions energy: -121.716 where: short stacking energy: -88.354 Base-Backbone interact. energy: -0.684 local terms energy: -211.323287 where: bonds (distance) C4'-P energy: -60.417 bonds (distance) P-C4' energy: -69.410 flat angles C4'-P-C4' energy: -60.124 flat angles P-C4'-P energy: -31.167 tors. eta vs tors. theta energy: 9.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -316.049062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.049062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.049062 (E_RNA) where: Base-Base interactions energy: -116.515 where: short stacking energy: -105.145 Base-Backbone interact. energy: 0.951 local terms energy: -200.484655 where: bonds (distance) C4'-P energy: -61.623 bonds (distance) P-C4' energy: -64.920 flat angles C4'-P-C4' energy: -49.651 flat angles P-C4'-P energy: -33.180 tors. eta vs tors. theta energy: 8.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1375.801080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.801080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.801080 (E_RNA) where: Base-Base interactions energy: -947.990 where: short stacking energy: -379.548 Base-Backbone interact. energy: -1.055 local terms energy: -426.755858 where: bonds (distance) C4'-P energy: -84.145 bonds (distance) P-C4' energy: -74.025 flat angles C4'-P-C4' energy: -85.637 flat angles P-C4'-P energy: -65.156 tors. eta vs tors. theta energy: -117.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1284.945230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.945230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.945230 (E_RNA) where: Base-Base interactions energy: -889.116 where: short stacking energy: -388.135 Base-Backbone interact. energy: 0.201 local terms energy: -396.030252 where: bonds (distance) C4'-P energy: -76.385 bonds (distance) P-C4' energy: -77.488 flat angles C4'-P-C4' energy: -78.955 flat angles P-C4'-P energy: -51.410 tors. eta vs tors. theta energy: -111.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1216.951434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.951434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.951434 (E_RNA) where: Base-Base interactions energy: -807.592 where: short stacking energy: -361.676 Base-Backbone interact. energy: -2.810 local terms energy: -406.549411 where: bonds (distance) C4'-P energy: -77.069 bonds (distance) P-C4' energy: -74.186 flat angles C4'-P-C4' energy: -84.806 flat angles P-C4'-P energy: -58.517 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: 4, replica: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1166.158857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.158857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.158857 (E_RNA) where: Base-Base interactions energy: -790.800 where: short stacking energy: -337.325 Base-Backbone interact. energy: 0.936 local terms energy: -376.295054 where: bonds (distance) C4'-P energy: -69.819 bonds (distance) P-C4' energy: -62.306 flat angles C4'-P-C4' energy: -74.321 flat angles P-C4'-P energy: -56.268 tors. eta vs tors. theta energy: -113.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1023.025674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.025674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.025674 (E_RNA) where: Base-Base interactions energy: -658.212 where: short stacking energy: -280.826 Base-Backbone interact. energy: -1.826 local terms energy: -362.988066 where: bonds (distance) C4'-P energy: -70.485 bonds (distance) P-C4' energy: -70.612 flat angles C4'-P-C4' energy: -83.045 flat angles P-C4'-P energy: -54.726 tors. eta vs tors. theta energy: -84.120 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: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -810.819883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.819883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.819883 (E_RNA) where: Base-Base interactions energy: -505.157 where: short stacking energy: -220.049 Base-Backbone interact. energy: -1.103 local terms energy: -304.559308 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -63.597 flat angles C4'-P-C4' energy: -70.261 flat angles P-C4'-P energy: -56.110 tors. eta vs tors. theta energy: -50.038 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: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -721.895157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.895157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.895157 (E_RNA) where: Base-Base interactions energy: -428.307 where: short stacking energy: -204.740 Base-Backbone interact. energy: -0.871 local terms energy: -292.716810 where: bonds (distance) C4'-P energy: -58.874 bonds (distance) P-C4' energy: -79.303 flat angles C4'-P-C4' energy: -70.141 flat angles P-C4'-P energy: -36.303 tors. eta vs tors. theta energy: -48.096 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: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -408.225024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.225024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.225024 (E_RNA) where: Base-Base interactions energy: -176.081 where: short stacking energy: -119.657 Base-Backbone interact. energy: -1.163 local terms energy: -230.980783 where: bonds (distance) C4'-P energy: -62.568 bonds (distance) P-C4' energy: -67.600 flat angles C4'-P-C4' energy: -64.514 flat angles P-C4'-P energy: -35.887 tors. eta vs tors. theta energy: -0.411 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: 410 Temperature: 1.300000 Total energy: -302.199540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.199540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.199540 (E_RNA) where: Base-Base interactions energy: -68.973 where: short stacking energy: -60.671 Base-Backbone interact. energy: -0.763 local terms energy: -232.463444 where: bonds (distance) C4'-P energy: -69.687 bonds (distance) P-C4' energy: -70.049 flat angles C4'-P-C4' energy: -47.716 flat angles P-C4'-P energy: -48.562 tors. eta vs tors. theta energy: 3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -330.440536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.440536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.440536 (E_RNA) where: Base-Base interactions energy: -98.098 where: short stacking energy: -66.488 Base-Backbone interact. energy: -0.879 local terms energy: -231.463459 where: bonds (distance) C4'-P energy: -72.041 bonds (distance) P-C4' energy: -61.920 flat angles C4'-P-C4' energy: -49.020 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: 7.242 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: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1372.332253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.332253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.332253 (E_RNA) where: Base-Base interactions energy: -921.864 where: short stacking energy: -373.941 Base-Backbone interact. energy: -2.693 local terms energy: -447.775723 where: bonds (distance) C4'-P energy: -89.729 bonds (distance) P-C4' energy: -90.637 flat angles C4'-P-C4' energy: -80.100 flat angles P-C4'-P energy: -64.859 tors. eta vs tors. theta energy: -122.451 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: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1268.183906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.183906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.183906 (E_RNA) where: Base-Base interactions energy: -849.128 where: short stacking energy: -375.422 Base-Backbone interact. energy: 0.421 local terms energy: -419.476967 where: bonds (distance) C4'-P energy: -84.925 bonds (distance) P-C4' energy: -77.758 flat angles C4'-P-C4' energy: -88.898 flat angles P-C4'-P energy: -57.501 tors. eta vs tors. theta energy: -110.396 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: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1205.607100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.607100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.607100 (E_RNA) where: Base-Base interactions energy: -816.070 where: short stacking energy: -352.996 Base-Backbone interact. energy: -1.045 local terms energy: -388.492087 where: bonds (distance) C4'-P energy: -71.266 bonds (distance) P-C4' energy: -73.355 flat angles C4'-P-C4' energy: -76.180 flat angles P-C4'-P energy: -63.451 tors. eta vs tors. theta energy: -104.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1161.744105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.744105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.744105 (E_RNA) where: Base-Base interactions energy: -772.840 where: short stacking energy: -322.480 Base-Backbone interact. energy: -1.648 local terms energy: -387.255757 where: bonds (distance) C4'-P energy: -67.278 bonds (distance) P-C4' energy: -73.947 flat angles C4'-P-C4' energy: -86.221 flat angles P-C4'-P energy: -57.621 tors. eta vs tors. theta energy: -102.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -995.059848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.059848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.059848 (E_RNA) where: Base-Base interactions energy: -657.666 where: short stacking energy: -296.746 Base-Backbone interact. energy: 0.011 local terms energy: -337.405454 where: bonds (distance) C4'-P energy: -64.458 bonds (distance) P-C4' energy: -66.710 flat angles C4'-P-C4' energy: -75.101 flat angles P-C4'-P energy: -51.689 tors. eta vs tors. theta energy: -79.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -803.809531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.809531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.809531 (E_RNA) where: Base-Base interactions energy: -477.880 where: short stacking energy: -234.624 Base-Backbone interact. energy: -2.413 local terms energy: -323.516524 where: bonds (distance) C4'-P energy: -76.186 bonds (distance) P-C4' energy: -72.672 flat angles C4'-P-C4' energy: -71.537 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: -50.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -776.857153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.857153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.857153 (E_RNA) where: Base-Base interactions energy: -478.488 where: short stacking energy: -213.902 Base-Backbone interact. energy: 0.062 local terms energy: -298.431263 where: bonds (distance) C4'-P energy: -65.599 bonds (distance) P-C4' energy: -83.844 flat angles C4'-P-C4' energy: -68.096 flat angles P-C4'-P energy: -40.384 tors. eta vs tors. theta energy: -40.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -403.035345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.035345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.035345 (E_RNA) where: Base-Base interactions energy: -152.795 where: short stacking energy: -116.132 Base-Backbone interact. energy: -1.081 local terms energy: -249.159133 where: bonds (distance) C4'-P energy: -63.279 bonds (distance) P-C4' energy: -70.798 flat angles C4'-P-C4' energy: -59.130 flat angles P-C4'-P energy: -40.348 tors. eta vs tors. theta energy: -15.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -355.635614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.635614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.635614 (E_RNA) where: Base-Base interactions energy: -145.068 where: short stacking energy: -98.371 Base-Backbone interact. energy: -1.076 local terms energy: -209.490829 where: bonds (distance) C4'-P energy: -61.107 bonds (distance) P-C4' energy: -72.340 flat angles C4'-P-C4' energy: -55.838 flat angles P-C4'-P energy: -24.218 tors. eta vs tors. theta energy: 4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -325.189519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.189519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.189519 (E_RNA) where: Base-Base interactions energy: -122.197 where: short stacking energy: -108.153 Base-Backbone interact. energy: -0.860 local terms energy: -202.133346 where: bonds (distance) C4'-P energy: -70.048 bonds (distance) P-C4' energy: -49.753 flat angles C4'-P-C4' energy: -55.813 flat angles P-C4'-P energy: -32.498 tors. eta vs tors. theta energy: 5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1363.309451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.309451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.309451 (E_RNA) where: Base-Base interactions energy: -944.683 where: short stacking energy: -401.185 Base-Backbone interact. energy: 1.767 local terms energy: -420.393542 where: bonds (distance) C4'-P energy: -80.990 bonds (distance) P-C4' energy: -72.742 flat angles C4'-P-C4' energy: -86.181 flat angles P-C4'-P energy: -62.666 tors. eta vs tors. theta energy: -117.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1273.644798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.644798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.644798 (E_RNA) where: Base-Base interactions energy: -871.799 where: short stacking energy: -386.182 Base-Backbone interact. energy: -0.553 local terms energy: -401.292353 where: bonds (distance) C4'-P energy: -83.041 bonds (distance) P-C4' energy: -73.652 flat angles C4'-P-C4' energy: -79.243 flat angles P-C4'-P energy: -55.619 tors. eta vs tors. theta energy: -109.737 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: 412 Temperature: 1.000000 Total energy: -1201.531672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.531672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.531672 (E_RNA) where: Base-Base interactions energy: -789.554 where: short stacking energy: -365.385 Base-Backbone interact. energy: 0.583 local terms energy: -412.560243 where: bonds (distance) C4'-P energy: -72.729 bonds (distance) P-C4' energy: -82.927 flat angles C4'-P-C4' energy: -84.871 flat angles P-C4'-P energy: -60.041 tors. eta vs tors. theta energy: -111.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1151.019234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.019234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.019234 (E_RNA) where: Base-Base interactions energy: -764.904 where: short stacking energy: -346.778 Base-Backbone interact. energy: -1.409 local terms energy: -384.705893 where: bonds (distance) C4'-P energy: -64.333 bonds (distance) P-C4' energy: -73.577 flat angles C4'-P-C4' energy: -85.992 flat angles P-C4'-P energy: -49.696 tors. eta vs tors. theta energy: -111.108 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: 412 Temperature: 1.100000 Total energy: -984.194125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.194125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.194125 (E_RNA) where: Base-Base interactions energy: -642.024 where: short stacking energy: -294.313 Base-Backbone interact. energy: -1.889 local terms energy: -340.281078 where: bonds (distance) C4'-P energy: -50.779 bonds (distance) P-C4' energy: -61.318 flat angles C4'-P-C4' energy: -81.191 flat angles P-C4'-P energy: -51.548 tors. eta vs tors. theta energy: -95.445 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: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -835.444033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.444033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.444033 (E_RNA) where: Base-Base interactions energy: -511.688 where: short stacking energy: -224.467 Base-Backbone interact. energy: -0.776 local terms energy: -322.979994 where: bonds (distance) C4'-P energy: -85.837 bonds (distance) P-C4' energy: -61.612 flat angles C4'-P-C4' energy: -80.411 flat angles P-C4'-P energy: -43.677 tors. eta vs tors. theta energy: -51.443 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: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -767.338595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.338595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.338595 (E_RNA) where: Base-Base interactions energy: -474.106 where: short stacking energy: -224.230 Base-Backbone interact. energy: -0.465 local terms energy: -292.768301 where: bonds (distance) C4'-P energy: -69.640 bonds (distance) P-C4' energy: -72.250 flat angles C4'-P-C4' energy: -69.971 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: -37.516 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: 412 Temperature: 1.250000 Total energy: -378.505420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.505420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.505420 (E_RNA) where: Base-Base interactions energy: -122.399 where: short stacking energy: -107.906 Base-Backbone interact. energy: -3.309 local terms energy: -252.797267 where: bonds (distance) C4'-P energy: -74.921 bonds (distance) P-C4' energy: -70.876 flat angles C4'-P-C4' energy: -62.166 flat angles P-C4'-P energy: -47.204 tors. eta vs tors. theta energy: 2.370 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: 9, replica: 1 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -382.917316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.917316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.917316 (E_RNA) where: Base-Base interactions energy: -152.526 where: short stacking energy: -121.436 Base-Backbone interact. energy: 5.906 local terms energy: -236.297029 where: bonds (distance) C4'-P energy: -62.603 bonds (distance) P-C4' energy: -61.533 flat angles C4'-P-C4' energy: -62.359 flat angles P-C4'-P energy: -40.112 tors. eta vs tors. theta energy: -9.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -305.569913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.569913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.569913 (E_RNA) where: Base-Base interactions energy: -99.211 where: short stacking energy: -73.986 Base-Backbone interact. energy: 1.662 local terms energy: -208.021495 where: bonds (distance) C4'-P energy: -79.880 bonds (distance) P-C4' energy: -63.556 flat angles C4'-P-C4' energy: -50.725 flat angles P-C4'-P energy: -38.489 tors. eta vs tors. theta energy: 24.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1390.926205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.926205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.926205 (E_RNA) where: Base-Base interactions energy: -949.074 where: short stacking energy: -386.109 Base-Backbone interact. energy: 0.235 local terms energy: -442.086917 where: bonds (distance) C4'-P energy: -89.109 bonds (distance) P-C4' energy: -73.535 flat angles C4'-P-C4' energy: -96.721 flat angles P-C4'-P energy: -65.154 tors. eta vs tors. theta energy: -117.568 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: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1263.801118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.801118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.801118 (E_RNA) where: Base-Base interactions energy: -844.107 where: short stacking energy: -393.239 Base-Backbone interact. energy: -1.542 local terms energy: -418.151743 where: bonds (distance) C4'-P energy: -82.882 bonds (distance) P-C4' energy: -74.561 flat angles C4'-P-C4' energy: -83.175 flat angles P-C4'-P energy: -58.865 tors. eta vs tors. theta energy: -118.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1192.565562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.565562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.565562 (E_RNA) where: Base-Base interactions energy: -790.897 where: short stacking energy: -368.634 Base-Backbone interact. energy: -0.893 local terms energy: -400.775929 where: bonds (distance) C4'-P energy: -73.183 bonds (distance) P-C4' energy: -67.041 flat angles C4'-P-C4' energy: -89.629 flat angles P-C4'-P energy: -54.877 tors. eta vs tors. theta energy: -116.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1125.181065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.181065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.181065 (E_RNA) where: Base-Base interactions energy: -724.179 where: short stacking energy: -319.621 Base-Backbone interact. energy: -1.653 local terms energy: -399.348937 where: bonds (distance) C4'-P energy: -81.556 bonds (distance) P-C4' energy: -79.823 flat angles C4'-P-C4' energy: -71.947 flat angles P-C4'-P energy: -63.047 tors. eta vs tors. theta energy: -102.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1004.277883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.277883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.277883 (E_RNA) where: Base-Base interactions energy: -674.615 where: short stacking energy: -289.206 Base-Backbone interact. energy: -2.549 local terms energy: -327.114625 where: bonds (distance) C4'-P energy: -63.441 bonds (distance) P-C4' energy: -74.288 flat angles C4'-P-C4' energy: -61.722 flat angles P-C4'-P energy: -48.469 tors. eta vs tors. theta energy: -79.195 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: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -803.521819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.521819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.521819 (E_RNA) where: Base-Base interactions energy: -495.057 where: short stacking energy: -221.289 Base-Backbone interact. energy: -0.279 local terms energy: -308.186017 where: bonds (distance) C4'-P energy: -64.161 bonds (distance) P-C4' energy: -67.520 flat angles C4'-P-C4' energy: -81.432 flat angles P-C4'-P energy: -42.070 tors. eta vs tors. theta energy: -53.002 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: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -765.056242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.056242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.056242 (E_RNA) where: Base-Base interactions energy: -459.201 where: short stacking energy: -214.758 Base-Backbone interact. energy: -1.311 local terms energy: -304.544166 where: bonds (distance) C4'-P energy: -67.834 bonds (distance) P-C4' energy: -72.910 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -50.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -365.237967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.237967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.237967 (E_RNA) where: Base-Base interactions energy: -135.942 where: short stacking energy: -109.751 Base-Backbone interact. energy: -1.965 local terms energy: -227.330921 where: bonds (distance) C4'-P energy: -65.131 bonds (distance) P-C4' energy: -71.058 flat angles C4'-P-C4' energy: -61.942 flat angles P-C4'-P energy: -34.129 tors. eta vs tors. theta energy: 4.930 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: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -336.801575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.801575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.801575 (E_RNA) where: Base-Base interactions energy: -137.182 where: short stacking energy: -91.651 Base-Backbone interact. energy: 2.302 local terms energy: -201.922027 where: bonds (distance) C4'-P energy: -63.121 bonds (distance) P-C4' energy: -74.781 flat angles C4'-P-C4' energy: -55.295 flat angles P-C4'-P energy: -28.988 tors. eta vs tors. theta energy: 20.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -318.419310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.419310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.419310 (E_RNA) where: Base-Base interactions energy: -122.997 where: short stacking energy: -91.898 Base-Backbone interact. energy: 1.152 local terms energy: -196.575181 where: bonds (distance) C4'-P energy: -72.902 bonds (distance) P-C4' energy: -55.496 flat angles C4'-P-C4' energy: -43.670 flat angles P-C4'-P energy: -40.369 tors. eta vs tors. theta energy: 15.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1360.411607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.411607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.411607 (E_RNA) where: Base-Base interactions energy: -939.469 where: short stacking energy: -385.775 Base-Backbone interact. energy: -3.980 local terms energy: -416.962518 where: bonds (distance) C4'-P energy: -77.286 bonds (distance) P-C4' energy: -77.583 flat angles C4'-P-C4' energy: -83.793 flat angles P-C4'-P energy: -59.752 tors. eta vs tors. theta energy: -118.549 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: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1262.264089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.264089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.264089 (E_RNA) where: Base-Base interactions energy: -848.035 where: short stacking energy: -381.724 Base-Backbone interact. energy: -0.796 local terms energy: -413.432389 where: bonds (distance) C4'-P energy: -77.556 bonds (distance) P-C4' energy: -80.402 flat angles C4'-P-C4' energy: -85.338 flat angles P-C4'-P energy: -55.598 tors. eta vs tors. theta energy: -114.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1201.879525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.879525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.879525 (E_RNA) where: Base-Base interactions energy: -801.242 where: short stacking energy: -382.429 Base-Backbone interact. energy: -0.144 local terms energy: -400.493438 where: bonds (distance) C4'-P energy: -64.314 bonds (distance) P-C4' energy: -85.089 flat angles C4'-P-C4' energy: -84.022 flat angles P-C4'-P energy: -52.036 tors. eta vs tors. theta energy: -115.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1117.088168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.088168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.088168 (E_RNA) where: Base-Base interactions energy: -720.399 where: short stacking energy: -322.995 Base-Backbone interact. energy: -2.685 local terms energy: -394.003444 where: bonds (distance) C4'-P energy: -80.377 bonds (distance) P-C4' energy: -81.763 flat angles C4'-P-C4' energy: -75.605 flat angles P-C4'-P energy: -52.392 tors. eta vs tors. theta energy: -103.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1031.599897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.599897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.599897 (E_RNA) where: Base-Base interactions energy: -678.757 where: short stacking energy: -290.740 Base-Backbone interact. energy: 3.714 local terms energy: -356.556657 where: bonds (distance) C4'-P energy: -78.507 bonds (distance) P-C4' energy: -75.126 flat angles C4'-P-C4' energy: -82.602 flat angles P-C4'-P energy: -48.785 tors. eta vs tors. theta energy: -71.537 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: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -768.262074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.262074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.262074 (E_RNA) where: Base-Base interactions energy: -483.415 where: short stacking energy: -236.656 Base-Backbone interact. energy: 1.323 local terms energy: -286.169475 where: bonds (distance) C4'-P energy: -72.221 bonds (distance) P-C4' energy: -70.327 flat angles C4'-P-C4' energy: -56.094 flat angles P-C4'-P energy: -29.200 tors. eta vs tors. theta energy: -58.327 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -751.740758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.740758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.740758 (E_RNA) where: Base-Base interactions energy: -463.105 where: short stacking energy: -222.128 Base-Backbone interact. energy: -1.170 local terms energy: -287.465678 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -55.934 flat angles C4'-P-C4' energy: -76.834 flat angles P-C4'-P energy: -30.092 tors. eta vs tors. theta energy: -53.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -388.743426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.743426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.743426 (E_RNA) where: Base-Base interactions energy: -139.877 where: short stacking energy: -85.755 Base-Backbone interact. energy: -1.742 local terms energy: -247.124175 where: bonds (distance) C4'-P energy: -72.521 bonds (distance) P-C4' energy: -84.219 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -39.890 tors. eta vs tors. theta energy: 9.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -341.479986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.479986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.479986 (E_RNA) where: Base-Base interactions energy: -117.014 where: short stacking energy: -100.077 Base-Backbone interact. energy: 0.759 local terms energy: -225.225040 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -71.888 flat angles C4'-P-C4' energy: -59.556 flat angles P-C4'-P energy: -40.237 tors. eta vs tors. theta energy: 5.076 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: 414 Temperature: 1.350000 Total energy: -402.101103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.101103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.101103 (E_RNA) where: Base-Base interactions energy: -203.675 where: short stacking energy: -131.343 Base-Backbone interact. energy: 0.150 local terms energy: -198.576065 where: bonds (distance) C4'-P energy: -53.825 bonds (distance) P-C4' energy: -51.162 flat angles C4'-P-C4' energy: -57.823 flat angles P-C4'-P energy: -26.930 tors. eta vs tors. theta energy: -8.837 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: 3 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1352.680151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.680151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.680151 (E_RNA) where: Base-Base interactions energy: -929.145 where: short stacking energy: -377.307 Base-Backbone interact. energy: -3.558 local terms energy: -419.978080 where: bonds (distance) C4'-P energy: -73.482 bonds (distance) P-C4' energy: -74.486 flat angles C4'-P-C4' energy: -93.687 flat angles P-C4'-P energy: -72.548 tors. eta vs tors. theta energy: -105.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1293.990016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.990016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.990016 (E_RNA) where: Base-Base interactions energy: -872.507 where: short stacking energy: -384.552 Base-Backbone interact. energy: -0.290 local terms energy: -421.193560 where: bonds (distance) C4'-P energy: -81.820 bonds (distance) P-C4' energy: -80.411 flat angles C4'-P-C4' energy: -81.469 flat angles P-C4'-P energy: -57.771 tors. eta vs tors. theta energy: -119.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1210.844073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.844073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.844073 (E_RNA) where: Base-Base interactions energy: -813.964 where: short stacking energy: -378.956 Base-Backbone interact. energy: -1.901 local terms energy: -394.979464 where: bonds (distance) C4'-P energy: -61.271 bonds (distance) P-C4' energy: -74.649 flat angles C4'-P-C4' energy: -87.422 flat angles P-C4'-P energy: -54.090 tors. eta vs tors. theta energy: -117.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1078.137516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.137516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.137516 (E_RNA) where: Base-Base interactions energy: -723.655 where: short stacking energy: -314.298 Base-Backbone interact. energy: -2.349 local terms energy: -352.133608 where: bonds (distance) C4'-P energy: -70.552 bonds (distance) P-C4' energy: -69.018 flat angles C4'-P-C4' energy: -81.274 flat angles P-C4'-P energy: -42.123 tors. eta vs tors. theta energy: -89.167 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: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1075.061195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.061195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.061195 (E_RNA) where: Base-Base interactions energy: -692.752 where: short stacking energy: -311.529 Base-Backbone interact. energy: 2.903 local terms energy: -385.212548 where: bonds (distance) C4'-P energy: -72.218 bonds (distance) P-C4' energy: -64.933 flat angles C4'-P-C4' energy: -85.653 flat angles P-C4'-P energy: -58.310 tors. eta vs tors. theta energy: -104.098 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: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -793.547362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.547362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.547362 (E_RNA) where: Base-Base interactions energy: -493.853 where: short stacking energy: -227.802 Base-Backbone interact. energy: 3.808 local terms energy: -303.502145 where: bonds (distance) C4'-P energy: -77.272 bonds (distance) P-C4' energy: -79.758 flat angles C4'-P-C4' energy: -62.605 flat angles P-C4'-P energy: -46.744 tors. eta vs tors. theta energy: -37.123 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: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -759.910589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.910589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.910589 (E_RNA) where: Base-Base interactions energy: -474.932 where: short stacking energy: -213.325 Base-Backbone interact. energy: -0.935 local terms energy: -284.043678 where: bonds (distance) C4'-P energy: -59.109 bonds (distance) P-C4' energy: -77.199 flat angles C4'-P-C4' energy: -72.564 flat angles P-C4'-P energy: -32.987 tors. eta vs tors. theta energy: -42.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -386.402210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.402210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.402210 (E_RNA) where: Base-Base interactions energy: -149.471 where: short stacking energy: -117.001 Base-Backbone interact. energy: -0.619 local terms energy: -236.313052 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -73.814 flat angles C4'-P-C4' energy: -62.717 flat angles P-C4'-P energy: -37.313 tors. eta vs tors. theta energy: 4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -351.578155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.578155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.578155 (E_RNA) where: Base-Base interactions energy: -149.425 where: short stacking energy: -111.563 Base-Backbone interact. energy: -0.117 local terms energy: -202.035630 where: bonds (distance) C4'-P energy: -65.443 bonds (distance) P-C4' energy: -70.067 flat angles C4'-P-C4' energy: -45.667 flat angles P-C4'-P energy: -31.676 tors. eta vs tors. theta energy: 10.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -404.170024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.170024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.170024 (E_RNA) where: Base-Base interactions energy: -184.914 where: short stacking energy: -100.696 Base-Backbone interact. energy: -1.307 local terms energy: -217.949244 where: bonds (distance) C4'-P energy: -67.875 bonds (distance) P-C4' energy: -64.796 flat angles C4'-P-C4' energy: -60.332 flat angles P-C4'-P energy: -40.459 tors. eta vs tors. theta energy: 15.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1346.348210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.348210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.348210 (E_RNA) where: Base-Base interactions energy: -918.665 where: short stacking energy: -372.474 Base-Backbone interact. energy: -2.460 local terms energy: -425.223809 where: bonds (distance) C4'-P energy: -83.805 bonds (distance) P-C4' energy: -84.110 flat angles C4'-P-C4' energy: -86.201 flat angles P-C4'-P energy: -58.642 tors. eta vs tors. theta energy: -112.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1296.945586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.945586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.945586 (E_RNA) where: Base-Base interactions energy: -869.921 where: short stacking energy: -383.560 Base-Backbone interact. energy: -1.180 local terms energy: -425.844517 where: bonds (distance) C4'-P energy: -75.768 bonds (distance) P-C4' energy: -88.278 flat angles C4'-P-C4' energy: -90.026 flat angles P-C4'-P energy: -61.375 tors. eta vs tors. theta energy: -110.398 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: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1219.622309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.622309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.622309 (E_RNA) where: Base-Base interactions energy: -805.520 where: short stacking energy: -361.029 Base-Backbone interact. energy: -1.829 local terms energy: -412.273354 where: bonds (distance) C4'-P energy: -65.793 bonds (distance) P-C4' energy: -82.597 flat angles C4'-P-C4' energy: -90.471 flat angles P-C4'-P energy: -58.698 tors. eta vs tors. theta energy: -114.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1084.152065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.152065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.152065 (E_RNA) where: Base-Base interactions energy: -708.303 where: short stacking energy: -323.604 Base-Backbone interact. energy: -3.906 local terms energy: -371.943853 where: bonds (distance) C4'-P energy: -64.779 bonds (distance) P-C4' energy: -79.252 flat angles C4'-P-C4' energy: -81.097 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: -91.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1056.363953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.363953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.363953 (E_RNA) where: Base-Base interactions energy: -680.819 where: short stacking energy: -310.828 Base-Backbone interact. energy: -0.215 local terms energy: -375.330526 where: bonds (distance) C4'-P energy: -60.551 bonds (distance) P-C4' energy: -81.090 flat angles C4'-P-C4' energy: -84.930 flat angles P-C4'-P energy: -59.229 tors. eta vs tors. theta energy: -89.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -775.015860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.015860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.015860 (E_RNA) where: Base-Base interactions energy: -489.563 where: short stacking energy: -235.951 Base-Backbone interact. energy: -1.739 local terms energy: -283.713069 where: bonds (distance) C4'-P energy: -52.753 bonds (distance) P-C4' energy: -67.669 flat angles C4'-P-C4' energy: -66.150 flat angles P-C4'-P energy: -49.382 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: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -711.256532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.256532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.256532 (E_RNA) where: Base-Base interactions energy: -429.315 where: short stacking energy: -199.303 Base-Backbone interact. energy: 0.605 local terms energy: -282.546389 where: bonds (distance) C4'-P energy: -61.137 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -75.700 flat angles P-C4'-P energy: -36.244 tors. eta vs tors. theta energy: -45.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -353.768437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.768437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.768437 (E_RNA) where: Base-Base interactions energy: -120.450 where: short stacking energy: -92.303 Base-Backbone interact. energy: -0.334 local terms energy: -232.985207 where: bonds (distance) C4'-P energy: -69.975 bonds (distance) P-C4' energy: -69.595 flat angles C4'-P-C4' energy: -74.864 flat angles P-C4'-P energy: -32.542 tors. eta vs tors. theta energy: 13.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -388.652328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.652328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.652328 (E_RNA) where: Base-Base interactions energy: -176.022 where: short stacking energy: -105.338 Base-Backbone interact. energy: -0.068 local terms energy: -212.561812 where: bonds (distance) C4'-P energy: -63.281 bonds (distance) P-C4' energy: -63.870 flat angles C4'-P-C4' energy: -46.053 flat angles P-C4'-P energy: -34.433 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -311.165221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.165221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.165221 (E_RNA) where: Base-Base interactions energy: -98.681 where: short stacking energy: -80.721 Base-Backbone interact. energy: 1.700 local terms energy: -214.183984 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -77.334 flat angles C4'-P-C4' energy: -59.395 flat angles P-C4'-P energy: -22.638 tors. eta vs tors. theta energy: 3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1366.551369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.551369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.551369 (E_RNA) where: Base-Base interactions energy: -938.634 where: short stacking energy: -379.684 Base-Backbone interact. energy: -3.270 local terms energy: -424.647714 where: bonds (distance) C4'-P energy: -77.445 bonds (distance) P-C4' energy: -75.796 flat angles C4'-P-C4' energy: -86.724 flat angles P-C4'-P energy: -69.194 tors. eta vs tors. theta energy: -115.488 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: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1260.747269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.747269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.747269 (E_RNA) where: Base-Base interactions energy: -864.433 where: short stacking energy: -378.029 Base-Backbone interact. energy: 0.805 local terms energy: -397.119857 where: bonds (distance) C4'-P energy: -60.873 bonds (distance) P-C4' energy: -73.886 flat angles C4'-P-C4' energy: -84.996 flat angles P-C4'-P energy: -60.171 tors. eta vs tors. theta energy: -117.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1211.277647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.277647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.277647 (E_RNA) where: Base-Base interactions energy: -806.999 where: short stacking energy: -347.515 Base-Backbone interact. energy: 0.715 local terms energy: -404.993515 where: bonds (distance) C4'-P energy: -74.600 bonds (distance) P-C4' energy: -80.205 flat angles C4'-P-C4' energy: -70.036 flat angles P-C4'-P energy: -65.284 tors. eta vs tors. theta energy: -114.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1050.823483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.823483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.823483 (E_RNA) where: Base-Base interactions energy: -677.497 where: short stacking energy: -326.134 Base-Backbone interact. energy: -1.986 local terms energy: -371.341167 where: bonds (distance) C4'-P energy: -66.214 bonds (distance) P-C4' energy: -82.031 flat angles C4'-P-C4' energy: -82.483 flat angles P-C4'-P energy: -51.348 tors. eta vs tors. theta energy: -89.265 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: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1051.315252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.315252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.315252 (E_RNA) where: Base-Base interactions energy: -709.541 where: short stacking energy: -312.303 Base-Backbone interact. energy: 0.704 local terms energy: -342.477993 where: bonds (distance) C4'-P energy: -67.290 bonds (distance) P-C4' energy: -62.121 flat angles C4'-P-C4' energy: -68.756 flat angles P-C4'-P energy: -59.513 tors. eta vs tors. theta energy: -84.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -799.633337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.633337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.633337 (E_RNA) where: Base-Base interactions energy: -459.103 where: short stacking energy: -222.043 Base-Backbone interact. energy: -3.309 local terms energy: -337.221965 where: bonds (distance) C4'-P energy: -83.699 bonds (distance) P-C4' energy: -75.032 flat angles C4'-P-C4' energy: -75.430 flat angles P-C4'-P energy: -51.866 tors. eta vs tors. theta energy: -51.195 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: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -686.948120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.948120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.948120 (E_RNA) where: Base-Base interactions energy: -417.617 where: short stacking energy: -204.414 Base-Backbone interact. energy: -3.556 local terms energy: -265.775323 where: bonds (distance) C4'-P energy: -64.961 bonds (distance) P-C4' energy: -63.941 flat angles C4'-P-C4' energy: -55.532 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -41.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -433.196331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.196331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.196331 (E_RNA) where: Base-Base interactions energy: -194.204 where: short stacking energy: -116.452 Base-Backbone interact. energy: -1.072 local terms energy: -237.919741 where: bonds (distance) C4'-P energy: -70.025 bonds (distance) P-C4' energy: -77.558 flat angles C4'-P-C4' energy: -56.975 flat angles P-C4'-P energy: -33.962 tors. eta vs tors. theta energy: 0.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -342.511823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.511823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.511823 (E_RNA) where: Base-Base interactions energy: -149.187 where: short stacking energy: -114.076 Base-Backbone interact. energy: 1.436 local terms energy: -194.761768 where: bonds (distance) C4'-P energy: -42.059 bonds (distance) P-C4' energy: -61.897 flat angles C4'-P-C4' energy: -52.515 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: -1.710 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: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -308.224198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.224198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.224198 (E_RNA) where: Base-Base interactions energy: -96.903 where: short stacking energy: -86.430 Base-Backbone interact. energy: -0.087 local terms energy: -211.234999 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -56.286 flat angles C4'-P-C4' energy: -65.878 flat angles P-C4'-P energy: -37.196 tors. eta vs tors. theta energy: 4.342 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: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1350.986948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.986948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.986948 (E_RNA) where: Base-Base interactions energy: -934.425 where: short stacking energy: -389.404 Base-Backbone interact. energy: -2.830 local terms energy: -413.732144 where: bonds (distance) C4'-P energy: -77.335 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -83.898 flat angles P-C4'-P energy: -65.129 tors. eta vs tors. theta energy: -110.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1254.415150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.415150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.415150 (E_RNA) where: Base-Base interactions energy: -848.602 where: short stacking energy: -357.388 Base-Backbone interact. energy: 1.706 local terms energy: -407.519718 where: bonds (distance) C4'-P energy: -67.093 bonds (distance) P-C4' energy: -65.902 flat angles C4'-P-C4' energy: -94.173 flat angles P-C4'-P energy: -70.016 tors. eta vs tors. theta energy: -110.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1221.504240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.504240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.504240 (E_RNA) where: Base-Base interactions energy: -801.093 where: short stacking energy: -348.134 Base-Backbone interact. energy: -3.139 local terms energy: -417.272212 where: bonds (distance) C4'-P energy: -74.972 bonds (distance) P-C4' energy: -79.266 flat angles C4'-P-C4' energy: -87.940 flat angles P-C4'-P energy: -60.642 tors. eta vs tors. theta energy: -114.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1074.925199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.925199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.925199 (E_RNA) where: Base-Base interactions energy: -678.408 where: short stacking energy: -342.393 Base-Backbone interact. energy: -1.742 local terms energy: -394.775292 where: bonds (distance) C4'-P energy: -74.119 bonds (distance) P-C4' energy: -81.535 flat angles C4'-P-C4' energy: -89.867 flat angles P-C4'-P energy: -49.776 tors. eta vs tors. theta energy: -99.479 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: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1084.453257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.453257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.453257 (E_RNA) where: Base-Base interactions energy: -716.976 where: short stacking energy: -331.618 Base-Backbone interact. energy: -2.182 local terms energy: -365.295210 where: bonds (distance) C4'-P energy: -60.358 bonds (distance) P-C4' energy: -78.428 flat angles C4'-P-C4' energy: -76.664 flat angles P-C4'-P energy: -54.579 tors. eta vs tors. theta energy: -95.267 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: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -803.576992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.576992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.576992 (E_RNA) where: Base-Base interactions energy: -488.496 where: short stacking energy: -260.409 Base-Backbone interact. energy: 1.044 local terms energy: -316.125000 where: bonds (distance) C4'-P energy: -76.767 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -69.139 flat angles P-C4'-P energy: -50.039 tors. eta vs tors. theta energy: -57.699 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: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -740.316171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.316171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.316171 (E_RNA) where: Base-Base interactions energy: -441.171 where: short stacking energy: -220.106 Base-Backbone interact. energy: -1.038 local terms energy: -298.106589 where: bonds (distance) C4'-P energy: -71.250 bonds (distance) P-C4' energy: -70.131 flat angles C4'-P-C4' energy: -71.613 flat angles P-C4'-P energy: -35.751 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: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -450.910340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.910340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.910340 (E_RNA) where: Base-Base interactions energy: -214.534 where: short stacking energy: -126.831 Base-Backbone interact. energy: -1.645 local terms energy: -234.731225 where: bonds (distance) C4'-P energy: -62.871 bonds (distance) P-C4' energy: -68.891 flat angles C4'-P-C4' energy: -48.598 flat angles P-C4'-P energy: -49.173 tors. eta vs tors. theta energy: -5.198 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: 418 Temperature: 1.300000 Total energy: -344.387054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.387054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.387054 (E_RNA) where: Base-Base interactions energy: -118.904 where: short stacking energy: -101.836 Base-Backbone interact. energy: 0.550 local terms energy: -226.032280 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -56.390 flat angles C4'-P-C4' energy: -56.054 flat angles P-C4'-P energy: -45.581 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -314.860835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.860835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.860835 (E_RNA) where: Base-Base interactions energy: -117.633 where: short stacking energy: -96.486 Base-Backbone interact. energy: 2.511 local terms energy: -199.739228 where: bonds (distance) C4'-P energy: -61.231 bonds (distance) P-C4' energy: -76.575 flat angles C4'-P-C4' energy: -42.757 flat angles P-C4'-P energy: -30.666 tors. eta vs tors. theta energy: 11.490 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: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1328.939030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.939030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.939030 (E_RNA) where: Base-Base interactions energy: -908.991 where: short stacking energy: -375.135 Base-Backbone interact. energy: -1.642 local terms energy: -418.305422 where: bonds (distance) C4'-P energy: -69.623 bonds (distance) P-C4' energy: -82.248 flat angles C4'-P-C4' energy: -88.697 flat angles P-C4'-P energy: -57.936 tors. eta vs tors. theta energy: -119.801 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: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1251.817863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.817863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.817863 (E_RNA) where: Base-Base interactions energy: -838.779 where: short stacking energy: -378.622 Base-Backbone interact. energy: 1.069 local terms energy: -414.107691 where: bonds (distance) C4'-P energy: -82.842 bonds (distance) P-C4' energy: -79.112 flat angles C4'-P-C4' energy: -82.397 flat angles P-C4'-P energy: -53.680 tors. eta vs tors. theta energy: -116.077 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: 419 Temperature: 1.000000 Total energy: -1189.669130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.669130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.669130 (E_RNA) where: Base-Base interactions energy: -782.447 where: short stacking energy: -355.487 Base-Backbone interact. energy: -0.105 local terms energy: -407.116912 where: bonds (distance) C4'-P energy: -75.328 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -89.913 flat angles P-C4'-P energy: -54.330 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: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1053.332230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.332230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.332230 (E_RNA) where: Base-Base interactions energy: -690.801 where: short stacking energy: -323.322 Base-Backbone interact. energy: 1.279 local terms energy: -363.809758 where: bonds (distance) C4'-P energy: -76.583 bonds (distance) P-C4' energy: -55.637 flat angles C4'-P-C4' energy: -88.728 flat angles P-C4'-P energy: -53.871 tors. eta vs tors. theta energy: -88.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1029.083140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.083140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.083140 (E_RNA) where: Base-Base interactions energy: -686.711 where: short stacking energy: -305.326 Base-Backbone interact. energy: -0.814 local terms energy: -341.558554 where: bonds (distance) C4'-P energy: -68.596 bonds (distance) P-C4' energy: -71.092 flat angles C4'-P-C4' energy: -78.045 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -82.673 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: 6, replica: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -767.113946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.113946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.113946 (E_RNA) where: Base-Base interactions energy: -454.759 where: short stacking energy: -225.575 Base-Backbone interact. energy: 1.538 local terms energy: -313.892120 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -76.475 flat angles P-C4'-P energy: -41.654 tors. eta vs tors. theta energy: -56.406 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: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -740.462082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.462082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.462082 (E_RNA) where: Base-Base interactions energy: -432.374 where: short stacking energy: -210.644 Base-Backbone interact. energy: -0.811 local terms energy: -307.276959 where: bonds (distance) C4'-P energy: -69.676 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -77.093 flat angles P-C4'-P energy: -51.082 tors. eta vs tors. theta energy: -43.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -495.919051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.919051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.919051 (E_RNA) where: Base-Base interactions energy: -234.292 where: short stacking energy: -141.466 Base-Backbone interact. energy: -1.873 local terms energy: -259.753439 where: bonds (distance) C4'-P energy: -72.736 bonds (distance) P-C4' energy: -68.213 flat angles C4'-P-C4' energy: -76.844 flat angles P-C4'-P energy: -41.281 tors. eta vs tors. theta energy: -0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -331.003179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.003179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.003179 (E_RNA) where: Base-Base interactions energy: -118.370 where: short stacking energy: -83.600 Base-Backbone interact. energy: -1.545 local terms energy: -211.088334 where: bonds (distance) C4'-P energy: -71.367 bonds (distance) P-C4' energy: -64.510 flat angles C4'-P-C4' energy: -49.657 flat angles P-C4'-P energy: -35.008 tors. eta vs tors. theta energy: 9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -312.400274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.400274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.400274 (E_RNA) where: Base-Base interactions energy: -118.587 where: short stacking energy: -72.139 Base-Backbone interact. energy: 3.655 local terms energy: -197.469008 where: bonds (distance) C4'-P energy: -63.108 bonds (distance) P-C4' energy: -64.919 flat angles C4'-P-C4' energy: -46.322 flat angles P-C4'-P energy: -32.186 tors. eta vs tors. theta energy: 9.066 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: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1366.848265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.848265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.848265 (E_RNA) where: Base-Base interactions energy: -937.111 where: short stacking energy: -389.396 Base-Backbone interact. energy: -1.849 local terms energy: -427.888564 where: bonds (distance) C4'-P energy: -66.025 bonds (distance) P-C4' energy: -89.644 flat angles C4'-P-C4' energy: -87.276 flat angles P-C4'-P energy: -65.180 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: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1246.977639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.977639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.977639 (E_RNA) where: Base-Base interactions energy: -837.597 where: short stacking energy: -357.871 Base-Backbone interact. energy: -0.524 local terms energy: -408.856705 where: bonds (distance) C4'-P energy: -72.693 bonds (distance) P-C4' energy: -89.110 flat angles C4'-P-C4' energy: -85.487 flat angles P-C4'-P energy: -58.185 tors. eta vs tors. theta energy: -103.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1173.403837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.403837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.403837 (E_RNA) where: Base-Base interactions energy: -791.725 where: short stacking energy: -356.791 Base-Backbone interact. energy: 2.238 local terms energy: -383.916779 where: bonds (distance) C4'-P energy: -66.110 bonds (distance) P-C4' energy: -69.739 flat angles C4'-P-C4' energy: -82.880 flat angles P-C4'-P energy: -57.121 tors. eta vs tors. theta energy: -108.066 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: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1025.163227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.163227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.163227 (E_RNA) where: Base-Base interactions energy: -679.457 where: short stacking energy: -293.929 Base-Backbone interact. energy: -0.209 local terms energy: -345.496516 where: bonds (distance) C4'-P energy: -67.383 bonds (distance) P-C4' energy: -86.897 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -49.659 tors. eta vs tors. theta energy: -71.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1004.312587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.312587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.312587 (E_RNA) where: Base-Base interactions energy: -656.998 where: short stacking energy: -292.689 Base-Backbone interact. energy: 0.277 local terms energy: -347.591337 where: bonds (distance) C4'-P energy: -60.762 bonds (distance) P-C4' energy: -69.618 flat angles C4'-P-C4' energy: -79.289 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -85.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -787.705080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.705080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.705080 (E_RNA) where: Base-Base interactions energy: -491.150 where: short stacking energy: -229.253 Base-Backbone interact. energy: 0.127 local terms energy: -296.682054 where: bonds (distance) C4'-P energy: -60.539 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -76.779 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -43.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -757.622570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.622570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.622570 (E_RNA) where: Base-Base interactions energy: -458.244 where: short stacking energy: -202.879 Base-Backbone interact. energy: -3.354 local terms energy: -296.024783 where: bonds (distance) C4'-P energy: -66.609 bonds (distance) P-C4' energy: -81.697 flat angles C4'-P-C4' energy: -65.051 flat angles P-C4'-P energy: -38.525 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: 8, replica: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -450.589112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.589112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.589112 (E_RNA) where: Base-Base interactions energy: -203.348 where: short stacking energy: -131.344 Base-Backbone interact. energy: -1.765 local terms energy: -245.476466 where: bonds (distance) C4'-P energy: -71.969 bonds (distance) P-C4' energy: -76.334 flat angles C4'-P-C4' energy: -57.428 flat angles P-C4'-P energy: -37.801 tors. eta vs tors. theta energy: -1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -347.889711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.889711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.889711 (E_RNA) where: Base-Base interactions energy: -118.722 where: short stacking energy: -82.060 Base-Backbone interact. energy: -0.699 local terms energy: -228.468699 where: bonds (distance) C4'-P energy: -55.883 bonds (distance) P-C4' energy: -69.433 flat angles C4'-P-C4' energy: -73.324 flat angles P-C4'-P energy: -34.277 tors. eta vs tors. theta energy: 4.449 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: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -311.900339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.900339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.900339 (E_RNA) where: Base-Base interactions energy: -113.814 where: short stacking energy: -88.482 Base-Backbone interact. energy: 4.218 local terms energy: -202.303981 where: bonds (distance) C4'-P energy: -56.440 bonds (distance) P-C4' energy: -70.493 flat angles C4'-P-C4' energy: -61.828 flat angles P-C4'-P energy: -25.671 tors. eta vs tors. theta energy: 12.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1356.578651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.578651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.578651 (E_RNA) where: Base-Base interactions energy: -928.169 where: short stacking energy: -389.561 Base-Backbone interact. energy: -0.863 local terms energy: -427.546648 where: bonds (distance) C4'-P energy: -81.724 bonds (distance) P-C4' energy: -79.754 flat angles C4'-P-C4' energy: -93.122 flat angles P-C4'-P energy: -54.616 tors. eta vs tors. theta energy: -118.330 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: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1271.852190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.852190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.852190 (E_RNA) where: Base-Base interactions energy: -848.320 where: short stacking energy: -375.880 Base-Backbone interact. energy: -2.987 local terms energy: -420.545593 where: bonds (distance) C4'-P energy: -71.357 bonds (distance) P-C4' energy: -89.531 flat angles C4'-P-C4' energy: -85.365 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: -119.857 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: 3, replica: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1194.601406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.601406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.601406 (E_RNA) where: Base-Base interactions energy: -794.946 where: short stacking energy: -371.069 Base-Backbone interact. energy: 0.246 local terms energy: -399.901644 where: bonds (distance) C4'-P energy: -79.381 bonds (distance) P-C4' energy: -69.550 flat angles C4'-P-C4' energy: -84.555 flat angles P-C4'-P energy: -56.329 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: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1040.230283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.230283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.230283 (E_RNA) where: Base-Base interactions energy: -693.250 where: short stacking energy: -318.800 Base-Backbone interact. energy: -3.051 local terms energy: -343.929981 where: bonds (distance) C4'-P energy: -70.043 bonds (distance) P-C4' energy: -68.959 flat angles C4'-P-C4' energy: -67.057 flat angles P-C4'-P energy: -40.867 tors. eta vs tors. theta energy: -97.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -999.059145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.059145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.059145 (E_RNA) where: Base-Base interactions energy: -670.494 where: short stacking energy: -285.349 Base-Backbone interact. energy: -2.168 local terms energy: -326.397396 where: bonds (distance) C4'-P energy: -60.351 bonds (distance) P-C4' energy: -66.478 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -49.959 tors. eta vs tors. theta energy: -77.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -816.594333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.594333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.594333 (E_RNA) where: Base-Base interactions energy: -527.648 where: short stacking energy: -227.163 Base-Backbone interact. energy: -1.664 local terms energy: -287.281881 where: bonds (distance) C4'-P energy: -59.803 bonds (distance) P-C4' energy: -71.045 flat angles C4'-P-C4' energy: -64.954 flat angles P-C4'-P energy: -46.734 tors. eta vs tors. theta energy: -44.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -749.412854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.412854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.412854 (E_RNA) where: Base-Base interactions energy: -456.899 where: short stacking energy: -201.302 Base-Backbone interact. energy: -2.287 local terms energy: -290.226151 where: bonds (distance) C4'-P energy: -66.919 bonds (distance) P-C4' energy: -73.987 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -34.366 tors. eta vs tors. theta energy: -43.064 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: 8, replica: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -433.482102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.482102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.482102 (E_RNA) where: Base-Base interactions energy: -191.031 where: short stacking energy: -135.803 Base-Backbone interact. energy: 0.495 local terms energy: -242.946447 where: bonds (distance) C4'-P energy: -60.847 bonds (distance) P-C4' energy: -67.577 flat angles C4'-P-C4' energy: -67.626 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -315.634238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.634238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.634238 (E_RNA) where: Base-Base interactions energy: -104.273 where: short stacking energy: -76.841 Base-Backbone interact. energy: -1.586 local terms energy: -209.774536 where: bonds (distance) C4'-P energy: -59.616 bonds (distance) P-C4' energy: -75.985 flat angles C4'-P-C4' energy: -51.799 flat angles P-C4'-P energy: -38.247 tors. eta vs tors. theta energy: 15.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -432.301885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.301885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.301885 (E_RNA) where: Base-Base interactions energy: -219.687 where: short stacking energy: -120.562 Base-Backbone interact. energy: -2.663 local terms energy: -209.951750 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -73.389 flat angles C4'-P-C4' energy: -36.787 flat angles P-C4'-P energy: -30.106 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1358.700041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.700041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.700041 (E_RNA) where: Base-Base interactions energy: -929.809 where: short stacking energy: -397.637 Base-Backbone interact. energy: -1.595 local terms energy: -427.295706 where: bonds (distance) C4'-P energy: -76.865 bonds (distance) P-C4' energy: -77.352 flat angles C4'-P-C4' energy: -84.958 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -127.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1270.534205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.534205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.534205 (E_RNA) where: Base-Base interactions energy: -858.576 where: short stacking energy: -385.681 Base-Backbone interact. energy: -1.867 local terms energy: -410.091453 where: bonds (distance) C4'-P energy: -70.384 bonds (distance) P-C4' energy: -71.704 flat angles C4'-P-C4' energy: -86.570 flat angles P-C4'-P energy: -63.311 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: 3, replica: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1196.480657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.480657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.480657 (E_RNA) where: Base-Base interactions energy: -773.806 where: short stacking energy: -354.367 Base-Backbone interact. energy: -1.478 local terms energy: -421.196398 where: bonds (distance) C4'-P energy: -80.089 bonds (distance) P-C4' energy: -78.977 flat angles C4'-P-C4' energy: -91.480 flat angles P-C4'-P energy: -58.645 tors. eta vs tors. theta energy: -112.006 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: 4, replica: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1088.498258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.498258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.498258 (E_RNA) where: Base-Base interactions energy: -704.790 where: short stacking energy: -331.299 Base-Backbone interact. energy: -0.344 local terms energy: -383.364933 where: bonds (distance) C4'-P energy: -64.234 bonds (distance) P-C4' energy: -80.597 flat angles C4'-P-C4' energy: -83.290 flat angles P-C4'-P energy: -52.768 tors. eta vs tors. theta energy: -102.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1040.476786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.476786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.476786 (E_RNA) where: Base-Base interactions energy: -653.506 where: short stacking energy: -307.087 Base-Backbone interact. energy: -0.912 local terms energy: -386.058978 where: bonds (distance) C4'-P energy: -64.089 bonds (distance) P-C4' energy: -81.599 flat angles C4'-P-C4' energy: -82.952 flat angles P-C4'-P energy: -55.509 tors. eta vs tors. theta energy: -101.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -820.047173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.047173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.047173 (E_RNA) where: Base-Base interactions energy: -496.839 where: short stacking energy: -229.585 Base-Backbone interact. energy: -1.094 local terms energy: -322.114153 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -67.343 flat angles C4'-P-C4' energy: -81.214 flat angles P-C4'-P energy: -53.535 tors. eta vs tors. theta energy: -58.433 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: 7, replica: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -793.296876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.296876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.296876 (E_RNA) where: Base-Base interactions energy: -517.395 where: short stacking energy: -224.395 Base-Backbone interact. energy: -1.853 local terms energy: -274.049548 where: bonds (distance) C4'-P energy: -76.954 bonds (distance) P-C4' energy: -58.944 flat angles C4'-P-C4' energy: -59.545 flat angles P-C4'-P energy: -39.571 tors. eta vs tors. theta energy: -39.036 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: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -419.626965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.626965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.626965 (E_RNA) where: Base-Base interactions energy: -192.688 where: short stacking energy: -125.484 Base-Backbone interact. energy: 1.275 local terms energy: -228.214479 where: bonds (distance) C4'-P energy: -64.910 bonds (distance) P-C4' energy: -74.101 flat angles C4'-P-C4' energy: -60.053 flat angles P-C4'-P energy: -33.118 tors. eta vs tors. theta energy: 3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -420.174194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.174194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.174194 (E_RNA) where: Base-Base interactions energy: -226.528 where: short stacking energy: -101.291 Base-Backbone interact. energy: 5.799 local terms energy: -199.445178 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -65.545 flat angles C4'-P-C4' energy: -49.167 flat angles P-C4'-P energy: -27.811 tors. eta vs tors. theta energy: 1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -307.929225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.929225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.929225 (E_RNA) where: Base-Base interactions energy: -89.672 where: short stacking energy: -71.497 Base-Backbone interact. energy: 3.888 local terms energy: -222.144597 where: bonds (distance) C4'-P energy: -68.664 bonds (distance) P-C4' energy: -80.208 flat angles C4'-P-C4' energy: -57.340 flat angles P-C4'-P energy: -29.723 tors. eta vs tors. theta energy: 13.790 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: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1376.223889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.223889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.223889 (E_RNA) where: Base-Base interactions energy: -932.589 where: short stacking energy: -395.582 Base-Backbone interact. energy: -0.684 local terms energy: -442.950758 where: bonds (distance) C4'-P energy: -78.724 bonds (distance) P-C4' energy: -85.066 flat angles C4'-P-C4' energy: -97.207 flat angles P-C4'-P energy: -63.192 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: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1252.655532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.655532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.655532 (E_RNA) where: Base-Base interactions energy: -835.057 where: short stacking energy: -364.398 Base-Backbone interact. energy: 1.414 local terms energy: -419.011831 where: bonds (distance) C4'-P energy: -71.634 bonds (distance) P-C4' energy: -80.198 flat angles C4'-P-C4' energy: -91.828 flat angles P-C4'-P energy: -63.200 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: 3, replica: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1214.491744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.491744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.491744 (E_RNA) where: Base-Base interactions energy: -805.512 where: short stacking energy: -358.635 Base-Backbone interact. energy: -1.903 local terms energy: -407.076491 where: bonds (distance) C4'-P energy: -81.771 bonds (distance) P-C4' energy: -74.031 flat angles C4'-P-C4' energy: -85.982 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: -108.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1088.673587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.673587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.673587 (E_RNA) where: Base-Base interactions energy: -728.687 where: short stacking energy: -323.887 Base-Backbone interact. energy: -0.100 local terms energy: -359.886572 where: bonds (distance) C4'-P energy: -71.300 bonds (distance) P-C4' energy: -66.188 flat angles C4'-P-C4' energy: -72.899 flat angles P-C4'-P energy: -57.603 tors. eta vs tors. theta energy: -91.896 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: 5, replica: 5 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1086.911030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.911030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.911030 (E_RNA) where: Base-Base interactions energy: -708.633 where: short stacking energy: -308.307 Base-Backbone interact. energy: 0.540 local terms energy: -378.818191 where: bonds (distance) C4'-P energy: -71.192 bonds (distance) P-C4' energy: -72.410 flat angles C4'-P-C4' energy: -82.181 flat angles P-C4'-P energy: -55.958 tors. eta vs tors. theta energy: -97.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -796.824773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.824773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.824773 (E_RNA) where: Base-Base interactions energy: -512.398 where: short stacking energy: -235.436 Base-Backbone interact. energy: -2.105 local terms energy: -282.321892 where: bonds (distance) C4'-P energy: -51.935 bonds (distance) P-C4' energy: -58.182 flat angles C4'-P-C4' energy: -68.516 flat angles P-C4'-P energy: -48.918 tors. eta vs tors. theta energy: -54.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -782.840760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.840760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.840760 (E_RNA) where: Base-Base interactions energy: -458.950 where: short stacking energy: -199.179 Base-Backbone interact. energy: -0.833 local terms energy: -323.057389 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -76.839 flat angles C4'-P-C4' energy: -74.232 flat angles P-C4'-P energy: -52.504 tors. eta vs tors. theta energy: -55.915 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: 423 Temperature: 1.250000 Total energy: -438.255710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.255710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.255710 (E_RNA) where: Base-Base interactions energy: -206.109 where: short stacking energy: -121.066 Base-Backbone interact. energy: 0.809 local terms energy: -232.955173 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -51.985 flat angles C4'-P-C4' energy: -64.527 flat angles P-C4'-P energy: -40.400 tors. eta vs tors. theta energy: -14.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -390.445659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.445659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.445659 (E_RNA) where: Base-Base interactions energy: -149.120 where: short stacking energy: -101.404 Base-Backbone interact. energy: 0.060 local terms energy: -241.385401 where: bonds (distance) C4'-P energy: -60.291 bonds (distance) P-C4' energy: -79.325 flat angles C4'-P-C4' energy: -60.817 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: 1.212 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: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -313.457568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.457568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.457568 (E_RNA) where: Base-Base interactions energy: -97.237 where: short stacking energy: -78.793 Base-Backbone interact. energy: -1.910 local terms energy: -214.310111 where: bonds (distance) C4'-P energy: -63.769 bonds (distance) P-C4' energy: -72.505 flat angles C4'-P-C4' energy: -57.876 flat angles P-C4'-P energy: -33.097 tors. eta vs tors. theta energy: 12.936 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: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1366.788097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.788097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.788097 (E_RNA) where: Base-Base interactions energy: -949.437 where: short stacking energy: -395.394 Base-Backbone interact. energy: -1.666 local terms energy: -415.685428 where: bonds (distance) C4'-P energy: -79.497 bonds (distance) P-C4' energy: -79.248 flat angles C4'-P-C4' energy: -84.670 flat angles P-C4'-P energy: -59.016 tors. eta vs tors. theta energy: -113.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1280.560954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.560954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.560954 (E_RNA) where: Base-Base interactions energy: -876.133 where: short stacking energy: -371.210 Base-Backbone interact. energy: -2.201 local terms energy: -402.226930 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -86.524 flat angles C4'-P-C4' energy: -82.184 flat angles P-C4'-P energy: -58.816 tors. eta vs tors. theta energy: -109.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1177.629221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.629221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.629221 (E_RNA) where: Base-Base interactions energy: -780.853 where: short stacking energy: -340.162 Base-Backbone interact. energy: 1.865 local terms energy: -398.640448 where: bonds (distance) C4'-P energy: -70.794 bonds (distance) P-C4' energy: -84.076 flat angles C4'-P-C4' energy: -80.644 flat angles P-C4'-P energy: -60.838 tors. eta vs tors. theta energy: -102.289 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: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1092.542512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.542512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.542512 (E_RNA) where: Base-Base interactions energy: -726.281 where: short stacking energy: -316.295 Base-Backbone interact. energy: -0.041 local terms energy: -366.220462 where: bonds (distance) C4'-P energy: -65.318 bonds (distance) P-C4' energy: -76.563 flat angles C4'-P-C4' energy: -70.807 flat angles P-C4'-P energy: -51.246 tors. eta vs tors. theta energy: -102.287 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: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1130.569368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.569368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.569368 (E_RNA) where: Base-Base interactions energy: -742.345 where: short stacking energy: -344.186 Base-Backbone interact. energy: 0.193 local terms energy: -388.417068 where: bonds (distance) C4'-P energy: -78.000 bonds (distance) P-C4' energy: -71.120 flat angles C4'-P-C4' energy: -83.310 flat angles P-C4'-P energy: -51.651 tors. eta vs tors. theta energy: -104.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -808.199211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.199211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.199211 (E_RNA) where: Base-Base interactions energy: -495.946 where: short stacking energy: -240.715 Base-Backbone interact. energy: -1.858 local terms energy: -310.395063 where: bonds (distance) C4'-P energy: -73.577 bonds (distance) P-C4' energy: -71.363 flat angles C4'-P-C4' energy: -71.226 flat angles P-C4'-P energy: -49.601 tors. eta vs tors. theta energy: -44.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -798.607277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.607277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.607277 (E_RNA) where: Base-Base interactions energy: -492.713 where: short stacking energy: -235.125 Base-Backbone interact. energy: -1.613 local terms energy: -304.280906 where: bonds (distance) C4'-P energy: -65.865 bonds (distance) P-C4' energy: -67.869 flat angles C4'-P-C4' energy: -63.010 flat angles P-C4'-P energy: -43.403 tors. eta vs tors. theta energy: -64.133 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: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -470.233353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.233353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.233353 (E_RNA) where: Base-Base interactions energy: -234.925 where: short stacking energy: -126.493 Base-Backbone interact. energy: -2.888 local terms energy: -232.419757 where: bonds (distance) C4'-P energy: -69.171 bonds (distance) P-C4' energy: -79.219 flat angles C4'-P-C4' energy: -54.681 flat angles P-C4'-P energy: -32.139 tors. eta vs tors. theta energy: 2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -403.246070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.246070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.246070 (E_RNA) where: Base-Base interactions energy: -163.448 where: short stacking energy: -103.330 Base-Backbone interact. energy: 0.147 local terms energy: -239.945200 where: bonds (distance) C4'-P energy: -64.943 bonds (distance) P-C4' energy: -77.136 flat angles C4'-P-C4' energy: -71.135 flat angles P-C4'-P energy: -28.335 tors. eta vs tors. theta energy: 1.604 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: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -310.243341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.243341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.243341 (E_RNA) where: Base-Base interactions energy: -110.659 where: short stacking energy: -91.453 Base-Backbone interact. energy: -0.746 local terms energy: -198.838551 where: bonds (distance) C4'-P energy: -65.772 bonds (distance) P-C4' energy: -70.744 flat angles C4'-P-C4' energy: -38.299 flat angles P-C4'-P energy: -34.097 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: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1398.274187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.274187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.274187 (E_RNA) where: Base-Base interactions energy: -966.466 where: short stacking energy: -405.124 Base-Backbone interact. energy: -0.952 local terms energy: -430.856789 where: bonds (distance) C4'-P energy: -78.093 bonds (distance) P-C4' energy: -83.518 flat angles C4'-P-C4' energy: -88.088 flat angles P-C4'-P energy: -64.407 tors. eta vs tors. theta energy: -116.751 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: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1285.943798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.943798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.943798 (E_RNA) where: Base-Base interactions energy: -876.769 where: short stacking energy: -374.223 Base-Backbone interact. energy: -0.412 local terms energy: -408.762246 where: bonds (distance) C4'-P energy: -74.467 bonds (distance) P-C4' energy: -83.196 flat angles C4'-P-C4' energy: -91.957 flat angles P-C4'-P energy: -54.351 tors. eta vs tors. theta energy: -104.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1187.231389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.231389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.231389 (E_RNA) where: Base-Base interactions energy: -772.256 where: short stacking energy: -354.235 Base-Backbone interact. energy: -0.930 local terms energy: -414.045329 where: bonds (distance) C4'-P energy: -85.471 bonds (distance) P-C4' energy: -79.198 flat angles C4'-P-C4' energy: -82.025 flat angles P-C4'-P energy: -56.479 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: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1132.456537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.456537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.456537 (E_RNA) where: Base-Base interactions energy: -752.401 where: short stacking energy: -323.306 Base-Backbone interact. energy: -0.650 local terms energy: -379.406134 where: bonds (distance) C4'-P energy: -89.108 bonds (distance) P-C4' energy: -51.822 flat angles C4'-P-C4' energy: -89.663 flat angles P-C4'-P energy: -53.367 tors. eta vs tors. theta energy: -95.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1004.534404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.534404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.534404 (E_RNA) where: Base-Base interactions energy: -655.540 where: short stacking energy: -287.604 Base-Backbone interact. energy: 0.464 local terms energy: -349.457943 where: bonds (distance) C4'-P energy: -73.828 bonds (distance) P-C4' energy: -83.959 flat angles C4'-P-C4' energy: -70.874 flat angles P-C4'-P energy: -34.332 tors. eta vs tors. theta energy: -86.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -858.613696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.613696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.613696 (E_RNA) where: Base-Base interactions energy: -534.997 where: short stacking energy: -235.824 Base-Backbone interact. energy: -0.240 local terms energy: -323.376506 where: bonds (distance) C4'-P energy: -72.262 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -69.518 flat angles P-C4'-P energy: -59.216 tors. eta vs tors. theta energy: -55.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -740.688769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.688769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.688769 (E_RNA) where: Base-Base interactions energy: -466.241 where: short stacking energy: -224.316 Base-Backbone interact. energy: -0.816 local terms energy: -273.632150 where: bonds (distance) C4'-P energy: -59.191 bonds (distance) P-C4' energy: -66.590 flat angles C4'-P-C4' energy: -72.703 flat angles P-C4'-P energy: -34.430 tors. eta vs tors. theta energy: -40.719 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: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -439.908126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.908126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.908126 (E_RNA) where: Base-Base interactions energy: -200.523 where: short stacking energy: -133.190 Base-Backbone interact. energy: 0.233 local terms energy: -239.618516 where: bonds (distance) C4'-P energy: -72.023 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -64.434 flat angles P-C4'-P energy: -35.304 tors. eta vs tors. theta energy: -3.456 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: 425 Temperature: 1.300000 Total energy: -417.142285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.142285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.142285 (E_RNA) where: Base-Base interactions energy: -207.634 where: short stacking energy: -120.011 Base-Backbone interact. energy: 0.952 local terms energy: -210.460191 where: bonds (distance) C4'-P energy: -59.705 bonds (distance) P-C4' energy: -66.254 flat angles C4'-P-C4' energy: -52.210 flat angles P-C4'-P energy: -31.479 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: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -317.553334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.553334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.553334 (E_RNA) where: Base-Base interactions energy: -138.402 where: short stacking energy: -107.282 Base-Backbone interact. energy: -1.089 local terms energy: -178.062623 where: bonds (distance) C4'-P energy: -65.248 bonds (distance) P-C4' energy: -61.786 flat angles C4'-P-C4' energy: -51.646 flat angles P-C4'-P energy: -18.192 tors. eta vs tors. theta energy: 18.809 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: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1379.157192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.157192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.157192 (E_RNA) where: Base-Base interactions energy: -938.287 where: short stacking energy: -388.624 Base-Backbone interact. energy: -3.234 local terms energy: -437.636010 where: bonds (distance) C4'-P energy: -70.010 bonds (distance) P-C4' energy: -89.186 flat angles C4'-P-C4' energy: -92.796 flat angles P-C4'-P energy: -64.408 tors. eta vs tors. theta energy: -121.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1256.373800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.373800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.373800 (E_RNA) where: Base-Base interactions energy: -837.506 where: short stacking energy: -380.913 Base-Backbone interact. energy: 1.097 local terms energy: -419.965373 where: bonds (distance) C4'-P energy: -75.755 bonds (distance) P-C4' energy: -76.627 flat angles C4'-P-C4' energy: -89.958 flat angles P-C4'-P energy: -61.052 tors. eta vs tors. theta energy: -116.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1189.227697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.227697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.227697 (E_RNA) where: Base-Base interactions energy: -784.143 where: short stacking energy: -345.210 Base-Backbone interact. energy: -0.183 local terms energy: -404.901837 where: bonds (distance) C4'-P energy: -76.594 bonds (distance) P-C4' energy: -71.702 flat angles C4'-P-C4' energy: -88.873 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -101.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1134.499602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.499602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.499602 (E_RNA) where: Base-Base interactions energy: -753.384 where: short stacking energy: -336.687 Base-Backbone interact. energy: -1.654 local terms energy: -379.461107 where: bonds (distance) C4'-P energy: -73.702 bonds (distance) P-C4' energy: -61.943 flat angles C4'-P-C4' energy: -84.753 flat angles P-C4'-P energy: -62.696 tors. eta vs tors. theta energy: -96.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1041.854391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.854391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.854391 (E_RNA) where: Base-Base interactions energy: -670.579 where: short stacking energy: -309.447 Base-Backbone interact. energy: -0.663 local terms energy: -370.612205 where: bonds (distance) C4'-P energy: -66.516 bonds (distance) P-C4' energy: -86.933 flat angles C4'-P-C4' energy: -66.068 flat angles P-C4'-P energy: -53.431 tors. eta vs tors. theta energy: -97.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -838.875125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.875125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.875125 (E_RNA) where: Base-Base interactions energy: -530.175 where: short stacking energy: -253.980 Base-Backbone interact. energy: 1.662 local terms energy: -310.361646 where: bonds (distance) C4'-P energy: -61.381 bonds (distance) P-C4' energy: -63.731 flat angles C4'-P-C4' energy: -78.880 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -63.869 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: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -736.500215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.500215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.500215 (E_RNA) where: Base-Base interactions energy: -434.025 where: short stacking energy: -195.604 Base-Backbone interact. energy: -1.687 local terms energy: -300.788507 where: bonds (distance) C4'-P energy: -68.479 bonds (distance) P-C4' energy: -70.206 flat angles C4'-P-C4' energy: -74.281 flat angles P-C4'-P energy: -42.037 tors. eta vs tors. theta energy: -45.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -477.862876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.862876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.862876 (E_RNA) where: Base-Base interactions energy: -212.571 where: short stacking energy: -140.464 Base-Backbone interact. energy: 4.040 local terms energy: -269.330934 where: bonds (distance) C4'-P energy: -62.882 bonds (distance) P-C4' energy: -77.780 flat angles C4'-P-C4' energy: -70.113 flat angles P-C4'-P energy: -39.524 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -444.267253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.267253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.267253 (E_RNA) where: Base-Base interactions energy: -212.283 where: short stacking energy: -137.612 Base-Backbone interact. energy: -0.727 local terms energy: -231.257121 where: bonds (distance) C4'-P energy: -68.693 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -42.978 flat angles P-C4'-P energy: -44.264 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: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -340.643185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.643185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.643185 (E_RNA) where: Base-Base interactions energy: -116.803 where: short stacking energy: -92.542 Base-Backbone interact. energy: -0.588 local terms energy: -223.252310 where: bonds (distance) C4'-P energy: -63.561 bonds (distance) P-C4' energy: -65.399 flat angles C4'-P-C4' energy: -66.582 flat angles P-C4'-P energy: -20.174 tors. eta vs tors. theta energy: -7.536 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: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1383.660199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.660199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.660199 (E_RNA) where: Base-Base interactions energy: -959.180 where: short stacking energy: -405.523 Base-Backbone interact. energy: -4.240 local terms energy: -420.240026 where: bonds (distance) C4'-P energy: -83.778 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -83.283 flat angles P-C4'-P energy: -56.827 tors. eta vs tors. theta energy: -119.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1268.375510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.375510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.375510 (E_RNA) where: Base-Base interactions energy: -851.618 where: short stacking energy: -382.651 Base-Backbone interact. energy: -1.358 local terms energy: -415.398840 where: bonds (distance) C4'-P energy: -83.091 bonds (distance) P-C4' energy: -78.852 flat angles C4'-P-C4' energy: -78.937 flat angles P-C4'-P energy: -59.946 tors. eta vs tors. theta energy: -114.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1189.440053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.440053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.440053 (E_RNA) where: Base-Base interactions energy: -794.647 where: short stacking energy: -340.798 Base-Backbone interact. energy: -0.814 local terms energy: -393.979570 where: bonds (distance) C4'-P energy: -77.831 bonds (distance) P-C4' energy: -74.890 flat angles C4'-P-C4' energy: -83.884 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: -113.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1177.448922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.448922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.448922 (E_RNA) where: Base-Base interactions energy: -778.624 where: short stacking energy: -340.189 Base-Backbone interact. energy: -1.281 local terms energy: -397.543413 where: bonds (distance) C4'-P energy: -77.734 bonds (distance) P-C4' energy: -74.476 flat angles C4'-P-C4' energy: -75.732 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -110.286 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: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1010.917352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.917352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.917352 (E_RNA) where: Base-Base interactions energy: -653.909 where: short stacking energy: -300.504 Base-Backbone interact. energy: -1.575 local terms energy: -355.432837 where: bonds (distance) C4'-P energy: -71.841 bonds (distance) P-C4' energy: -58.272 flat angles C4'-P-C4' energy: -84.458 flat angles P-C4'-P energy: -51.228 tors. eta vs tors. theta energy: -89.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -818.628465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.628465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.628465 (E_RNA) where: Base-Base interactions energy: -479.906 where: short stacking energy: -230.859 Base-Backbone interact. energy: -1.194 local terms energy: -337.528266 where: bonds (distance) C4'-P energy: -73.136 bonds (distance) P-C4' energy: -81.585 flat angles C4'-P-C4' energy: -80.297 flat angles P-C4'-P energy: -41.197 tors. eta vs tors. theta energy: -61.313 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: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -797.819581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.819581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.819581 (E_RNA) where: Base-Base interactions energy: -480.026 where: short stacking energy: -218.778 Base-Backbone interact. energy: -1.710 local terms energy: -316.083320 where: bonds (distance) C4'-P energy: -64.448 bonds (distance) P-C4' energy: -72.483 flat angles C4'-P-C4' energy: -81.257 flat angles P-C4'-P energy: -47.781 tors. eta vs tors. theta energy: -50.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -478.448454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.448454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.448454 (E_RNA) where: Base-Base interactions energy: -247.663 where: short stacking energy: -144.032 Base-Backbone interact. energy: -2.748 local terms energy: -228.037594 where: bonds (distance) C4'-P energy: -66.585 bonds (distance) P-C4' energy: -69.317 flat angles C4'-P-C4' energy: -55.759 flat angles P-C4'-P energy: -28.246 tors. eta vs tors. theta energy: -8.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -431.507333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.507333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.507333 (E_RNA) where: Base-Base interactions energy: -187.285 where: short stacking energy: -103.290 Base-Backbone interact. energy: -0.994 local terms energy: -243.228717 where: bonds (distance) C4'-P energy: -69.088 bonds (distance) P-C4' energy: -68.782 flat angles C4'-P-C4' energy: -59.955 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: 6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -312.604585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.604585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.604585 (E_RNA) where: Base-Base interactions energy: -93.553 where: short stacking energy: -74.528 Base-Backbone interact. energy: 0.561 local terms energy: -219.611711 where: bonds (distance) C4'-P energy: -59.033 bonds (distance) P-C4' energy: -74.437 flat angles C4'-P-C4' energy: -43.412 flat angles P-C4'-P energy: -39.654 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1377.181918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.181918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.181918 (E_RNA) where: Base-Base interactions energy: -945.356 where: short stacking energy: -405.990 Base-Backbone interact. energy: -0.641 local terms energy: -431.185002 where: bonds (distance) C4'-P energy: -68.156 bonds (distance) P-C4' energy: -81.950 flat angles C4'-P-C4' energy: -96.310 flat angles P-C4'-P energy: -59.200 tors. eta vs tors. theta energy: -125.570 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: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1265.562697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.562697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.562697 (E_RNA) where: Base-Base interactions energy: -858.341 where: short stacking energy: -365.740 Base-Backbone interact. energy: -1.388 local terms energy: -405.834165 where: bonds (distance) C4'-P energy: -76.325 bonds (distance) P-C4' energy: -82.573 flat angles C4'-P-C4' energy: -84.384 flat angles P-C4'-P energy: -57.468 tors. eta vs tors. theta energy: -105.085 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: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1221.932663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.932663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.932663 (E_RNA) where: Base-Base interactions energy: -799.313 where: short stacking energy: -370.153 Base-Backbone interact. energy: -5.526 local terms energy: -417.094363 where: bonds (distance) C4'-P energy: -80.078 bonds (distance) P-C4' energy: -73.037 flat angles C4'-P-C4' energy: -91.087 flat angles P-C4'-P energy: -57.333 tors. eta vs tors. theta energy: -115.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1178.888797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.888797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.888797 (E_RNA) where: Base-Base interactions energy: -777.061 where: short stacking energy: -358.395 Base-Backbone interact. energy: 2.467 local terms energy: -404.294877 where: bonds (distance) C4'-P energy: -67.849 bonds (distance) P-C4' energy: -79.573 flat angles C4'-P-C4' energy: -89.967 flat angles P-C4'-P energy: -51.969 tors. eta vs tors. theta energy: -114.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -993.052555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.052555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.052555 (E_RNA) where: Base-Base interactions energy: -644.881 where: short stacking energy: -291.908 Base-Backbone interact. energy: -1.267 local terms energy: -346.904108 where: bonds (distance) C4'-P energy: -69.108 bonds (distance) P-C4' energy: -71.903 flat angles C4'-P-C4' energy: -75.300 flat angles P-C4'-P energy: -46.792 tors. eta vs tors. theta energy: -83.801 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: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -808.612648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.612648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.612648 (E_RNA) where: Base-Base interactions energy: -482.752 where: short stacking energy: -243.792 Base-Backbone interact. energy: -4.658 local terms energy: -321.202414 where: bonds (distance) C4'-P energy: -64.450 bonds (distance) P-C4' energy: -71.572 flat angles C4'-P-C4' energy: -70.006 flat angles P-C4'-P energy: -43.299 tors. eta vs tors. theta energy: -71.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -749.011037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.011037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.011037 (E_RNA) where: Base-Base interactions energy: -454.197 where: short stacking energy: -201.032 Base-Backbone interact. energy: -3.844 local terms energy: -290.970471 where: bonds (distance) C4'-P energy: -68.939 bonds (distance) P-C4' energy: -72.670 flat angles C4'-P-C4' energy: -71.065 flat angles P-C4'-P energy: -42.383 tors. eta vs tors. theta energy: -35.912 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: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -458.225852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.225852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.225852 (E_RNA) where: Base-Base interactions energy: -229.196 where: short stacking energy: -135.344 Base-Backbone interact. energy: -0.753 local terms energy: -228.276456 where: bonds (distance) C4'-P energy: -57.996 bonds (distance) P-C4' energy: -67.777 flat angles C4'-P-C4' energy: -53.851 flat angles P-C4'-P energy: -40.973 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -456.612209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.612209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.612209 (E_RNA) where: Base-Base interactions energy: -239.961 where: short stacking energy: -110.831 Base-Backbone interact. energy: 1.263 local terms energy: -217.913870 where: bonds (distance) C4'-P energy: -72.348 bonds (distance) P-C4' energy: -55.864 flat angles C4'-P-C4' energy: -49.484 flat angles P-C4'-P energy: -33.877 tors. eta vs tors. theta energy: -6.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -304.591188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.591188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.591188 (E_RNA) where: Base-Base interactions energy: -102.848 where: short stacking energy: -75.860 Base-Backbone interact. energy: -0.478 local terms energy: -201.265203 where: bonds (distance) C4'-P energy: -67.810 bonds (distance) P-C4' energy: -62.359 flat angles C4'-P-C4' energy: -60.002 flat angles P-C4'-P energy: -31.330 tors. eta vs tors. theta energy: 20.235 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: 1, replica: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1373.368447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.368447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.368447 (E_RNA) where: Base-Base interactions energy: -938.609 where: short stacking energy: -379.371 Base-Backbone interact. energy: -3.515 local terms energy: -431.244159 where: bonds (distance) C4'-P energy: -85.572 bonds (distance) P-C4' energy: -86.841 flat angles C4'-P-C4' energy: -84.046 flat angles P-C4'-P energy: -55.372 tors. eta vs tors. theta energy: -119.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1275.468322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.468322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.468322 (E_RNA) where: Base-Base interactions energy: -883.728 where: short stacking energy: -393.230 Base-Backbone interact. energy: -0.771 local terms energy: -390.968540 where: bonds (distance) C4'-P energy: -76.616 bonds (distance) P-C4' energy: -79.267 flat angles C4'-P-C4' energy: -76.143 flat angles P-C4'-P energy: -47.419 tors. eta vs tors. theta energy: -111.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1169.702357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.702357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.702357 (E_RNA) where: Base-Base interactions energy: -772.919 where: short stacking energy: -336.389 Base-Backbone interact. energy: -1.642 local terms energy: -395.141661 where: bonds (distance) C4'-P energy: -67.329 bonds (distance) P-C4' energy: -86.703 flat angles C4'-P-C4' energy: -79.859 flat angles P-C4'-P energy: -60.497 tors. eta vs tors. theta energy: -100.754 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: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1175.859124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.859124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.859124 (E_RNA) where: Base-Base interactions energy: -785.695 where: short stacking energy: -337.805 Base-Backbone interact. energy: -2.133 local terms energy: -388.030551 where: bonds (distance) C4'-P energy: -66.613 bonds (distance) P-C4' energy: -77.019 flat angles C4'-P-C4' energy: -75.628 flat angles P-C4'-P energy: -51.551 tors. eta vs tors. theta energy: -117.219 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: 429 Temperature: 1.100000 Total energy: -1054.608575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.608575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.608575 (E_RNA) where: Base-Base interactions energy: -672.492 where: short stacking energy: -317.421 Base-Backbone interact. energy: -0.033 local terms energy: -382.083579 where: bonds (distance) C4'-P energy: -73.627 bonds (distance) P-C4' energy: -84.764 flat angles C4'-P-C4' energy: -86.530 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: -94.489 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: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -823.981464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.981464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.981464 (E_RNA) where: Base-Base interactions energy: -504.284 where: short stacking energy: -233.641 Base-Backbone interact. energy: 0.250 local terms energy: -319.948008 where: bonds (distance) C4'-P energy: -67.110 bonds (distance) P-C4' energy: -73.604 flat angles C4'-P-C4' energy: -74.863 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -56.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -762.408594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.408594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.408594 (E_RNA) where: Base-Base interactions energy: -454.137 where: short stacking energy: -211.694 Base-Backbone interact. energy: -1.097 local terms energy: -307.174723 where: bonds (distance) C4'-P energy: -60.816 bonds (distance) P-C4' energy: -74.422 flat angles C4'-P-C4' energy: -72.750 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -47.354 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: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -500.211994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.211994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.211994 (E_RNA) where: Base-Base interactions energy: -266.026 where: short stacking energy: -148.078 Base-Backbone interact. energy: 0.358 local terms energy: -234.544099 where: bonds (distance) C4'-P energy: -52.235 bonds (distance) P-C4' energy: -65.243 flat angles C4'-P-C4' energy: -72.309 flat angles P-C4'-P energy: -42.396 tors. eta vs tors. theta energy: -2.363 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: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -415.153795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.153795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.153795 (E_RNA) where: Base-Base interactions energy: -177.288 where: short stacking energy: -106.582 Base-Backbone interact. energy: -2.308 local terms energy: -235.558396 where: bonds (distance) C4'-P energy: -64.182 bonds (distance) P-C4' energy: -74.811 flat angles C4'-P-C4' energy: -63.467 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: 2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -332.915599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.915599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.915599 (E_RNA) where: Base-Base interactions energy: -123.915 where: short stacking energy: -90.412 Base-Backbone interact. energy: 0.712 local terms energy: -209.712583 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -56.838 flat angles C4'-P-C4' energy: -64.572 flat angles P-C4'-P energy: -32.191 tors. eta vs tors. theta energy: 11.902 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: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1343.831261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.831261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.831261 (E_RNA) where: Base-Base interactions energy: -915.123 where: short stacking energy: -392.237 Base-Backbone interact. energy: -2.102 local terms energy: -426.605368 where: bonds (distance) C4'-P energy: -79.536 bonds (distance) P-C4' energy: -84.728 flat angles C4'-P-C4' energy: -97.139 flat angles P-C4'-P energy: -53.566 tors. eta vs tors. theta energy: -111.636 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: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1286.382325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.382325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.382325 (E_RNA) where: Base-Base interactions energy: -883.707 where: short stacking energy: -388.395 Base-Backbone interact. energy: -1.569 local terms energy: -401.106631 where: bonds (distance) C4'-P energy: -69.428 bonds (distance) P-C4' energy: -84.074 flat angles C4'-P-C4' energy: -81.330 flat angles P-C4'-P energy: -51.754 tors. eta vs tors. theta energy: -114.520 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: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1211.279451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.279451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.279451 (E_RNA) where: Base-Base interactions energy: -788.888 where: short stacking energy: -366.179 Base-Backbone interact. energy: 0.038 local terms energy: -422.429925 where: bonds (distance) C4'-P energy: -61.903 bonds (distance) P-C4' energy: -80.992 flat angles C4'-P-C4' energy: -86.905 flat angles P-C4'-P energy: -64.773 tors. eta vs tors. theta energy: -127.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1165.477313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.477313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.477313 (E_RNA) where: Base-Base interactions energy: -765.457 where: short stacking energy: -345.456 Base-Backbone interact. energy: -1.153 local terms energy: -398.866835 where: bonds (distance) C4'-P energy: -73.205 bonds (distance) P-C4' energy: -74.877 flat angles C4'-P-C4' energy: -89.997 flat angles P-C4'-P energy: -55.802 tors. eta vs tors. theta energy: -104.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1009.510601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.510601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.510601 (E_RNA) where: Base-Base interactions energy: -660.277 where: short stacking energy: -299.238 Base-Backbone interact. energy: -2.875 local terms energy: -346.358383 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -67.607 flat angles C4'-P-C4' energy: -77.805 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -76.334 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: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -812.358742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.358742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.358742 (E_RNA) where: Base-Base interactions energy: -518.594 where: short stacking energy: -231.168 Base-Backbone interact. energy: -0.430 local terms energy: -293.335006 where: bonds (distance) C4'-P energy: -60.338 bonds (distance) P-C4' energy: -63.609 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -42.491 tors. eta vs tors. theta energy: -61.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -768.405673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.405673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.405673 (E_RNA) where: Base-Base interactions energy: -468.713 where: short stacking energy: -223.841 Base-Backbone interact. energy: -0.617 local terms energy: -299.075607 where: bonds (distance) C4'-P energy: -74.933 bonds (distance) P-C4' energy: -71.693 flat angles C4'-P-C4' energy: -63.279 flat angles P-C4'-P energy: -27.285 tors. eta vs tors. theta energy: -61.886 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: 430 Temperature: 1.250000 Total energy: -488.923022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.923022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.923022 (E_RNA) where: Base-Base interactions energy: -269.834 where: short stacking energy: -158.357 Base-Backbone interact. energy: -0.940 local terms energy: -218.148691 where: bonds (distance) C4'-P energy: -55.625 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -57.849 flat angles P-C4'-P energy: -22.764 tors. eta vs tors. theta energy: -20.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -405.860848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.860848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.860848 (E_RNA) where: Base-Base interactions energy: -184.100 where: short stacking energy: -120.564 Base-Backbone interact. energy: -2.106 local terms energy: -219.655262 where: bonds (distance) C4'-P energy: -62.082 bonds (distance) P-C4' energy: -64.687 flat angles C4'-P-C4' energy: -61.963 flat angles P-C4'-P energy: -26.685 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -309.177300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.177300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.177300 (E_RNA) where: Base-Base interactions energy: -106.936 where: short stacking energy: -85.594 Base-Backbone interact. energy: 0.274 local terms energy: -202.515872 where: bonds (distance) C4'-P energy: -53.476 bonds (distance) P-C4' energy: -62.034 flat angles C4'-P-C4' energy: -49.671 flat angles P-C4'-P energy: -44.132 tors. eta vs tors. theta energy: 6.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1382.976108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.976108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.976108 (E_RNA) where: Base-Base interactions energy: -946.254 where: short stacking energy: -385.655 Base-Backbone interact. energy: -1.119 local terms energy: -435.603093 where: bonds (distance) C4'-P energy: -80.213 bonds (distance) P-C4' energy: -75.872 flat angles C4'-P-C4' energy: -94.075 flat angles P-C4'-P energy: -62.464 tors. eta vs tors. theta energy: -122.979 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: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1310.259775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.259775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.259775 (E_RNA) where: Base-Base interactions energy: -859.431 where: short stacking energy: -392.638 Base-Backbone interact. energy: -2.524 local terms energy: -448.304882 where: bonds (distance) C4'-P energy: -85.299 bonds (distance) P-C4' energy: -77.617 flat angles C4'-P-C4' energy: -101.020 flat angles P-C4'-P energy: -65.718 tors. eta vs tors. theta energy: -118.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1193.171459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.171459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.171459 (E_RNA) where: Base-Base interactions energy: -786.022 where: short stacking energy: -351.309 Base-Backbone interact. energy: -1.895 local terms energy: -405.254138 where: bonds (distance) C4'-P energy: -70.773 bonds (distance) P-C4' energy: -76.986 flat angles C4'-P-C4' energy: -86.965 flat angles P-C4'-P energy: -51.083 tors. eta vs tors. theta energy: -119.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1174.211466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.211466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.211466 (E_RNA) where: Base-Base interactions energy: -769.009 where: short stacking energy: -341.759 Base-Backbone interact. energy: -1.080 local terms energy: -404.122110 where: bonds (distance) C4'-P energy: -79.739 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -84.058 flat angles P-C4'-P energy: -57.617 tors. eta vs tors. theta energy: -106.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -994.257944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.257944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.257944 (E_RNA) where: Base-Base interactions energy: -642.237 where: short stacking energy: -266.071 Base-Backbone interact. energy: -2.210 local terms energy: -349.810842 where: bonds (distance) C4'-P energy: -68.794 bonds (distance) P-C4' energy: -80.766 flat angles C4'-P-C4' energy: -77.759 flat angles P-C4'-P energy: -52.204 tors. eta vs tors. theta energy: -70.288 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: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -819.298549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.298549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.298549 (E_RNA) where: Base-Base interactions energy: -513.514 where: short stacking energy: -264.321 Base-Backbone interact. energy: -1.041 local terms energy: -304.742788 where: bonds (distance) C4'-P energy: -61.998 bonds (distance) P-C4' energy: -76.178 flat angles C4'-P-C4' energy: -64.666 flat angles P-C4'-P energy: -41.133 tors. eta vs tors. theta energy: -60.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -757.896957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.896957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.896957 (E_RNA) where: Base-Base interactions energy: -441.649 where: short stacking energy: -205.801 Base-Backbone interact. energy: -2.669 local terms energy: -313.579434 where: bonds (distance) C4'-P energy: -72.971 bonds (distance) P-C4' energy: -75.095 flat angles C4'-P-C4' energy: -68.902 flat angles P-C4'-P energy: -39.665 tors. eta vs tors. theta energy: -56.946 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: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -449.339189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.339189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.339189 (E_RNA) where: Base-Base interactions energy: -197.393 where: short stacking energy: -128.104 Base-Backbone interact. energy: -2.001 local terms energy: -249.945400 where: bonds (distance) C4'-P energy: -61.106 bonds (distance) P-C4' energy: -76.460 flat angles C4'-P-C4' energy: -59.839 flat angles P-C4'-P energy: -50.458 tors. eta vs tors. theta energy: -2.083 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: 1 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -450.124110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.124110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.124110 (E_RNA) where: Base-Base interactions energy: -195.909 where: short stacking energy: -116.064 Base-Backbone interact. energy: -1.778 local terms energy: -252.436738 where: bonds (distance) C4'-P energy: -74.957 bonds (distance) P-C4' energy: -73.149 flat angles C4'-P-C4' energy: -57.715 flat angles P-C4'-P energy: -35.821 tors. eta vs tors. theta energy: -10.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -304.565266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.565266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.565266 (E_RNA) where: Base-Base interactions energy: -96.159 where: short stacking energy: -93.479 Base-Backbone interact. energy: -0.253 local terms energy: -208.153179 where: bonds (distance) C4'-P energy: -62.721 bonds (distance) P-C4' energy: -60.094 flat angles C4'-P-C4' energy: -50.311 flat angles P-C4'-P energy: -36.751 tors. eta vs tors. theta energy: 1.723 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: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1368.544506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.544506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.544506 (E_RNA) where: Base-Base interactions energy: -957.114 where: short stacking energy: -389.617 Base-Backbone interact. energy: -1.515 local terms energy: -409.915843 where: bonds (distance) C4'-P energy: -68.312 bonds (distance) P-C4' energy: -79.307 flat angles C4'-P-C4' energy: -78.279 flat angles P-C4'-P energy: -62.203 tors. eta vs tors. theta energy: -121.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1298.984443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.984443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.984443 (E_RNA) where: Base-Base interactions energy: -893.494 where: short stacking energy: -391.830 Base-Backbone interact. energy: 1.128 local terms energy: -406.618824 where: bonds (distance) C4'-P energy: -73.500 bonds (distance) P-C4' energy: -70.697 flat angles C4'-P-C4' energy: -90.172 flat angles P-C4'-P energy: -60.579 tors. eta vs tors. theta energy: -111.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1227.975894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.975894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.975894 (E_RNA) where: Base-Base interactions energy: -806.389 where: short stacking energy: -371.612 Base-Backbone interact. energy: -2.869 local terms energy: -418.717789 where: bonds (distance) C4'-P energy: -72.121 bonds (distance) P-C4' energy: -75.432 flat angles C4'-P-C4' energy: -92.962 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -118.623 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: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1136.870286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.870286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.870286 (E_RNA) where: Base-Base interactions energy: -758.975 where: short stacking energy: -314.037 Base-Backbone interact. energy: -0.388 local terms energy: -377.507666 where: bonds (distance) C4'-P energy: -71.267 bonds (distance) P-C4' energy: -73.396 flat angles C4'-P-C4' energy: -82.257 flat angles P-C4'-P energy: -57.205 tors. eta vs tors. theta energy: -93.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -993.588089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.588089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.588089 (E_RNA) where: Base-Base interactions energy: -645.733 where: short stacking energy: -310.404 Base-Backbone interact. energy: -0.998 local terms energy: -346.856875 where: bonds (distance) C4'-P energy: -64.307 bonds (distance) P-C4' energy: -59.258 flat angles C4'-P-C4' energy: -74.356 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -91.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -793.096452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.096452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.096452 (E_RNA) where: Base-Base interactions energy: -466.054 where: short stacking energy: -218.505 Base-Backbone interact. energy: 4.010 local terms energy: -331.052833 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -77.923 flat angles P-C4'-P energy: -45.763 tors. eta vs tors. theta energy: -49.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -744.737774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.737774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.737774 (E_RNA) where: Base-Base interactions energy: -465.535 where: short stacking energy: -234.691 Base-Backbone interact. energy: -0.157 local terms energy: -279.046078 where: bonds (distance) C4'-P energy: -70.254 bonds (distance) P-C4' energy: -69.563 flat angles C4'-P-C4' energy: -55.624 flat angles P-C4'-P energy: -35.466 tors. eta vs tors. theta energy: -48.138 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: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -461.670910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.670910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.670910 (E_RNA) where: Base-Base interactions energy: -219.711 where: short stacking energy: -119.048 Base-Backbone interact. energy: -1.316 local terms energy: -240.643149 where: bonds (distance) C4'-P energy: -73.719 bonds (distance) P-C4' energy: -66.012 flat angles C4'-P-C4' energy: -69.663 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: 17.444 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: 4 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -334.834941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.834941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.834941 (E_RNA) where: Base-Base interactions energy: -131.901 where: short stacking energy: -98.127 Base-Backbone interact. energy: 3.383 local terms energy: -206.316526 where: bonds (distance) C4'-P energy: -73.701 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -48.372 flat angles P-C4'-P energy: -20.942 tors. eta vs tors. theta energy: 6.658 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: 10, replica: 1 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -376.748482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.748482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.748482 (E_RNA) where: Base-Base interactions energy: -172.147 where: short stacking energy: -124.295 Base-Backbone interact. energy: -2.267 local terms energy: -202.335100 where: bonds (distance) C4'-P energy: -43.275 bonds (distance) P-C4' energy: -60.370 flat angles C4'-P-C4' energy: -61.285 flat angles P-C4'-P energy: -30.034 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1383.270253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.270253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.270253 (E_RNA) where: Base-Base interactions energy: -946.220 where: short stacking energy: -383.795 Base-Backbone interact. energy: -3.568 local terms energy: -433.482307 where: bonds (distance) C4'-P energy: -84.669 bonds (distance) P-C4' energy: -79.146 flat angles C4'-P-C4' energy: -100.595 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: -119.582 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: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1288.690036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.690036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.690036 (E_RNA) where: Base-Base interactions energy: -877.354 where: short stacking energy: -388.475 Base-Backbone interact. energy: -1.592 local terms energy: -409.743936 where: bonds (distance) C4'-P energy: -75.813 bonds (distance) P-C4' energy: -78.928 flat angles C4'-P-C4' energy: -86.390 flat angles P-C4'-P energy: -49.750 tors. eta vs tors. theta energy: -118.863 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: 10 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1200.488359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.488359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.488359 (E_RNA) where: Base-Base interactions energy: -806.002 where: short stacking energy: -352.873 Base-Backbone interact. energy: -2.074 local terms energy: -392.412273 where: bonds (distance) C4'-P energy: -71.120 bonds (distance) P-C4' energy: -77.394 flat angles C4'-P-C4' energy: -84.760 flat angles P-C4'-P energy: -48.567 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: 4, replica: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1113.549070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.549070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.549070 (E_RNA) where: Base-Base interactions energy: -728.882 where: short stacking energy: -307.718 Base-Backbone interact. energy: -1.989 local terms energy: -382.677847 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -74.378 flat angles C4'-P-C4' energy: -76.680 flat angles P-C4'-P energy: -58.508 tors. eta vs tors. theta energy: -92.573 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: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1004.355979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.355979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.355979 (E_RNA) where: Base-Base interactions energy: -629.312 where: short stacking energy: -286.213 Base-Backbone interact. energy: -0.037 local terms energy: -375.007206 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -85.807 flat angles C4'-P-C4' energy: -83.070 flat angles P-C4'-P energy: -57.083 tors. eta vs tors. theta energy: -76.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -815.547699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.547699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.547699 (E_RNA) where: Base-Base interactions energy: -488.155 where: short stacking energy: -219.122 Base-Backbone interact. energy: -4.401 local terms energy: -322.991890 where: bonds (distance) C4'-P energy: -75.711 bonds (distance) P-C4' energy: -74.245 flat angles C4'-P-C4' energy: -85.412 flat angles P-C4'-P energy: -43.776 tors. eta vs tors. theta energy: -43.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -732.197056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.197056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.197056 (E_RNA) where: Base-Base interactions energy: -440.837 where: short stacking energy: -197.587 Base-Backbone interact. energy: -2.264 local terms energy: -289.095835 where: bonds (distance) C4'-P energy: -80.997 bonds (distance) P-C4' energy: -52.052 flat angles C4'-P-C4' energy: -75.320 flat angles P-C4'-P energy: -42.618 tors. eta vs tors. theta energy: -38.109 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: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -491.245595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.245595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.245595 (E_RNA) where: Base-Base interactions energy: -242.436 where: short stacking energy: -127.337 Base-Backbone interact. energy: 1.379 local terms energy: -250.188322 where: bonds (distance) C4'-P energy: -62.561 bonds (distance) P-C4' energy: -85.515 flat angles C4'-P-C4' energy: -60.344 flat angles P-C4'-P energy: -37.158 tors. eta vs tors. theta energy: -4.610 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: 4 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -351.519872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.519872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.519872 (E_RNA) where: Base-Base interactions energy: -127.147 where: short stacking energy: -82.333 Base-Backbone interact. energy: 1.797 local terms energy: -226.170355 where: bonds (distance) C4'-P energy: -66.402 bonds (distance) P-C4' energy: -69.605 flat angles C4'-P-C4' energy: -61.884 flat angles P-C4'-P energy: -22.707 tors. eta vs tors. theta energy: -5.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -347.326615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.326615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.326615 (E_RNA) where: Base-Base interactions energy: -148.768 where: short stacking energy: -104.968 Base-Backbone interact. energy: -1.158 local terms energy: -197.400143 where: bonds (distance) C4'-P energy: -60.147 bonds (distance) P-C4' energy: -59.687 flat angles C4'-P-C4' energy: -54.614 flat angles P-C4'-P energy: -29.797 tors. eta vs tors. theta energy: 6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1364.648780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.648780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.648780 (E_RNA) where: Base-Base interactions energy: -931.447 where: short stacking energy: -405.510 Base-Backbone interact. energy: -2.023 local terms energy: -431.179450 where: bonds (distance) C4'-P energy: -83.108 bonds (distance) P-C4' energy: -77.844 flat angles C4'-P-C4' energy: -91.256 flat angles P-C4'-P energy: -58.992 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: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1279.316078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.316078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.316078 (E_RNA) where: Base-Base interactions energy: -859.940 where: short stacking energy: -382.301 Base-Backbone interact. energy: -0.704 local terms energy: -418.672196 where: bonds (distance) C4'-P energy: -79.609 bonds (distance) P-C4' energy: -75.723 flat angles C4'-P-C4' energy: -87.643 flat angles P-C4'-P energy: -65.599 tors. eta vs tors. theta energy: -110.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1134.217834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.217834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.217834 (E_RNA) where: Base-Base interactions energy: -751.992 where: short stacking energy: -354.896 Base-Backbone interact. energy: -0.202 local terms energy: -382.024184 where: bonds (distance) C4'-P energy: -68.968 bonds (distance) P-C4' energy: -70.969 flat angles C4'-P-C4' energy: -91.439 flat angles P-C4'-P energy: -53.408 tors. eta vs tors. theta energy: -97.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1144.233179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.233179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.233179 (E_RNA) where: Base-Base interactions energy: -748.234 where: short stacking energy: -338.218 Base-Backbone interact. energy: -1.121 local terms energy: -394.877467 where: bonds (distance) C4'-P energy: -73.092 bonds (distance) P-C4' energy: -73.314 flat angles C4'-P-C4' energy: -85.095 flat angles P-C4'-P energy: -60.393 tors. eta vs tors. theta energy: -102.983 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: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1008.604299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.604299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.604299 (E_RNA) where: Base-Base interactions energy: -657.245 where: short stacking energy: -306.888 Base-Backbone interact. energy: 0.299 local terms energy: -351.658823 where: bonds (distance) C4'-P energy: -75.077 bonds (distance) P-C4' energy: -81.311 flat angles C4'-P-C4' energy: -73.522 flat angles P-C4'-P energy: -38.530 tors. eta vs tors. theta energy: -83.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -790.475338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.475338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.475338 (E_RNA) where: Base-Base interactions energy: -496.278 where: short stacking energy: -197.057 Base-Backbone interact. energy: -1.588 local terms energy: -292.609328 where: bonds (distance) C4'-P energy: -66.630 bonds (distance) P-C4' energy: -71.895 flat angles C4'-P-C4' energy: -62.307 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -42.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -745.721316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.721316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.721316 (E_RNA) where: Base-Base interactions energy: -443.154 where: short stacking energy: -194.743 Base-Backbone interact. energy: -1.145 local terms energy: -301.422115 where: bonds (distance) C4'-P energy: -72.352 bonds (distance) P-C4' energy: -76.679 flat angles C4'-P-C4' energy: -72.894 flat angles P-C4'-P energy: -37.834 tors. eta vs tors. theta energy: -41.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -561.648685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.648685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.648685 (E_RNA) where: Base-Base interactions energy: -315.126 where: short stacking energy: -164.263 Base-Backbone interact. energy: 1.327 local terms energy: -247.849686 where: bonds (distance) C4'-P energy: -65.561 bonds (distance) P-C4' energy: -64.571 flat angles C4'-P-C4' energy: -61.373 flat angles P-C4'-P energy: -32.757 tors. eta vs tors. theta energy: -23.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -335.393698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.393698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.393698 (E_RNA) where: Base-Base interactions energy: -121.086 where: short stacking energy: -105.620 Base-Backbone interact. energy: 1.151 local terms energy: -215.458982 where: bonds (distance) C4'-P energy: -49.416 bonds (distance) P-C4' energy: -73.710 flat angles C4'-P-C4' energy: -50.994 flat angles P-C4'-P energy: -36.546 tors. eta vs tors. theta energy: -4.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -304.904607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.904607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.904607 (E_RNA) where: Base-Base interactions energy: -119.267 where: short stacking energy: -109.197 Base-Backbone interact. energy: 0.013 local terms energy: -185.650455 where: bonds (distance) C4'-P energy: -67.447 bonds (distance) P-C4' energy: -48.912 flat angles C4'-P-C4' energy: -63.202 flat angles P-C4'-P energy: -19.049 tors. eta vs tors. theta energy: 12.959 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: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1360.129030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.129030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.129030 (E_RNA) where: Base-Base interactions energy: -948.442 where: short stacking energy: -399.469 Base-Backbone interact. energy: -3.748 local terms energy: -407.938563 where: bonds (distance) C4'-P energy: -71.589 bonds (distance) P-C4' energy: -64.924 flat angles C4'-P-C4' energy: -85.943 flat angles P-C4'-P energy: -65.498 tors. eta vs tors. theta energy: -119.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1290.251645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.251645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.251645 (E_RNA) where: Base-Base interactions energy: -885.536 where: short stacking energy: -387.669 Base-Backbone interact. energy: -1.365 local terms energy: -403.350696 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -80.659 flat angles C4'-P-C4' energy: -96.715 flat angles P-C4'-P energy: -46.990 tors. eta vs tors. theta energy: -115.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1184.670656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.670656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.670656 (E_RNA) where: Base-Base interactions energy: -785.899 where: short stacking energy: -356.694 Base-Backbone interact. energy: -0.985 local terms energy: -397.786526 where: bonds (distance) C4'-P energy: -77.081 bonds (distance) P-C4' energy: -77.057 flat angles C4'-P-C4' energy: -76.328 flat angles P-C4'-P energy: -56.161 tors. eta vs tors. theta energy: -111.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1168.845586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.845586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.845586 (E_RNA) where: Base-Base interactions energy: -767.565 where: short stacking energy: -333.618 Base-Backbone interact. energy: -0.933 local terms energy: -400.347135 where: bonds (distance) C4'-P energy: -69.405 bonds (distance) P-C4' energy: -88.201 flat angles C4'-P-C4' energy: -85.719 flat angles P-C4'-P energy: -55.993 tors. eta vs tors. theta energy: -101.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1014.493199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.493199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.493199 (E_RNA) where: Base-Base interactions energy: -664.649 where: short stacking energy: -298.937 Base-Backbone interact. energy: 1.553 local terms energy: -351.396858 where: bonds (distance) C4'-P energy: -80.998 bonds (distance) P-C4' energy: -59.184 flat angles C4'-P-C4' energy: -76.769 flat angles P-C4'-P energy: -45.127 tors. eta vs tors. theta energy: -89.318 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: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -826.316354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.316354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.316354 (E_RNA) where: Base-Base interactions energy: -522.388 where: short stacking energy: -222.255 Base-Backbone interact. energy: -1.496 local terms energy: -302.432656 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -73.658 flat angles C4'-P-C4' energy: -80.989 flat angles P-C4'-P energy: -48.160 tors. eta vs tors. theta energy: -43.405 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: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -734.073066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.073066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.073066 (E_RNA) where: Base-Base interactions energy: -449.079 where: short stacking energy: -226.121 Base-Backbone interact. energy: -0.633 local terms energy: -284.361156 where: bonds (distance) C4'-P energy: -70.007 bonds (distance) P-C4' energy: -61.703 flat angles C4'-P-C4' energy: -72.670 flat angles P-C4'-P energy: -32.555 tors. eta vs tors. theta energy: -47.426 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: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -567.266924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.266924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.266924 (E_RNA) where: Base-Base interactions energy: -324.768 where: short stacking energy: -142.838 Base-Backbone interact. energy: -0.580 local terms energy: -241.919328 where: bonds (distance) C4'-P energy: -61.394 bonds (distance) P-C4' energy: -74.162 flat angles C4'-P-C4' energy: -55.720 flat angles P-C4'-P energy: -37.084 tors. eta vs tors. theta energy: -13.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -327.410696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.410696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.410696 (E_RNA) where: Base-Base interactions energy: -113.333 where: short stacking energy: -93.387 Base-Backbone interact. energy: 4.078 local terms energy: -218.155990 where: bonds (distance) C4'-P energy: -51.489 bonds (distance) P-C4' energy: -75.984 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -38.348 tors. eta vs tors. theta energy: 20.078 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: 435 Temperature: 1.350000 Total energy: -313.705230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.705230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.705230 (E_RNA) where: Base-Base interactions energy: -111.363 where: short stacking energy: -87.346 Base-Backbone interact. energy: 1.722 local terms energy: -204.064082 where: bonds (distance) C4'-P energy: -55.156 bonds (distance) P-C4' energy: -78.927 flat angles C4'-P-C4' energy: -53.752 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: 27.778 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: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1376.551915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.551915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.551915 (E_RNA) where: Base-Base interactions energy: -942.310 where: short stacking energy: -392.711 Base-Backbone interact. energy: -1.788 local terms energy: -432.454106 where: bonds (distance) C4'-P energy: -79.902 bonds (distance) P-C4' energy: -80.540 flat angles C4'-P-C4' energy: -87.566 flat angles P-C4'-P energy: -60.993 tors. eta vs tors. theta energy: -123.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1283.045689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.045689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.045689 (E_RNA) where: Base-Base interactions energy: -874.768 where: short stacking energy: -378.338 Base-Backbone interact. energy: -2.079 local terms energy: -406.198689 where: bonds (distance) C4'-P energy: -73.430 bonds (distance) P-C4' energy: -77.407 flat angles C4'-P-C4' energy: -84.159 flat angles P-C4'-P energy: -54.900 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: 3, replica: 10 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1197.535231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.535231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.535231 (E_RNA) where: Base-Base interactions energy: -791.067 where: short stacking energy: -343.708 Base-Backbone interact. energy: 1.826 local terms energy: -408.293579 where: bonds (distance) C4'-P energy: -73.302 bonds (distance) P-C4' energy: -74.400 flat angles C4'-P-C4' energy: -83.826 flat angles P-C4'-P energy: -62.652 tors. eta vs tors. theta energy: -114.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1158.824527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.824527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.824527 (E_RNA) where: Base-Base interactions energy: -760.126 where: short stacking energy: -335.957 Base-Backbone interact. energy: -0.739 local terms energy: -397.959081 where: bonds (distance) C4'-P energy: -68.217 bonds (distance) P-C4' energy: -74.487 flat angles C4'-P-C4' energy: -89.516 flat angles P-C4'-P energy: -64.462 tors. eta vs tors. theta energy: -101.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1001.962345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.962345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.962345 (E_RNA) where: Base-Base interactions energy: -655.410 where: short stacking energy: -306.346 Base-Backbone interact. energy: 0.632 local terms energy: -347.183952 where: bonds (distance) C4'-P energy: -71.682 bonds (distance) P-C4' energy: -75.048 flat angles C4'-P-C4' energy: -70.935 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -79.791 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: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -855.643452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.643452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.643452 (E_RNA) where: Base-Base interactions energy: -561.437 where: short stacking energy: -240.064 Base-Backbone interact. energy: -1.169 local terms energy: -293.038098 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -74.435 flat angles C4'-P-C4' energy: -72.527 flat angles P-C4'-P energy: -43.109 tors. eta vs tors. theta energy: -51.241 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: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -744.456793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.456793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.456793 (E_RNA) where: Base-Base interactions energy: -437.412 where: short stacking energy: -207.559 Base-Backbone interact. energy: -0.932 local terms energy: -306.112922 where: bonds (distance) C4'-P energy: -72.077 bonds (distance) P-C4' energy: -82.502 flat angles C4'-P-C4' energy: -88.390 flat angles P-C4'-P energy: -33.617 tors. eta vs tors. theta energy: -29.526 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: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -492.944562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.944562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.944562 (E_RNA) where: Base-Base interactions energy: -233.691 where: short stacking energy: -124.841 Base-Backbone interact. energy: -1.613 local terms energy: -257.640258 where: bonds (distance) C4'-P energy: -71.969 bonds (distance) P-C4' energy: -67.545 flat angles C4'-P-C4' energy: -66.323 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -8.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -333.900051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.900051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.900051 (E_RNA) where: Base-Base interactions energy: -130.288 where: short stacking energy: -94.952 Base-Backbone interact. energy: 0.533 local terms energy: -204.144279 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -67.516 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -32.250 tors. eta vs tors. theta energy: 18.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -306.141397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.141397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.141397 (E_RNA) where: Base-Base interactions energy: -104.700 where: short stacking energy: -84.273 Base-Backbone interact. energy: -0.220 local terms energy: -201.221432 where: bonds (distance) C4'-P energy: -56.580 bonds (distance) P-C4' energy: -65.352 flat angles C4'-P-C4' energy: -61.161 flat angles P-C4'-P energy: -32.560 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: 437 Temperature: 0.900000 Total energy: -1367.447138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.447138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.447138 (E_RNA) where: Base-Base interactions energy: -938.120 where: short stacking energy: -397.117 Base-Backbone interact. energy: -3.293 local terms energy: -426.034004 where: bonds (distance) C4'-P energy: -70.342 bonds (distance) P-C4' energy: -77.411 flat angles C4'-P-C4' energy: -84.397 flat angles P-C4'-P energy: -70.243 tors. eta vs tors. theta energy: -123.641 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: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1286.967908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.967908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.967908 (E_RNA) where: Base-Base interactions energy: -870.833 where: short stacking energy: -382.222 Base-Backbone interact. energy: 1.146 local terms energy: -417.281395 where: bonds (distance) C4'-P energy: -71.421 bonds (distance) P-C4' energy: -73.538 flat angles C4'-P-C4' energy: -88.567 flat angles P-C4'-P energy: -62.992 tors. eta vs tors. theta energy: -120.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1196.867033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.867033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.867033 (E_RNA) where: Base-Base interactions energy: -811.722 where: short stacking energy: -355.010 Base-Backbone interact. energy: -1.408 local terms energy: -383.736468 where: bonds (distance) C4'-P energy: -58.048 bonds (distance) P-C4' energy: -74.030 flat angles C4'-P-C4' energy: -89.683 flat angles P-C4'-P energy: -53.769 tors. eta vs tors. theta energy: -108.206 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: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1137.442264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.442264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.442264 (E_RNA) where: Base-Base interactions energy: -750.495 where: short stacking energy: -331.660 Base-Backbone interact. energy: 1.254 local terms energy: -388.201850 where: bonds (distance) C4'-P energy: -62.832 bonds (distance) P-C4' energy: -86.120 flat angles C4'-P-C4' energy: -84.946 flat angles P-C4'-P energy: -53.582 tors. eta vs tors. theta energy: -100.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1034.929883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.929883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.929883 (E_RNA) where: Base-Base interactions energy: -689.998 where: short stacking energy: -303.133 Base-Backbone interact. energy: -2.666 local terms energy: -342.265669 where: bonds (distance) C4'-P energy: -64.365 bonds (distance) P-C4' energy: -72.181 flat angles C4'-P-C4' energy: -67.551 flat angles P-C4'-P energy: -59.063 tors. eta vs tors. theta energy: -79.105 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: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -831.883303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.883303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.883303 (E_RNA) where: Base-Base interactions energy: -525.991 where: short stacking energy: -232.823 Base-Backbone interact. energy: -1.161 local terms energy: -304.731088 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -83.168 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -40.002 tors. eta vs tors. theta energy: -55.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -715.967500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.967500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.967500 (E_RNA) where: Base-Base interactions energy: -403.747 where: short stacking energy: -198.449 Base-Backbone interact. energy: 3.253 local terms energy: -315.473062 where: bonds (distance) C4'-P energy: -74.816 bonds (distance) P-C4' energy: -77.628 flat angles C4'-P-C4' energy: -61.345 flat angles P-C4'-P energy: -45.798 tors. eta vs tors. theta energy: -55.887 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: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -459.959413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.959413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.959413 (E_RNA) where: Base-Base interactions energy: -212.273 where: short stacking energy: -113.725 Base-Backbone interact. energy: 0.022 local terms energy: -247.708809 where: bonds (distance) C4'-P energy: -68.815 bonds (distance) P-C4' energy: -72.793 flat angles C4'-P-C4' energy: -63.068 flat angles P-C4'-P energy: -40.843 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -330.456311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.456311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.456311 (E_RNA) where: Base-Base interactions energy: -134.935 where: short stacking energy: -93.396 Base-Backbone interact. energy: -0.648 local terms energy: -194.872702 where: bonds (distance) C4'-P energy: -54.141 bonds (distance) P-C4' energy: -72.213 flat angles C4'-P-C4' energy: -53.243 flat angles P-C4'-P energy: -34.961 tors. eta vs tors. theta energy: 19.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -311.146927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.146927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.146927 (E_RNA) where: Base-Base interactions energy: -115.999 where: short stacking energy: -98.717 Base-Backbone interact. energy: 1.135 local terms energy: -196.283055 where: bonds (distance) C4'-P energy: -50.934 bonds (distance) P-C4' energy: -68.088 flat angles C4'-P-C4' energy: -48.993 flat angles P-C4'-P energy: -33.327 tors. eta vs tors. theta energy: 5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1370.065354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.065354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.065354 (E_RNA) where: Base-Base interactions energy: -936.707 where: short stacking energy: -382.499 Base-Backbone interact. energy: -3.092 local terms energy: -430.266192 where: bonds (distance) C4'-P energy: -77.994 bonds (distance) P-C4' energy: -73.450 flat angles C4'-P-C4' energy: -97.457 flat angles P-C4'-P energy: -62.691 tors. eta vs tors. theta energy: -118.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1261.920243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.920243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.920243 (E_RNA) where: Base-Base interactions energy: -864.247 where: short stacking energy: -370.196 Base-Backbone interact. energy: 0.529 local terms energy: -398.202521 where: bonds (distance) C4'-P energy: -75.865 bonds (distance) P-C4' energy: -73.578 flat angles C4'-P-C4' energy: -83.076 flat angles P-C4'-P energy: -53.168 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: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1192.033098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.033098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.033098 (E_RNA) where: Base-Base interactions energy: -792.935 where: short stacking energy: -349.489 Base-Backbone interact. energy: -1.735 local terms energy: -397.363267 where: bonds (distance) C4'-P energy: -68.141 bonds (distance) P-C4' energy: -78.546 flat angles C4'-P-C4' energy: -86.022 flat angles P-C4'-P energy: -53.519 tors. eta vs tors. theta energy: -111.136 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: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1128.034321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.034321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.034321 (E_RNA) where: Base-Base interactions energy: -763.511 where: short stacking energy: -345.942 Base-Backbone interact. energy: -0.159 local terms energy: -364.364124 where: bonds (distance) C4'-P energy: -73.914 bonds (distance) P-C4' energy: -62.683 flat angles C4'-P-C4' energy: -77.165 flat angles P-C4'-P energy: -52.433 tors. eta vs tors. theta energy: -98.169 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: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1061.737265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.737265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.737265 (E_RNA) where: Base-Base interactions energy: -681.353 where: short stacking energy: -298.550 Base-Backbone interact. energy: -0.021 local terms energy: -380.364072 where: bonds (distance) C4'-P energy: -77.476 bonds (distance) P-C4' energy: -84.119 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -60.942 tors. eta vs tors. theta energy: -89.475 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: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -869.361723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.361723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.361723 (E_RNA) where: Base-Base interactions energy: -558.318 where: short stacking energy: -254.900 Base-Backbone interact. energy: -0.744 local terms energy: -310.299554 where: bonds (distance) C4'-P energy: -49.568 bonds (distance) P-C4' energy: -69.801 flat angles C4'-P-C4' energy: -73.936 flat angles P-C4'-P energy: -51.457 tors. eta vs tors. theta energy: -65.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -726.056497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.056497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.056497 (E_RNA) where: Base-Base interactions energy: -419.821 where: short stacking energy: -209.334 Base-Backbone interact. energy: -1.325 local terms energy: -304.910625 where: bonds (distance) C4'-P energy: -63.062 bonds (distance) P-C4' energy: -79.942 flat angles C4'-P-C4' energy: -79.331 flat angles P-C4'-P energy: -31.736 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: 8, replica: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -476.951655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.951655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.951655 (E_RNA) where: Base-Base interactions energy: -233.702 where: short stacking energy: -137.543 Base-Backbone interact. energy: 1.136 local terms energy: -244.385458 where: bonds (distance) C4'-P energy: -70.040 bonds (distance) P-C4' energy: -62.337 flat angles C4'-P-C4' energy: -63.694 flat angles P-C4'-P energy: -40.969 tors. eta vs tors. theta energy: -7.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -344.977452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.977452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.977452 (E_RNA) where: Base-Base interactions energy: -140.191 where: short stacking energy: -99.922 Base-Backbone interact. energy: 1.099 local terms energy: -205.884828 where: bonds (distance) C4'-P energy: -57.004 bonds (distance) P-C4' energy: -68.973 flat angles C4'-P-C4' energy: -50.207 flat angles P-C4'-P energy: -40.068 tors. eta vs tors. theta energy: 10.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -308.061621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.061621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.061621 (E_RNA) where: Base-Base interactions energy: -101.778 where: short stacking energy: -86.982 Base-Backbone interact. energy: 1.787 local terms energy: -208.070835 where: bonds (distance) C4'-P energy: -74.942 bonds (distance) P-C4' energy: -73.773 flat angles C4'-P-C4' energy: -54.434 flat angles P-C4'-P energy: -22.049 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: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1347.816369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.816369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.816369 (E_RNA) where: Base-Base interactions energy: -926.726 where: short stacking energy: -390.807 Base-Backbone interact. energy: -1.650 local terms energy: -419.440823 where: bonds (distance) C4'-P energy: -69.427 bonds (distance) P-C4' energy: -74.865 flat angles C4'-P-C4' energy: -96.404 flat angles P-C4'-P energy: -59.794 tors. eta vs tors. theta energy: -118.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1279.088477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.088477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.088477 (E_RNA) where: Base-Base interactions energy: -860.468 where: short stacking energy: -377.701 Base-Backbone interact. energy: -1.444 local terms energy: -417.175611 where: bonds (distance) C4'-P energy: -76.142 bonds (distance) P-C4' energy: -80.767 flat angles C4'-P-C4' energy: -88.244 flat angles P-C4'-P energy: -65.260 tors. eta vs tors. theta energy: -106.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1175.451504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.451504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.451504 (E_RNA) where: Base-Base interactions energy: -796.357 where: short stacking energy: -321.577 Base-Backbone interact. energy: -2.087 local terms energy: -377.007830 where: bonds (distance) C4'-P energy: -61.951 bonds (distance) P-C4' energy: -83.134 flat angles C4'-P-C4' energy: -76.758 flat angles P-C4'-P energy: -56.480 tors. eta vs tors. theta energy: -98.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1142.925388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.925388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.925388 (E_RNA) where: Base-Base interactions energy: -761.864 where: short stacking energy: -342.367 Base-Backbone interact. energy: 1.304 local terms energy: -382.365797 where: bonds (distance) C4'-P energy: -66.339 bonds (distance) P-C4' energy: -69.036 flat angles C4'-P-C4' energy: -79.968 flat angles P-C4'-P energy: -52.665 tors. eta vs tors. theta energy: -114.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1019.781967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.781967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.781967 (E_RNA) where: Base-Base interactions energy: -659.074 where: short stacking energy: -301.661 Base-Backbone interact. energy: -0.555 local terms energy: -360.153016 where: bonds (distance) C4'-P energy: -77.381 bonds (distance) P-C4' energy: -66.763 flat angles C4'-P-C4' energy: -83.375 flat angles P-C4'-P energy: -42.776 tors. eta vs tors. theta energy: -89.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -906.192936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.192936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.192936 (E_RNA) where: Base-Base interactions energy: -578.652 where: short stacking energy: -253.239 Base-Backbone interact. energy: -1.655 local terms energy: -325.885459 where: bonds (distance) C4'-P energy: -61.746 bonds (distance) P-C4' energy: -76.218 flat angles C4'-P-C4' energy: -72.610 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -67.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -681.560735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.560735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.560735 (E_RNA) where: Base-Base interactions energy: -401.611 where: short stacking energy: -188.873 Base-Backbone interact. energy: 1.193 local terms energy: -281.142442 where: bonds (distance) C4'-P energy: -78.403 bonds (distance) P-C4' energy: -70.203 flat angles C4'-P-C4' energy: -64.792 flat angles P-C4'-P energy: -38.651 tors. eta vs tors. theta energy: -29.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -445.836084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.836084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.836084 (E_RNA) where: Base-Base interactions energy: -209.799 where: short stacking energy: -141.713 Base-Backbone interact. energy: -1.059 local terms energy: -234.978899 where: bonds (distance) C4'-P energy: -62.842 bonds (distance) P-C4' energy: -71.839 flat angles C4'-P-C4' energy: -63.089 flat angles P-C4'-P energy: -31.703 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -351.476440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.476440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.476440 (E_RNA) where: Base-Base interactions energy: -139.593 where: short stacking energy: -90.706 Base-Backbone interact. energy: 0.086 local terms energy: -211.969573 where: bonds (distance) C4'-P energy: -65.195 bonds (distance) P-C4' energy: -78.015 flat angles C4'-P-C4' energy: -48.050 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: 19.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -289.312707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.312707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.312707 (E_RNA) where: Base-Base interactions energy: -106.910 where: short stacking energy: -66.087 Base-Backbone interact. energy: -2.376 local terms energy: -180.027154 where: bonds (distance) C4'-P energy: -69.264 bonds (distance) P-C4' energy: -47.327 flat angles C4'-P-C4' energy: -64.187 flat angles P-C4'-P energy: -27.315 tors. eta vs tors. theta energy: 28.066 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: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1366.916275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.916275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.916275 (E_RNA) where: Base-Base interactions energy: -935.384 where: short stacking energy: -386.304 Base-Backbone interact. energy: -0.535 local terms energy: -430.997051 where: bonds (distance) C4'-P energy: -66.740 bonds (distance) P-C4' energy: -73.843 flat angles C4'-P-C4' energy: -96.595 flat angles P-C4'-P energy: -73.658 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: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1267.108127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.108127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.108127 (E_RNA) where: Base-Base interactions energy: -876.087 where: short stacking energy: -373.961 Base-Backbone interact. energy: -1.538 local terms energy: -389.483055 where: bonds (distance) C4'-P energy: -78.748 bonds (distance) P-C4' energy: -78.475 flat angles C4'-P-C4' energy: -78.284 flat angles P-C4'-P energy: -45.766 tors. eta vs tors. theta energy: -108.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1178.496235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.496235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.496235 (E_RNA) where: Base-Base interactions energy: -790.873 where: short stacking energy: -346.056 Base-Backbone interact. energy: -1.089 local terms energy: -386.534431 where: bonds (distance) C4'-P energy: -73.150 bonds (distance) P-C4' energy: -74.600 flat angles C4'-P-C4' energy: -81.958 flat angles P-C4'-P energy: -53.536 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: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1125.222863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.222863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.222863 (E_RNA) where: Base-Base interactions energy: -759.445 where: short stacking energy: -313.997 Base-Backbone interact. energy: -0.223 local terms energy: -365.555201 where: bonds (distance) C4'-P energy: -71.747 bonds (distance) P-C4' energy: -80.122 flat angles C4'-P-C4' energy: -70.575 flat angles P-C4'-P energy: -43.201 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: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1041.868144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.868144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.868144 (E_RNA) where: Base-Base interactions energy: -698.621 where: short stacking energy: -279.591 Base-Backbone interact. energy: 2.333 local terms energy: -345.580582 where: bonds (distance) C4'-P energy: -59.802 bonds (distance) P-C4' energy: -77.464 flat angles C4'-P-C4' energy: -78.605 flat angles P-C4'-P energy: -57.988 tors. eta vs tors. theta energy: -71.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -900.125963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.125963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.125963 (E_RNA) where: Base-Base interactions energy: -582.609 where: short stacking energy: -256.770 Base-Backbone interact. energy: -0.446 local terms energy: -317.071046 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -65.697 flat angles C4'-P-C4' energy: -69.588 flat angles P-C4'-P energy: -44.511 tors. eta vs tors. theta energy: -68.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -722.978377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.978377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.978377 (E_RNA) where: Base-Base interactions energy: -426.553 where: short stacking energy: -213.191 Base-Backbone interact. energy: -1.589 local terms energy: -294.836595 where: bonds (distance) C4'-P energy: -70.310 bonds (distance) P-C4' energy: -78.154 flat angles C4'-P-C4' energy: -65.309 flat angles P-C4'-P energy: -37.174 tors. eta vs tors. theta energy: -43.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -432.407081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.407081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.407081 (E_RNA) where: Base-Base interactions energy: -195.941 where: short stacking energy: -115.663 Base-Backbone interact. energy: -1.884 local terms energy: -234.582097 where: bonds (distance) C4'-P energy: -62.629 bonds (distance) P-C4' energy: -76.296 flat angles C4'-P-C4' energy: -57.332 flat angles P-C4'-P energy: -37.998 tors. eta vs tors. theta energy: -0.327 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: 440 Temperature: 1.300000 Total energy: -348.537216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.537216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.537216 (E_RNA) where: Base-Base interactions energy: -162.801 where: short stacking energy: -93.237 Base-Backbone interact. energy: 11.189 local terms energy: -196.924878 where: bonds (distance) C4'-P energy: -58.778 bonds (distance) P-C4' energy: -75.674 flat angles C4'-P-C4' energy: -57.700 flat angles P-C4'-P energy: -23.992 tors. eta vs tors. theta energy: 19.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -301.531467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.531467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.531467 (E_RNA) where: Base-Base interactions energy: -105.265 where: short stacking energy: -73.028 Base-Backbone interact. energy: 0.155 local terms energy: -196.421622 where: bonds (distance) C4'-P energy: -71.336 bonds (distance) P-C4' energy: -67.739 flat angles C4'-P-C4' energy: -49.544 flat angles P-C4'-P energy: -28.715 tors. eta vs tors. theta energy: 20.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1380.465315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.465315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.465315 (E_RNA) where: Base-Base interactions energy: -941.855 where: short stacking energy: -390.187 Base-Backbone interact. energy: -1.725 local terms energy: -436.885120 where: bonds (distance) C4'-P energy: -77.589 bonds (distance) P-C4' energy: -80.640 flat angles C4'-P-C4' energy: -96.135 flat angles P-C4'-P energy: -62.317 tors. eta vs tors. theta energy: -120.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1257.518169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.518169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.518169 (E_RNA) where: Base-Base interactions energy: -832.114 where: short stacking energy: -364.771 Base-Backbone interact. energy: -3.355 local terms energy: -422.049326 where: bonds (distance) C4'-P energy: -84.479 bonds (distance) P-C4' energy: -78.655 flat angles C4'-P-C4' energy: -91.020 flat angles P-C4'-P energy: -52.492 tors. eta vs tors. theta energy: -115.405 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: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1216.881042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.881042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.881042 (E_RNA) where: Base-Base interactions energy: -810.308 where: short stacking energy: -364.709 Base-Backbone interact. energy: -1.102 local terms energy: -405.471198 where: bonds (distance) C4'-P energy: -70.572 bonds (distance) P-C4' energy: -75.439 flat angles C4'-P-C4' energy: -85.952 flat angles P-C4'-P energy: -58.323 tors. eta vs tors. theta energy: -115.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1102.291513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.291513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.291513 (E_RNA) where: Base-Base interactions energy: -739.264 where: short stacking energy: -321.650 Base-Backbone interact. energy: -2.291 local terms energy: -360.736348 where: bonds (distance) C4'-P energy: -66.263 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -86.657 flat angles P-C4'-P energy: -45.977 tors. eta vs tors. theta energy: -94.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1037.869419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.869419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.869419 (E_RNA) where: Base-Base interactions energy: -683.278 where: short stacking energy: -302.967 Base-Backbone interact. energy: -1.775 local terms energy: -352.816945 where: bonds (distance) C4'-P energy: -83.367 bonds (distance) P-C4' energy: -76.970 flat angles C4'-P-C4' energy: -83.062 flat angles P-C4'-P energy: -28.205 tors. eta vs tors. theta energy: -81.213 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: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -902.708444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.708444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.708444 (E_RNA) where: Base-Base interactions energy: -575.944 where: short stacking energy: -250.790 Base-Backbone interact. energy: -0.558 local terms energy: -326.206383 where: bonds (distance) C4'-P energy: -67.478 bonds (distance) P-C4' energy: -65.671 flat angles C4'-P-C4' energy: -84.034 flat angles P-C4'-P energy: -45.124 tors. eta vs tors. theta energy: -63.899 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: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -680.839221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.839221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.839221 (E_RNA) where: Base-Base interactions energy: -397.693 where: short stacking energy: -182.778 Base-Backbone interact. energy: -0.915 local terms energy: -282.231576 where: bonds (distance) C4'-P energy: -60.078 bonds (distance) P-C4' energy: -79.173 flat angles C4'-P-C4' energy: -72.918 flat angles P-C4'-P energy: -37.104 tors. eta vs tors. theta energy: -32.959 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: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -504.403071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.403071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.403071 (E_RNA) where: Base-Base interactions energy: -260.047 where: short stacking energy: -149.304 Base-Backbone interact. energy: -1.056 local terms energy: -243.299930 where: bonds (distance) C4'-P energy: -63.694 bonds (distance) P-C4' energy: -69.217 flat angles C4'-P-C4' energy: -59.758 flat angles P-C4'-P energy: -33.027 tors. eta vs tors. theta energy: -17.603 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: 441 Temperature: 1.300000 Total energy: -391.489834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.489834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.489834 (E_RNA) where: Base-Base interactions energy: -151.058 where: short stacking energy: -116.793 Base-Backbone interact. energy: 2.301 local terms energy: -242.733297 where: bonds (distance) C4'-P energy: -59.685 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -56.356 flat angles P-C4'-P energy: -50.271 tors. eta vs tors. theta energy: -12.366 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: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -310.546980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.546980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.546980 (E_RNA) where: Base-Base interactions energy: -82.854 where: short stacking energy: -74.638 Base-Backbone interact. energy: -0.595 local terms energy: -227.097611 where: bonds (distance) C4'-P energy: -85.651 bonds (distance) P-C4' energy: -77.122 flat angles C4'-P-C4' energy: -48.532 flat angles P-C4'-P energy: -32.576 tors. eta vs tors. theta energy: 16.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1364.692603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.692603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.692603 (E_RNA) where: Base-Base interactions energy: -928.324 where: short stacking energy: -402.530 Base-Backbone interact. energy: -3.303 local terms energy: -433.066204 where: bonds (distance) C4'-P energy: -65.783 bonds (distance) P-C4' energy: -85.081 flat angles C4'-P-C4' energy: -93.132 flat angles P-C4'-P energy: -63.267 tors. eta vs tors. theta energy: -125.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1258.553457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.553457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.553457 (E_RNA) where: Base-Base interactions energy: -845.387 where: short stacking energy: -364.689 Base-Backbone interact. energy: -0.392 local terms energy: -412.773905 where: bonds (distance) C4'-P energy: -80.353 bonds (distance) P-C4' energy: -75.922 flat angles C4'-P-C4' energy: -91.187 flat angles P-C4'-P energy: -57.318 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: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1213.751913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.751913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.751913 (E_RNA) where: Base-Base interactions energy: -803.462 where: short stacking energy: -358.323 Base-Backbone interact. energy: 0.023 local terms energy: -410.313118 where: bonds (distance) C4'-P energy: -79.479 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -85.247 flat angles P-C4'-P energy: -53.098 tors. eta vs tors. theta energy: -116.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1097.438659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.438659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.438659 (E_RNA) where: Base-Base interactions energy: -715.885 where: short stacking energy: -332.826 Base-Backbone interact. energy: -3.521 local terms energy: -378.032767 where: bonds (distance) C4'-P energy: -75.811 bonds (distance) P-C4' energy: -79.406 flat angles C4'-P-C4' energy: -83.755 flat angles P-C4'-P energy: -40.220 tors. eta vs tors. theta energy: -98.840 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: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -994.823939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.823939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.823939 (E_RNA) where: Base-Base interactions energy: -656.793 where: short stacking energy: -274.052 Base-Backbone interact. energy: 0.119 local terms energy: -338.149437 where: bonds (distance) C4'-P energy: -65.612 bonds (distance) P-C4' energy: -71.131 flat angles C4'-P-C4' energy: -67.791 flat angles P-C4'-P energy: -54.541 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: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -925.829612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.829612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.829612 (E_RNA) where: Base-Base interactions energy: -598.515 where: short stacking energy: -267.933 Base-Backbone interact. energy: -0.956 local terms energy: -326.358429 where: bonds (distance) C4'-P energy: -75.308 bonds (distance) P-C4' energy: -71.370 flat angles C4'-P-C4' energy: -78.898 flat angles P-C4'-P energy: -39.145 tors. eta vs tors. theta energy: -61.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -720.886477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.886477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.886477 (E_RNA) where: Base-Base interactions energy: -424.704 where: short stacking energy: -199.675 Base-Backbone interact. energy: -4.844 local terms energy: -291.338499 where: bonds (distance) C4'-P energy: -55.173 bonds (distance) P-C4' energy: -73.311 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -39.977 tors. eta vs tors. theta energy: -42.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -495.056109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.056109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.056109 (E_RNA) where: Base-Base interactions energy: -248.634 where: short stacking energy: -160.011 Base-Backbone interact. energy: 2.507 local terms energy: -248.929472 where: bonds (distance) C4'-P energy: -55.732 bonds (distance) P-C4' energy: -66.737 flat angles C4'-P-C4' energy: -53.732 flat angles P-C4'-P energy: -52.150 tors. eta vs tors. theta energy: -20.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -337.450549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.450549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.450549 (E_RNA) where: Base-Base interactions energy: -103.002 where: short stacking energy: -88.744 Base-Backbone interact. energy: -0.370 local terms energy: -234.078649 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -62.284 flat angles C4'-P-C4' energy: -76.067 flat angles P-C4'-P energy: -42.446 tors. eta vs tors. theta energy: 8.094 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: 1 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -312.504245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.504245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.504245 (E_RNA) where: Base-Base interactions energy: -109.164 where: short stacking energy: -82.048 Base-Backbone interact. energy: -1.999 local terms energy: -201.341345 where: bonds (distance) C4'-P energy: -52.288 bonds (distance) P-C4' energy: -75.101 flat angles C4'-P-C4' energy: -55.542 flat angles P-C4'-P energy: -32.891 tors. eta vs tors. theta energy: 14.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1383.771960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.771960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.771960 (E_RNA) where: Base-Base interactions energy: -944.777 where: short stacking energy: -394.020 Base-Backbone interact. energy: -0.717 local terms energy: -438.277056 where: bonds (distance) C4'-P energy: -75.608 bonds (distance) P-C4' energy: -73.420 flat angles C4'-P-C4' energy: -95.029 flat angles P-C4'-P energy: -70.509 tors. eta vs tors. theta energy: -123.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1246.377390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.377390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.377390 (E_RNA) where: Base-Base interactions energy: -827.234 where: short stacking energy: -377.252 Base-Backbone interact. energy: 0.459 local terms energy: -419.602085 where: bonds (distance) C4'-P energy: -77.677 bonds (distance) P-C4' energy: -81.133 flat angles C4'-P-C4' energy: -86.994 flat angles P-C4'-P energy: -52.634 tors. eta vs tors. theta energy: -121.164 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: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1213.342699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.342699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.342699 (E_RNA) where: Base-Base interactions energy: -830.896 where: short stacking energy: -359.962 Base-Backbone interact. energy: -2.715 local terms energy: -379.730924 where: bonds (distance) C4'-P energy: -72.271 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -74.797 flat angles P-C4'-P energy: -61.617 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: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1092.369227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.369227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.369227 (E_RNA) where: Base-Base interactions energy: -703.987 where: short stacking energy: -307.130 Base-Backbone interact. energy: -2.309 local terms energy: -386.073222 where: bonds (distance) C4'-P energy: -81.356 bonds (distance) P-C4' energy: -75.704 flat angles C4'-P-C4' energy: -88.932 flat angles P-C4'-P energy: -49.475 tors. eta vs tors. theta energy: -90.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1024.736848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.736848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.736848 (E_RNA) where: Base-Base interactions energy: -657.699 where: short stacking energy: -289.381 Base-Backbone interact. energy: -3.690 local terms energy: -363.347791 where: bonds (distance) C4'-P energy: -69.293 bonds (distance) P-C4' energy: -74.041 flat angles C4'-P-C4' energy: -84.282 flat angles P-C4'-P energy: -48.582 tors. eta vs tors. theta energy: -87.150 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: 443 Temperature: 1.150000 Total energy: -918.821070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.821070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.821070 (E_RNA) where: Base-Base interactions energy: -576.562 where: short stacking energy: -262.180 Base-Backbone interact. energy: -1.103 local terms energy: -341.156149 where: bonds (distance) C4'-P energy: -75.911 bonds (distance) P-C4' energy: -76.149 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -62.223 tors. eta vs tors. theta energy: -59.248 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: 7, replica: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -704.486812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.486812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.486812 (E_RNA) where: Base-Base interactions energy: -429.003 where: short stacking energy: -206.601 Base-Backbone interact. energy: -4.899 local terms energy: -270.584642 where: bonds (distance) C4'-P energy: -56.741 bonds (distance) P-C4' energy: -61.187 flat angles C4'-P-C4' energy: -64.477 flat angles P-C4'-P energy: -54.866 tors. eta vs tors. theta energy: -33.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -482.876431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.876431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.876431 (E_RNA) where: Base-Base interactions energy: -222.706 where: short stacking energy: -133.213 Base-Backbone interact. energy: -2.683 local terms energy: -257.487000 where: bonds (distance) C4'-P energy: -72.713 bonds (distance) P-C4' energy: -73.055 flat angles C4'-P-C4' energy: -58.918 flat angles P-C4'-P energy: -38.182 tors. eta vs tors. theta energy: -14.620 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: 9, replica: 4 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -347.406595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.406595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.406595 (E_RNA) where: Base-Base interactions energy: -150.545 where: short stacking energy: -111.028 Base-Backbone interact. energy: -1.741 local terms energy: -195.121006 where: bonds (distance) C4'-P energy: -75.054 bonds (distance) P-C4' energy: -66.069 flat angles C4'-P-C4' energy: -52.872 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: 4.380 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: 10, replica: 1 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -330.609309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.609309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.609309 (E_RNA) where: Base-Base interactions energy: -136.579 where: short stacking energy: -73.289 Base-Backbone interact. energy: 2.318 local terms energy: -196.348697 where: bonds (distance) C4'-P energy: -73.637 bonds (distance) P-C4' energy: -53.229 flat angles C4'-P-C4' energy: -47.227 flat angles P-C4'-P energy: -41.578 tors. eta vs tors. theta energy: 19.322 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: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1360.516463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.516463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.516463 (E_RNA) where: Base-Base interactions energy: -923.837 where: short stacking energy: -385.902 Base-Backbone interact. energy: -4.793 local terms energy: -431.887151 where: bonds (distance) C4'-P energy: -88.943 bonds (distance) P-C4' energy: -77.908 flat angles C4'-P-C4' energy: -93.991 flat angles P-C4'-P energy: -59.010 tors. eta vs tors. theta energy: -112.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1235.217911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.217911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.217911 (E_RNA) where: Base-Base interactions energy: -834.242 where: short stacking energy: -377.875 Base-Backbone interact. energy: -4.881 local terms energy: -396.094924 where: bonds (distance) C4'-P energy: -69.840 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -40.419 tors. eta vs tors. theta energy: -115.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1227.562549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.562549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.562549 (E_RNA) where: Base-Base interactions energy: -844.392 where: short stacking energy: -358.761 Base-Backbone interact. energy: -2.526 local terms energy: -380.643604 where: bonds (distance) C4'-P energy: -57.634 bonds (distance) P-C4' energy: -79.048 flat angles C4'-P-C4' energy: -78.672 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -112.344 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: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1101.462766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.462766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.462766 (E_RNA) where: Base-Base interactions energy: -732.809 where: short stacking energy: -326.429 Base-Backbone interact. energy: -0.171 local terms energy: -368.482960 where: bonds (distance) C4'-P energy: -74.178 bonds (distance) P-C4' energy: -71.898 flat angles C4'-P-C4' energy: -73.364 flat angles P-C4'-P energy: -55.268 tors. eta vs tors. theta energy: -93.775 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: 444 Temperature: 1.100000 Total energy: -1038.530561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.530561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.530561 (E_RNA) where: Base-Base interactions energy: -686.728 where: short stacking energy: -306.508 Base-Backbone interact. energy: -1.788 local terms energy: -350.014326 where: bonds (distance) C4'-P energy: -63.325 bonds (distance) P-C4' energy: -74.049 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -50.913 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: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -848.447353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.447353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.447353 (E_RNA) where: Base-Base interactions energy: -542.586 where: short stacking energy: -229.479 Base-Backbone interact. energy: -3.309 local terms energy: -302.552873 where: bonds (distance) C4'-P energy: -72.644 bonds (distance) P-C4' energy: -66.226 flat angles C4'-P-C4' energy: -68.257 flat angles P-C4'-P energy: -35.452 tors. eta vs tors. theta energy: -59.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -732.415954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.415954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.415954 (E_RNA) where: Base-Base interactions energy: -459.553 where: short stacking energy: -206.772 Base-Backbone interact. energy: 5.623 local terms energy: -278.486306 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -61.816 flat angles C4'-P-C4' energy: -77.119 flat angles P-C4'-P energy: -40.876 tors. eta vs tors. theta energy: -46.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -434.282602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.282602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.282602 (E_RNA) where: Base-Base interactions energy: -205.543 where: short stacking energy: -101.441 Base-Backbone interact. energy: -0.062 local terms energy: -228.677015 where: bonds (distance) C4'-P energy: -62.996 bonds (distance) P-C4' energy: -78.408 flat angles C4'-P-C4' energy: -54.812 flat angles P-C4'-P energy: -43.299 tors. eta vs tors. theta energy: 10.838 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: 9, replica: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -402.655238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.655238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.655238 (E_RNA) where: Base-Base interactions energy: -187.092 where: short stacking energy: -110.251 Base-Backbone interact. energy: -4.674 local terms energy: -210.889474 where: bonds (distance) C4'-P energy: -70.607 bonds (distance) P-C4' energy: -60.384 flat angles C4'-P-C4' energy: -41.680 flat angles P-C4'-P energy: -34.979 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: 10, replica: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -317.505679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.505679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.505679 (E_RNA) where: Base-Base interactions energy: -121.741 where: short stacking energy: -89.754 Base-Backbone interact. energy: 1.482 local terms energy: -197.247013 where: bonds (distance) C4'-P energy: -61.662 bonds (distance) P-C4' energy: -65.395 flat angles C4'-P-C4' energy: -56.027 flat angles P-C4'-P energy: -29.392 tors. eta vs tors. theta energy: 15.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1370.992587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.992587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.992587 (E_RNA) where: Base-Base interactions energy: -951.056 where: short stacking energy: -396.483 Base-Backbone interact. energy: 3.321 local terms energy: -423.257773 where: bonds (distance) C4'-P energy: -84.458 bonds (distance) P-C4' energy: -77.136 flat angles C4'-P-C4' energy: -85.892 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -118.546 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: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1240.654743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.654743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.654743 (E_RNA) where: Base-Base interactions energy: -825.209 where: short stacking energy: -359.953 Base-Backbone interact. energy: 4.811 local terms energy: -420.256944 where: bonds (distance) C4'-P energy: -79.275 bonds (distance) P-C4' energy: -90.587 flat angles C4'-P-C4' energy: -89.574 flat angles P-C4'-P energy: -47.210 tors. eta vs tors. theta energy: -113.611 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: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1222.925446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.925446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.925446 (E_RNA) where: Base-Base interactions energy: -833.752 where: short stacking energy: -376.063 Base-Backbone interact. energy: -1.239 local terms energy: -387.935373 where: bonds (distance) C4'-P energy: -64.974 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -84.171 flat angles P-C4'-P energy: -57.420 tors. eta vs tors. theta energy: -112.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1115.291899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.291899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.291899 (E_RNA) where: Base-Base interactions energy: -761.384 where: short stacking energy: -339.603 Base-Backbone interact. energy: 1.253 local terms energy: -355.161469 where: bonds (distance) C4'-P energy: -68.295 bonds (distance) P-C4' energy: -63.645 flat angles C4'-P-C4' energy: -73.151 flat angles P-C4'-P energy: -46.024 tors. eta vs tors. theta energy: -104.046 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: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1020.303796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.303796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.303796 (E_RNA) where: Base-Base interactions energy: -679.108 where: short stacking energy: -303.639 Base-Backbone interact. energy: -1.238 local terms energy: -339.956917 where: bonds (distance) C4'-P energy: -67.025 bonds (distance) P-C4' energy: -67.399 flat angles C4'-P-C4' energy: -68.719 flat angles P-C4'-P energy: -59.401 tors. eta vs tors. theta energy: -77.413 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: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -937.742792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.742792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.742792 (E_RNA) where: Base-Base interactions energy: -598.756 where: short stacking energy: -275.357 Base-Backbone interact. energy: 0.984 local terms energy: -339.970942 where: bonds (distance) C4'-P energy: -75.722 bonds (distance) P-C4' energy: -74.994 flat angles C4'-P-C4' energy: -77.103 flat angles P-C4'-P energy: -43.970 tors. eta vs tors. theta energy: -68.182 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: 7, replica: 7 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -734.471840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.471840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.471840 (E_RNA) where: Base-Base interactions energy: -453.384 where: short stacking energy: -187.544 Base-Backbone interact. energy: 3.786 local terms energy: -284.873523 where: bonds (distance) C4'-P energy: -59.537 bonds (distance) P-C4' energy: -65.907 flat angles C4'-P-C4' energy: -70.365 flat angles P-C4'-P energy: -47.301 tors. eta vs tors. theta energy: -41.764 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: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -480.407974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.407974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.407974 (E_RNA) where: Base-Base interactions energy: -226.815 where: short stacking energy: -125.454 Base-Backbone interact. energy: -1.200 local terms energy: -252.393192 where: bonds (distance) C4'-P energy: -72.141 bonds (distance) P-C4' energy: -66.728 flat angles C4'-P-C4' energy: -57.445 flat angles P-C4'-P energy: -47.799 tors. eta vs tors. theta energy: -8.280 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: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -408.320230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.320230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.320230 (E_RNA) where: Base-Base interactions energy: -190.713 where: short stacking energy: -124.487 Base-Backbone interact. energy: 7.548 local terms energy: -225.155043 where: bonds (distance) C4'-P energy: -57.056 bonds (distance) P-C4' energy: -60.973 flat angles C4'-P-C4' energy: -62.606 flat angles P-C4'-P energy: -34.795 tors. eta vs tors. theta energy: -9.726 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: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -317.830101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.830101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.830101 (E_RNA) where: Base-Base interactions energy: -108.763 where: short stacking energy: -85.913 Base-Backbone interact. energy: -0.035 local terms energy: -209.032096 where: bonds (distance) C4'-P energy: -54.237 bonds (distance) P-C4' energy: -73.340 flat angles C4'-P-C4' energy: -57.571 flat angles P-C4'-P energy: -39.066 tors. eta vs tors. theta energy: 15.182 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: 446 Temperature: 0.900000 Total energy: -1387.206734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.206734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.206734 (E_RNA) where: Base-Base interactions energy: -969.910 where: short stacking energy: -406.094 Base-Backbone interact. energy: -1.620 local terms energy: -415.676844 where: bonds (distance) C4'-P energy: -78.134 bonds (distance) P-C4' energy: -77.098 flat angles C4'-P-C4' energy: -86.438 flat angles P-C4'-P energy: -53.218 tors. eta vs tors. theta energy: -120.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1223.533891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.533891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.533891 (E_RNA) where: Base-Base interactions energy: -809.531 where: short stacking energy: -358.844 Base-Backbone interact. energy: -1.203 local terms energy: -412.800006 where: bonds (distance) C4'-P energy: -82.754 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -89.054 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: -102.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1195.021014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.021014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.021014 (E_RNA) where: Base-Base interactions energy: -783.399 where: short stacking energy: -349.808 Base-Backbone interact. energy: -1.554 local terms energy: -410.067731 where: bonds (distance) C4'-P energy: -74.210 bonds (distance) P-C4' energy: -79.754 flat angles C4'-P-C4' energy: -92.955 flat angles P-C4'-P energy: -53.531 tors. eta vs tors. theta energy: -109.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1142.687521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.687521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.687521 (E_RNA) where: Base-Base interactions energy: -756.834 where: short stacking energy: -332.766 Base-Backbone interact. energy: -1.575 local terms energy: -384.278642 where: bonds (distance) C4'-P energy: -85.612 bonds (distance) P-C4' energy: -75.929 flat angles C4'-P-C4' energy: -74.527 flat angles P-C4'-P energy: -52.291 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: 5, replica: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -985.215494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.215494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.215494 (E_RNA) where: Base-Base interactions energy: -652.537 where: short stacking energy: -294.001 Base-Backbone interact. energy: -2.066 local terms energy: -330.612724 where: bonds (distance) C4'-P energy: -66.514 bonds (distance) P-C4' energy: -69.553 flat angles C4'-P-C4' energy: -77.751 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: -70.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -967.828409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.828409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.828409 (E_RNA) where: Base-Base interactions energy: -638.325 where: short stacking energy: -283.807 Base-Backbone interact. energy: -0.684 local terms energy: -328.818900 where: bonds (distance) C4'-P energy: -55.370 bonds (distance) P-C4' energy: -65.946 flat angles C4'-P-C4' energy: -72.468 flat angles P-C4'-P energy: -60.223 tors. eta vs tors. theta energy: -74.812 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: 446 Temperature: 1.200000 Total energy: -725.230238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.230238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.230238 (E_RNA) where: Base-Base interactions energy: -430.414 where: short stacking energy: -179.583 Base-Backbone interact. energy: 0.192 local terms energy: -295.008832 where: bonds (distance) C4'-P energy: -69.265 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -75.048 flat angles P-C4'-P energy: -55.283 tors. eta vs tors. theta energy: -33.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -444.916770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.916770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.916770 (E_RNA) where: Base-Base interactions energy: -199.950 where: short stacking energy: -116.492 Base-Backbone interact. energy: 9.918 local terms energy: -254.885439 where: bonds (distance) C4'-P energy: -67.355 bonds (distance) P-C4' energy: -85.335 flat angles C4'-P-C4' energy: -55.070 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: -8.587 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: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -415.732481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.732481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.732481 (E_RNA) where: Base-Base interactions energy: -188.157 where: short stacking energy: -109.182 Base-Backbone interact. energy: -1.960 local terms energy: -225.615600 where: bonds (distance) C4'-P energy: -60.195 bonds (distance) P-C4' energy: -66.149 flat angles C4'-P-C4' energy: -63.147 flat angles P-C4'-P energy: -35.962 tors. eta vs tors. theta energy: -0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -297.087207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.087207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.087207 (E_RNA) where: Base-Base interactions energy: -95.493 where: short stacking energy: -89.504 Base-Backbone interact. energy: 2.025 local terms energy: -203.619379 where: bonds (distance) C4'-P energy: -66.394 bonds (distance) P-C4' energy: -70.559 flat angles C4'-P-C4' energy: -58.445 flat angles P-C4'-P energy: -21.404 tors. eta vs tors. theta energy: 13.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1356.266879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.266879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.266879 (E_RNA) where: Base-Base interactions energy: -954.996 where: short stacking energy: -379.924 Base-Backbone interact. energy: -0.389 local terms energy: -400.881239 where: bonds (distance) C4'-P energy: -77.216 bonds (distance) P-C4' energy: -74.051 flat angles C4'-P-C4' energy: -87.447 flat angles P-C4'-P energy: -47.677 tors. eta vs tors. theta energy: -114.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1254.657867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.657867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.657867 (E_RNA) where: Base-Base interactions energy: -839.970 where: short stacking energy: -369.892 Base-Backbone interact. energy: -0.575 local terms energy: -414.112670 where: bonds (distance) C4'-P energy: -81.247 bonds (distance) P-C4' energy: -74.922 flat angles C4'-P-C4' energy: -88.527 flat angles P-C4'-P energy: -61.849 tors. eta vs tors. theta energy: -107.567 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: 3, replica: 10 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1193.321256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.321256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.321256 (E_RNA) where: Base-Base interactions energy: -796.492 where: short stacking energy: -355.780 Base-Backbone interact. energy: 0.054 local terms energy: -396.883039 where: bonds (distance) C4'-P energy: -85.255 bonds (distance) P-C4' energy: -75.422 flat angles C4'-P-C4' energy: -76.430 flat angles P-C4'-P energy: -50.198 tors. eta vs tors. theta energy: -109.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1172.111698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.111698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.111698 (E_RNA) where: Base-Base interactions energy: -784.871 where: short stacking energy: -351.904 Base-Backbone interact. energy: -1.237 local terms energy: -386.004255 where: bonds (distance) C4'-P energy: -74.077 bonds (distance) P-C4' energy: -73.616 flat angles C4'-P-C4' energy: -76.735 flat angles P-C4'-P energy: -54.158 tors. eta vs tors. theta energy: -107.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -962.777106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.777106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.777106 (E_RNA) where: Base-Base interactions energy: -633.412 where: short stacking energy: -277.098 Base-Backbone interact. energy: -3.179 local terms energy: -326.185714 where: bonds (distance) C4'-P energy: -70.377 bonds (distance) P-C4' energy: -67.587 flat angles C4'-P-C4' energy: -67.132 flat angles P-C4'-P energy: -52.289 tors. eta vs tors. theta energy: -68.801 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: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -988.677832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.677832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.677832 (E_RNA) where: Base-Base interactions energy: -646.853 where: short stacking energy: -284.672 Base-Backbone interact. energy: -1.300 local terms energy: -340.524403 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -69.676 flat angles C4'-P-C4' energy: -78.726 flat angles P-C4'-P energy: -39.961 tors. eta vs tors. theta energy: -70.096 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: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -741.027050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.027050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.027050 (E_RNA) where: Base-Base interactions energy: -433.615 where: short stacking energy: -183.810 Base-Backbone interact. energy: -1.597 local terms energy: -305.815363 where: bonds (distance) C4'-P energy: -69.872 bonds (distance) P-C4' energy: -72.307 flat angles C4'-P-C4' energy: -78.323 flat angles P-C4'-P energy: -51.183 tors. eta vs tors. theta energy: -34.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -444.349097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.349097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.349097 (E_RNA) where: Base-Base interactions energy: -196.070 where: short stacking energy: -121.787 Base-Backbone interact. energy: 2.095 local terms energy: -250.374362 where: bonds (distance) C4'-P energy: -56.883 bonds (distance) P-C4' energy: -75.959 flat angles C4'-P-C4' energy: -72.193 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -411.303820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.303820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.303820 (E_RNA) where: Base-Base interactions energy: -193.346 where: short stacking energy: -103.477 Base-Backbone interact. energy: -1.591 local terms energy: -216.366502 where: bonds (distance) C4'-P energy: -68.581 bonds (distance) P-C4' energy: -58.153 flat angles C4'-P-C4' energy: -60.904 flat angles P-C4'-P energy: -17.574 tors. eta vs tors. theta energy: -11.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -308.409759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.409759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.409759 (E_RNA) where: Base-Base interactions energy: -104.787 where: short stacking energy: -96.338 Base-Backbone interact. energy: 2.109 local terms energy: -205.731353 where: bonds (distance) C4'-P energy: -77.369 bonds (distance) P-C4' energy: -65.732 flat angles C4'-P-C4' energy: -49.829 flat angles P-C4'-P energy: -18.559 tors. eta vs tors. theta energy: 5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1364.991449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.991449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.991449 (E_RNA) where: Base-Base interactions energy: -934.425 where: short stacking energy: -368.488 Base-Backbone interact. energy: -2.813 local terms energy: -427.753262 where: bonds (distance) C4'-P energy: -74.292 bonds (distance) P-C4' energy: -82.240 flat angles C4'-P-C4' energy: -90.904 flat angles P-C4'-P energy: -61.704 tors. eta vs tors. theta energy: -118.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1273.869372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.869372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.869372 (E_RNA) where: Base-Base interactions energy: -844.330 where: short stacking energy: -377.848 Base-Backbone interact. energy: -1.519 local terms energy: -428.019915 where: bonds (distance) C4'-P energy: -82.633 bonds (distance) P-C4' energy: -81.729 flat angles C4'-P-C4' energy: -91.495 flat angles P-C4'-P energy: -60.520 tors. eta vs tors. theta energy: -111.643 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: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1226.905566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.905566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.905566 (E_RNA) where: Base-Base interactions energy: -812.556 where: short stacking energy: -376.581 Base-Backbone interact. energy: 1.648 local terms energy: -415.997556 where: bonds (distance) C4'-P energy: -75.016 bonds (distance) P-C4' energy: -77.503 flat angles C4'-P-C4' energy: -89.770 flat angles P-C4'-P energy: -59.048 tors. eta vs tors. theta energy: -114.661 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: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1126.873160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.873160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.873160 (E_RNA) where: Base-Base interactions energy: -752.526 where: short stacking energy: -330.319 Base-Backbone interact. energy: -0.039 local terms energy: -374.308316 where: bonds (distance) C4'-P energy: -64.065 bonds (distance) P-C4' energy: -70.319 flat angles C4'-P-C4' energy: -75.876 flat angles P-C4'-P energy: -53.056 tors. eta vs tors. theta energy: -110.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -975.996184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.996184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.996184 (E_RNA) where: Base-Base interactions energy: -617.926 where: short stacking energy: -290.258 Base-Backbone interact. energy: 0.220 local terms energy: -358.289953 where: bonds (distance) C4'-P energy: -71.298 bonds (distance) P-C4' energy: -74.819 flat angles C4'-P-C4' energy: -79.258 flat angles P-C4'-P energy: -49.467 tors. eta vs tors. theta energy: -83.447 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: 9 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -870.302864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.302864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.302864 (E_RNA) where: Base-Base interactions energy: -550.927 where: short stacking energy: -237.376 Base-Backbone interact. energy: -1.369 local terms energy: -318.006649 where: bonds (distance) C4'-P energy: -63.528 bonds (distance) P-C4' energy: -77.407 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -51.514 tors. eta vs tors. theta energy: -55.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -763.183918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.183918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.183918 (E_RNA) where: Base-Base interactions energy: -479.085 where: short stacking energy: -233.936 Base-Backbone interact. energy: 0.668 local terms energy: -284.767004 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -67.405 flat angles C4'-P-C4' energy: -63.162 flat angles P-C4'-P energy: -38.758 tors. eta vs tors. theta energy: -58.458 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: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -468.250763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.250763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.250763 (E_RNA) where: Base-Base interactions energy: -209.254 where: short stacking energy: -127.008 Base-Backbone interact. energy: -0.451 local terms energy: -258.545635 where: bonds (distance) C4'-P energy: -68.165 bonds (distance) P-C4' energy: -85.400 flat angles C4'-P-C4' energy: -60.786 flat angles P-C4'-P energy: -32.842 tors. eta vs tors. theta energy: -11.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -440.166024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.166024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.166024 (E_RNA) where: Base-Base interactions energy: -230.630 where: short stacking energy: -129.857 Base-Backbone interact. energy: 2.587 local terms energy: -212.123410 where: bonds (distance) C4'-P energy: -65.743 bonds (distance) P-C4' energy: -62.419 flat angles C4'-P-C4' energy: -56.952 flat angles P-C4'-P energy: -25.978 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -309.004485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.004485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.004485 (E_RNA) where: Base-Base interactions energy: -100.584 where: short stacking energy: -92.303 Base-Backbone interact. energy: 2.737 local terms energy: -211.157798 where: bonds (distance) C4'-P energy: -52.841 bonds (distance) P-C4' energy: -66.504 flat angles C4'-P-C4' energy: -55.821 flat angles P-C4'-P energy: -35.152 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1379.948223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.948223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.948223 (E_RNA) where: Base-Base interactions energy: -953.233 where: short stacking energy: -383.614 Base-Backbone interact. energy: -2.402 local terms energy: -424.312778 where: bonds (distance) C4'-P energy: -83.835 bonds (distance) P-C4' energy: -71.780 flat angles C4'-P-C4' energy: -89.545 flat angles P-C4'-P energy: -58.754 tors. eta vs tors. theta energy: -120.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1250.910871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.910871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.910871 (E_RNA) where: Base-Base interactions energy: -860.283 where: short stacking energy: -385.236 Base-Backbone interact. energy: 3.227 local terms energy: -393.854697 where: bonds (distance) C4'-P energy: -69.183 bonds (distance) P-C4' energy: -66.502 flat angles C4'-P-C4' energy: -93.145 flat angles P-C4'-P energy: -50.771 tors. eta vs tors. theta energy: -114.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1234.962257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.962257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.962257 (E_RNA) where: Base-Base interactions energy: -827.538 where: short stacking energy: -348.374 Base-Backbone interact. energy: -2.016 local terms energy: -405.408383 where: bonds (distance) C4'-P energy: -75.348 bonds (distance) P-C4' energy: -72.865 flat angles C4'-P-C4' energy: -86.691 flat angles P-C4'-P energy: -57.316 tors. eta vs tors. theta energy: -113.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1142.178044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.178044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.178044 (E_RNA) where: Base-Base interactions energy: -752.318 where: short stacking energy: -334.996 Base-Backbone interact. energy: -1.297 local terms energy: -388.562666 where: bonds (distance) C4'-P energy: -76.797 bonds (distance) P-C4' energy: -70.023 flat angles C4'-P-C4' energy: -92.139 flat angles P-C4'-P energy: -52.355 tors. eta vs tors. theta energy: -97.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1020.149478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.149478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.149478 (E_RNA) where: Base-Base interactions energy: -670.484 where: short stacking energy: -286.716 Base-Backbone interact. energy: -0.094 local terms energy: -349.572157 where: bonds (distance) C4'-P energy: -66.176 bonds (distance) P-C4' energy: -79.837 flat angles C4'-P-C4' energy: -79.909 flat angles P-C4'-P energy: -50.570 tors. eta vs tors. theta energy: -73.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -804.536851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.536851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.536851 (E_RNA) where: Base-Base interactions energy: -495.147 where: short stacking energy: -225.221 Base-Backbone interact. energy: -2.422 local terms energy: -306.967192 where: bonds (distance) C4'-P energy: -69.757 bonds (distance) P-C4' energy: -77.810 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -53.484 tors. eta vs tors. theta energy: -42.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -760.948181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.948181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.948181 (E_RNA) where: Base-Base interactions energy: -478.325 where: short stacking energy: -217.478 Base-Backbone interact. energy: -2.012 local terms energy: -280.611246 where: bonds (distance) C4'-P energy: -47.250 bonds (distance) P-C4' energy: -67.897 flat angles C4'-P-C4' energy: -66.960 flat angles P-C4'-P energy: -45.271 tors. eta vs tors. theta energy: -53.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -440.524683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.524683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.524683 (E_RNA) where: Base-Base interactions energy: -199.274 where: short stacking energy: -140.954 Base-Backbone interact. energy: 1.347 local terms energy: -242.597651 where: bonds (distance) C4'-P energy: -72.533 bonds (distance) P-C4' energy: -61.310 flat angles C4'-P-C4' energy: -52.357 flat angles P-C4'-P energy: -48.951 tors. eta vs tors. theta energy: -7.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -409.397121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.397121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.397121 (E_RNA) where: Base-Base interactions energy: -194.256 where: short stacking energy: -122.767 Base-Backbone interact. energy: 1.815 local terms energy: -216.956013 where: bonds (distance) C4'-P energy: -58.805 bonds (distance) P-C4' energy: -70.568 flat angles C4'-P-C4' energy: -48.729 flat angles P-C4'-P energy: -35.558 tors. eta vs tors. theta energy: -3.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -328.501103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.501103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.501103 (E_RNA) where: Base-Base interactions energy: -98.276 where: short stacking energy: -81.184 Base-Backbone interact. energy: 0.075 local terms energy: -230.299354 where: bonds (distance) C4'-P energy: -71.935 bonds (distance) P-C4' energy: -70.759 flat angles C4'-P-C4' energy: -67.951 flat angles P-C4'-P energy: -33.116 tors. eta vs tors. theta energy: 13.462 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: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1367.292109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.292109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.292109 (E_RNA) where: Base-Base interactions energy: -956.463 where: short stacking energy: -392.253 Base-Backbone interact. energy: -1.096 local terms energy: -409.733282 where: bonds (distance) C4'-P energy: -79.598 bonds (distance) P-C4' energy: -67.253 flat angles C4'-P-C4' energy: -91.931 flat angles P-C4'-P energy: -49.019 tors. eta vs tors. theta energy: -121.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1242.618220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.618220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.618220 (E_RNA) where: Base-Base interactions energy: -814.120 where: short stacking energy: -364.778 Base-Backbone interact. energy: -0.916 local terms energy: -427.582285 where: bonds (distance) C4'-P energy: -81.734 bonds (distance) P-C4' energy: -74.862 flat angles C4'-P-C4' energy: -82.985 flat angles P-C4'-P energy: -75.766 tors. eta vs tors. theta energy: -112.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1245.007565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.007565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.007565 (E_RNA) where: Base-Base interactions energy: -820.937 where: short stacking energy: -374.524 Base-Backbone interact. energy: -0.834 local terms energy: -423.236107 where: bonds (distance) C4'-P energy: -76.083 bonds (distance) P-C4' energy: -79.993 flat angles C4'-P-C4' energy: -87.235 flat angles P-C4'-P energy: -58.367 tors. eta vs tors. theta energy: -121.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1147.793258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.793258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.793258 (E_RNA) where: Base-Base interactions energy: -754.461 where: short stacking energy: -343.079 Base-Backbone interact. energy: 0.330 local terms energy: -393.662385 where: bonds (distance) C4'-P energy: -86.901 bonds (distance) P-C4' energy: -76.749 flat angles C4'-P-C4' energy: -75.736 flat angles P-C4'-P energy: -47.177 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: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1066.012265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.012265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.012265 (E_RNA) where: Base-Base interactions energy: -700.331 where: short stacking energy: -304.281 Base-Backbone interact. energy: -1.953 local terms energy: -363.727404 where: bonds (distance) C4'-P energy: -67.343 bonds (distance) P-C4' energy: -72.457 flat angles C4'-P-C4' energy: -87.661 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: -92.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -859.631430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.631430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.631430 (E_RNA) where: Base-Base interactions energy: -531.281 where: short stacking energy: -249.195 Base-Backbone interact. energy: -1.835 local terms energy: -326.515584 where: bonds (distance) C4'-P energy: -68.128 bonds (distance) P-C4' energy: -76.486 flat angles C4'-P-C4' energy: -69.996 flat angles P-C4'-P energy: -52.512 tors. eta vs tors. theta energy: -59.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -775.118095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.118095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.118095 (E_RNA) where: Base-Base interactions energy: -488.617 where: short stacking energy: -225.125 Base-Backbone interact. energy: -4.052 local terms energy: -282.449582 where: bonds (distance) C4'-P energy: -52.986 bonds (distance) P-C4' energy: -71.061 flat angles C4'-P-C4' energy: -75.849 flat angles P-C4'-P energy: -35.021 tors. eta vs tors. theta energy: -47.533 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: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -461.851749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.851749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.851749 (E_RNA) where: Base-Base interactions energy: -234.703 where: short stacking energy: -140.734 Base-Backbone interact. energy: -3.602 local terms energy: -223.546923 where: bonds (distance) C4'-P energy: -67.285 bonds (distance) P-C4' energy: -57.117 flat angles C4'-P-C4' energy: -67.759 flat angles P-C4'-P energy: -30.422 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: 9, replica: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -447.590884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.590884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.590884 (E_RNA) where: Base-Base interactions energy: -193.956 where: short stacking energy: -135.742 Base-Backbone interact. energy: -0.236 local terms energy: -253.399007 where: bonds (distance) C4'-P energy: -68.513 bonds (distance) P-C4' energy: -71.718 flat angles C4'-P-C4' energy: -54.550 flat angles P-C4'-P energy: -43.263 tors. eta vs tors. theta energy: -15.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -303.870241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.870241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.870241 (E_RNA) where: Base-Base interactions energy: -90.632 where: short stacking energy: -84.145 Base-Backbone interact. energy: -0.629 local terms energy: -212.609710 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -78.185 flat angles C4'-P-C4' energy: -46.020 flat angles P-C4'-P energy: -30.469 tors. eta vs tors. theta energy: 8.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1388.211908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.211908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.211908 (E_RNA) where: Base-Base interactions energy: -950.181 where: short stacking energy: -382.317 Base-Backbone interact. energy: -2.443 local terms energy: -435.588429 where: bonds (distance) C4'-P energy: -91.409 bonds (distance) P-C4' energy: -83.404 flat angles C4'-P-C4' energy: -85.871 flat angles P-C4'-P energy: -59.972 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: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1270.300169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.300169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.300169 (E_RNA) where: Base-Base interactions energy: -840.706 where: short stacking energy: -392.719 Base-Backbone interact. energy: -1.501 local terms energy: -428.093620 where: bonds (distance) C4'-P energy: -73.648 bonds (distance) P-C4' energy: -82.134 flat angles C4'-P-C4' energy: -89.539 flat angles P-C4'-P energy: -57.744 tors. eta vs tors. theta energy: -125.028 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: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1228.244444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.244444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.244444 (E_RNA) where: Base-Base interactions energy: -824.906 where: short stacking energy: -362.026 Base-Backbone interact. energy: -1.634 local terms energy: -401.704563 where: bonds (distance) C4'-P energy: -80.669 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -79.609 flat angles P-C4'-P energy: -65.897 tors. eta vs tors. theta energy: -109.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1152.616546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.616546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.616546 (E_RNA) where: Base-Base interactions energy: -782.542 where: short stacking energy: -335.826 Base-Backbone interact. energy: -1.574 local terms energy: -368.501178 where: bonds (distance) C4'-P energy: -65.157 bonds (distance) P-C4' energy: -77.961 flat angles C4'-P-C4' energy: -76.246 flat angles P-C4'-P energy: -50.868 tors. eta vs tors. theta energy: -98.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1032.897728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.897728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.897728 (E_RNA) where: Base-Base interactions energy: -703.346 where: short stacking energy: -268.561 Base-Backbone interact. energy: 1.804 local terms energy: -331.355776 where: bonds (distance) C4'-P energy: -76.185 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -73.262 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -71.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -821.368893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.368893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.368893 (E_RNA) where: Base-Base interactions energy: -496.184 where: short stacking energy: -253.253 Base-Backbone interact. energy: -3.015 local terms energy: -322.170007 where: bonds (distance) C4'-P energy: -68.949 bonds (distance) P-C4' energy: -75.739 flat angles C4'-P-C4' energy: -74.006 flat angles P-C4'-P energy: -41.944 tors. eta vs tors. theta energy: -61.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -753.404552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.404552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.404552 (E_RNA) where: Base-Base interactions energy: -482.296 where: short stacking energy: -216.746 Base-Backbone interact. energy: 0.647 local terms energy: -271.755381 where: bonds (distance) C4'-P energy: -65.769 bonds (distance) P-C4' energy: -70.535 flat angles C4'-P-C4' energy: -53.848 flat angles P-C4'-P energy: -36.142 tors. eta vs tors. theta energy: -45.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -444.648055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.648055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.648055 (E_RNA) where: Base-Base interactions energy: -210.842 where: short stacking energy: -145.106 Base-Backbone interact. energy: 1.965 local terms energy: -235.771785 where: bonds (distance) C4'-P energy: -66.712 bonds (distance) P-C4' energy: -59.169 flat angles C4'-P-C4' energy: -54.127 flat angles P-C4'-P energy: -41.210 tors. eta vs tors. theta energy: -14.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -385.908782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.908782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.908782 (E_RNA) where: Base-Base interactions energy: -165.762 where: short stacking energy: -95.051 Base-Backbone interact. energy: -1.131 local terms energy: -219.015762 where: bonds (distance) C4'-P energy: -64.745 bonds (distance) P-C4' energy: -65.462 flat angles C4'-P-C4' energy: -63.135 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: 11.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -330.763688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.763688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.763688 (E_RNA) where: Base-Base interactions energy: -138.580 where: short stacking energy: -110.249 Base-Backbone interact. energy: -1.434 local terms energy: -190.748912 where: bonds (distance) C4'-P energy: -60.609 bonds (distance) P-C4' energy: -64.180 flat angles C4'-P-C4' energy: -48.089 flat angles P-C4'-P energy: -13.620 tors. eta vs tors. theta energy: -4.250 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: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1376.000792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.000792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.000792 (E_RNA) where: Base-Base interactions energy: -943.489 where: short stacking energy: -390.321 Base-Backbone interact. energy: -2.627 local terms energy: -429.884880 where: bonds (distance) C4'-P energy: -78.807 bonds (distance) P-C4' energy: -87.492 flat angles C4'-P-C4' energy: -87.449 flat angles P-C4'-P energy: -52.544 tors. eta vs tors. theta energy: -123.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1250.747927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.747927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.747927 (E_RNA) where: Base-Base interactions energy: -833.449 where: short stacking energy: -387.665 Base-Backbone interact. energy: 0.698 local terms energy: -417.997235 where: bonds (distance) C4'-P energy: -81.202 bonds (distance) P-C4' energy: -67.153 flat angles C4'-P-C4' energy: -89.367 flat angles P-C4'-P energy: -60.630 tors. eta vs tors. theta energy: -119.645 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: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1226.689744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.689744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.689744 (E_RNA) where: Base-Base interactions energy: -821.217 where: short stacking energy: -360.399 Base-Backbone interact. energy: -1.390 local terms energy: -404.081882 where: bonds (distance) C4'-P energy: -70.872 bonds (distance) P-C4' energy: -76.852 flat angles C4'-P-C4' energy: -86.654 flat angles P-C4'-P energy: -56.513 tors. eta vs tors. theta energy: -113.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1165.982093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.982093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.982093 (E_RNA) where: Base-Base interactions energy: -765.940 where: short stacking energy: -333.468 Base-Backbone interact. energy: 4.474 local terms energy: -404.515820 where: bonds (distance) C4'-P energy: -77.896 bonds (distance) P-C4' energy: -73.193 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -61.753 tors. eta vs tors. theta energy: -108.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1061.802924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.802924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.802924 (E_RNA) where: Base-Base interactions energy: -698.755 where: short stacking energy: -321.978 Base-Backbone interact. energy: -1.430 local terms energy: -361.617420 where: bonds (distance) C4'-P energy: -79.993 bonds (distance) P-C4' energy: -74.934 flat angles C4'-P-C4' energy: -75.461 flat angles P-C4'-P energy: -37.705 tors. eta vs tors. theta energy: -93.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -779.088447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.088447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.088447 (E_RNA) where: Base-Base interactions energy: -502.598 where: short stacking energy: -229.459 Base-Backbone interact. energy: 1.425 local terms energy: -277.915522 where: bonds (distance) C4'-P energy: -61.670 bonds (distance) P-C4' energy: -75.634 flat angles C4'-P-C4' energy: -65.794 flat angles P-C4'-P energy: -22.362 tors. eta vs tors. theta energy: -52.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -757.896387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.896387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.896387 (E_RNA) where: Base-Base interactions energy: -460.672 where: short stacking energy: -232.847 Base-Backbone interact. energy: -0.948 local terms energy: -296.276415 where: bonds (distance) C4'-P energy: -53.271 bonds (distance) P-C4' energy: -62.779 flat angles C4'-P-C4' energy: -69.804 flat angles P-C4'-P energy: -51.505 tors. eta vs tors. theta energy: -58.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -445.176669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.176669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.176669 (E_RNA) where: Base-Base interactions energy: -223.748 where: short stacking energy: -108.952 Base-Backbone interact. energy: 1.187 local terms energy: -222.614973 where: bonds (distance) C4'-P energy: -69.045 bonds (distance) P-C4' energy: -67.304 flat angles C4'-P-C4' energy: -53.872 flat angles P-C4'-P energy: -35.828 tors. eta vs tors. theta energy: 3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -395.280673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.280673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.280673 (E_RNA) where: Base-Base interactions energy: -195.073 where: short stacking energy: -123.000 Base-Backbone interact. energy: -1.546 local terms energy: -198.661240 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -68.409 flat angles C4'-P-C4' energy: -55.273 flat angles P-C4'-P energy: -26.868 tors. eta vs tors. theta energy: 10.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -297.966733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.966733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.966733 (E_RNA) where: Base-Base interactions energy: -99.894 where: short stacking energy: -81.528 Base-Backbone interact. energy: -1.190 local terms energy: -196.883042 where: bonds (distance) C4'-P energy: -53.131 bonds (distance) P-C4' energy: -73.826 flat angles C4'-P-C4' energy: -52.986 flat angles P-C4'-P energy: -36.776 tors. eta vs tors. theta energy: 19.836 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: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1346.804851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.804851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.804851 (E_RNA) where: Base-Base interactions energy: -931.875 where: short stacking energy: -374.844 Base-Backbone interact. energy: -1.014 local terms energy: -413.915610 where: bonds (distance) C4'-P energy: -74.808 bonds (distance) P-C4' energy: -84.794 flat angles C4'-P-C4' energy: -87.381 flat angles P-C4'-P energy: -55.764 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: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1260.171236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.171236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.171236 (E_RNA) where: Base-Base interactions energy: -852.058 where: short stacking energy: -354.319 Base-Backbone interact. energy: -2.400 local terms energy: -405.712771 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -79.254 flat angles C4'-P-C4' energy: -93.610 flat angles P-C4'-P energy: -51.293 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: 3, replica: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1230.315813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.315813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.315813 (E_RNA) where: Base-Base interactions energy: -831.074 where: short stacking energy: -370.405 Base-Backbone interact. energy: -4.986 local terms energy: -394.255778 where: bonds (distance) C4'-P energy: -80.885 bonds (distance) P-C4' energy: -69.244 flat angles C4'-P-C4' energy: -76.307 flat angles P-C4'-P energy: -57.386 tors. eta vs tors. theta energy: -110.434 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: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1147.101477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.101477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.101477 (E_RNA) where: Base-Base interactions energy: -769.290 where: short stacking energy: -338.824 Base-Backbone interact. energy: -1.445 local terms energy: -376.366587 where: bonds (distance) C4'-P energy: -76.345 bonds (distance) P-C4' energy: -72.529 flat angles C4'-P-C4' energy: -83.910 flat angles P-C4'-P energy: -44.618 tors. eta vs tors. theta energy: -98.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1051.321753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.321753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.321753 (E_RNA) where: Base-Base interactions energy: -707.635 where: short stacking energy: -310.515 Base-Backbone interact. energy: 0.514 local terms energy: -344.201128 where: bonds (distance) C4'-P energy: -63.220 bonds (distance) P-C4' energy: -55.925 flat angles C4'-P-C4' energy: -78.713 flat angles P-C4'-P energy: -51.949 tors. eta vs tors. theta energy: -94.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -778.368894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.368894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.368894 (E_RNA) where: Base-Base interactions energy: -480.128 where: short stacking energy: -213.727 Base-Backbone interact. energy: -1.445 local terms energy: -296.795747 where: bonds (distance) C4'-P energy: -70.778 bonds (distance) P-C4' energy: -77.805 flat angles C4'-P-C4' energy: -65.641 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: -40.203 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: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -752.626714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.626714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.626714 (E_RNA) where: Base-Base interactions energy: -458.392 where: short stacking energy: -212.602 Base-Backbone interact. energy: -3.431 local terms energy: -290.803079 where: bonds (distance) C4'-P energy: -57.263 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -63.633 flat angles P-C4'-P energy: -43.566 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: 8, replica: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -440.695518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.695518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.695518 (E_RNA) where: Base-Base interactions energy: -196.924 where: short stacking energy: -131.241 Base-Backbone interact. energy: -0.258 local terms energy: -243.513504 where: bonds (distance) C4'-P energy: -65.540 bonds (distance) P-C4' energy: -68.629 flat angles C4'-P-C4' energy: -68.358 flat angles P-C4'-P energy: -33.379 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -407.447665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.447665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.447665 (E_RNA) where: Base-Base interactions energy: -183.726 where: short stacking energy: -119.077 Base-Backbone interact. energy: -1.062 local terms energy: -222.659609 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -65.851 flat angles P-C4'-P energy: -31.306 tors. eta vs tors. theta energy: 4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -322.802065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.802065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.802065 (E_RNA) where: Base-Base interactions energy: -108.452 where: short stacking energy: -76.898 Base-Backbone interact. energy: 1.451 local terms energy: -215.801328 where: bonds (distance) C4'-P energy: -63.107 bonds (distance) P-C4' energy: -73.713 flat angles C4'-P-C4' energy: -46.482 flat angles P-C4'-P energy: -44.774 tors. eta vs tors. theta energy: 12.274 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: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1385.511909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.511909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.511909 (E_RNA) where: Base-Base interactions energy: -950.769 where: short stacking energy: -391.241 Base-Backbone interact. energy: -4.160 local terms energy: -430.583029 where: bonds (distance) C4'-P energy: -78.733 bonds (distance) P-C4' energy: -82.552 flat angles C4'-P-C4' energy: -85.844 flat angles P-C4'-P energy: -59.951 tors. eta vs tors. theta energy: -123.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1262.710393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.710393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.710393 (E_RNA) where: Base-Base interactions energy: -846.064 where: short stacking energy: -368.700 Base-Backbone interact. energy: -0.361 local terms energy: -416.285973 where: bonds (distance) C4'-P energy: -76.793 bonds (distance) P-C4' energy: -81.261 flat angles C4'-P-C4' energy: -85.493 flat angles P-C4'-P energy: -53.716 tors. eta vs tors. theta energy: -119.024 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: 454 Temperature: 1.000000 Total energy: -1211.962666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.962666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.962666 (E_RNA) where: Base-Base interactions energy: -813.163 where: short stacking energy: -347.963 Base-Backbone interact. energy: -2.779 local terms energy: -396.020643 where: bonds (distance) C4'-P energy: -68.942 bonds (distance) P-C4' energy: -83.813 flat angles C4'-P-C4' energy: -80.759 flat angles P-C4'-P energy: -55.210 tors. eta vs tors. theta energy: -107.298 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: 454 Temperature: 1.050000 Total energy: -1162.992102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.992102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.992102 (E_RNA) where: Base-Base interactions energy: -787.196 where: short stacking energy: -339.737 Base-Backbone interact. energy: -3.843 local terms energy: -371.952996 where: bonds (distance) C4'-P energy: -71.777 bonds (distance) P-C4' energy: -68.017 flat angles C4'-P-C4' energy: -80.417 flat angles P-C4'-P energy: -50.262 tors. eta vs tors. theta energy: -101.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1064.730209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.730209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.730209 (E_RNA) where: Base-Base interactions energy: -710.856 where: short stacking energy: -275.414 Base-Backbone interact. energy: 2.262 local terms energy: -356.136848 where: bonds (distance) C4'-P energy: -68.691 bonds (distance) P-C4' energy: -65.014 flat angles C4'-P-C4' energy: -82.734 flat angles P-C4'-P energy: -51.475 tors. eta vs tors. theta energy: -88.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -841.805398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.805398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.805398 (E_RNA) where: Base-Base interactions energy: -500.623 where: short stacking energy: -240.493 Base-Backbone interact. energy: -1.162 local terms energy: -340.020363 where: bonds (distance) C4'-P energy: -71.184 bonds (distance) P-C4' energy: -72.916 flat angles C4'-P-C4' energy: -81.063 flat angles P-C4'-P energy: -50.806 tors. eta vs tors. theta energy: -64.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -815.226997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.226997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.226997 (E_RNA) where: Base-Base interactions energy: -515.597 where: short stacking energy: -268.160 Base-Backbone interact. energy: -0.870 local terms energy: -298.760152 where: bonds (distance) C4'-P energy: -70.698 bonds (distance) P-C4' energy: -61.100 flat angles C4'-P-C4' energy: -78.774 flat angles P-C4'-P energy: -27.099 tors. eta vs tors. theta energy: -61.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -476.798033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.798033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.798033 (E_RNA) where: Base-Base interactions energy: -237.808 where: short stacking energy: -139.024 Base-Backbone interact. energy: -1.074 local terms energy: -237.916270 where: bonds (distance) C4'-P energy: -63.060 bonds (distance) P-C4' energy: -71.669 flat angles C4'-P-C4' energy: -38.480 flat angles P-C4'-P energy: -49.756 tors. eta vs tors. theta energy: -14.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -405.712389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.712389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.712389 (E_RNA) where: Base-Base interactions energy: -160.140 where: short stacking energy: -92.875 Base-Backbone interact. energy: 0.237 local terms energy: -245.808510 where: bonds (distance) C4'-P energy: -73.360 bonds (distance) P-C4' energy: -72.253 flat angles C4'-P-C4' energy: -79.897 flat angles P-C4'-P energy: -32.886 tors. eta vs tors. theta energy: 12.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -307.101792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.101792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.101792 (E_RNA) where: Base-Base interactions energy: -91.786 where: short stacking energy: -78.299 Base-Backbone interact. energy: -0.685 local terms energy: -214.630770 where: bonds (distance) C4'-P energy: -55.828 bonds (distance) P-C4' energy: -66.924 flat angles C4'-P-C4' energy: -50.860 flat angles P-C4'-P energy: -40.229 tors. eta vs tors. theta energy: -0.790 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: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1392.967306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.967306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.967306 (E_RNA) where: Base-Base interactions energy: -954.514 where: short stacking energy: -382.921 Base-Backbone interact. energy: -3.286 local terms energy: -435.166643 where: bonds (distance) C4'-P energy: -76.009 bonds (distance) P-C4' energy: -77.936 flat angles C4'-P-C4' energy: -87.300 flat angles P-C4'-P energy: -73.571 tors. eta vs tors. theta energy: -120.350 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: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1225.287435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.287435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.287435 (E_RNA) where: Base-Base interactions energy: -820.545 where: short stacking energy: -377.412 Base-Backbone interact. energy: 0.725 local terms energy: -405.467519 where: bonds (distance) C4'-P energy: -72.250 bonds (distance) P-C4' energy: -79.131 flat angles C4'-P-C4' energy: -92.357 flat angles P-C4'-P energy: -48.572 tors. eta vs tors. theta energy: -113.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1243.855211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.855211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.855211 (E_RNA) where: Base-Base interactions energy: -811.856 where: short stacking energy: -355.835 Base-Backbone interact. energy: -1.210 local terms energy: -430.789227 where: bonds (distance) C4'-P energy: -87.537 bonds (distance) P-C4' energy: -79.351 flat angles C4'-P-C4' energy: -91.025 flat angles P-C4'-P energy: -58.981 tors. eta vs tors. theta energy: -113.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1185.982698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.982698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.982698 (E_RNA) where: Base-Base interactions energy: -799.879 where: short stacking energy: -344.587 Base-Backbone interact. energy: -4.848 local terms energy: -381.255424 where: bonds (distance) C4'-P energy: -69.925 bonds (distance) P-C4' energy: -70.666 flat angles C4'-P-C4' energy: -81.763 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -101.904 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: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1053.185432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.185432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.185432 (E_RNA) where: Base-Base interactions energy: -710.766 where: short stacking energy: -307.398 Base-Backbone interact. energy: -1.043 local terms energy: -341.376394 where: bonds (distance) C4'-P energy: -71.824 bonds (distance) P-C4' energy: -59.895 flat angles C4'-P-C4' energy: -80.069 flat angles P-C4'-P energy: -47.836 tors. eta vs tors. theta energy: -81.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -876.275404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.275404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.275404 (E_RNA) where: Base-Base interactions energy: -548.212 where: short stacking energy: -229.000 Base-Backbone interact. energy: 1.976 local terms energy: -330.038897 where: bonds (distance) C4'-P energy: -71.185 bonds (distance) P-C4' energy: -72.921 flat angles C4'-P-C4' energy: -63.870 flat angles P-C4'-P energy: -61.125 tors. eta vs tors. theta energy: -60.937 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: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -775.200922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.200922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.200922 (E_RNA) where: Base-Base interactions energy: -476.471 where: short stacking energy: -219.184 Base-Backbone interact. energy: -3.126 local terms energy: -295.604118 where: bonds (distance) C4'-P energy: -66.013 bonds (distance) P-C4' energy: -75.806 flat angles C4'-P-C4' energy: -63.813 flat angles P-C4'-P energy: -42.602 tors. eta vs tors. theta energy: -47.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -485.636157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.636157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.636157 (E_RNA) where: Base-Base interactions energy: -231.749 where: short stacking energy: -133.691 Base-Backbone interact. energy: -0.994 local terms energy: -252.893786 where: bonds (distance) C4'-P energy: -75.905 bonds (distance) P-C4' energy: -68.458 flat angles C4'-P-C4' energy: -59.909 flat angles P-C4'-P energy: -36.193 tors. eta vs tors. theta energy: -12.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -345.214460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.214460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.214460 (E_RNA) where: Base-Base interactions energy: -121.284 where: short stacking energy: -83.990 Base-Backbone interact. energy: -0.937 local terms energy: -222.993145 where: bonds (distance) C4'-P energy: -76.167 bonds (distance) P-C4' energy: -65.098 flat angles C4'-P-C4' energy: -52.494 flat angles P-C4'-P energy: -38.382 tors. eta vs tors. theta energy: 9.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -330.731617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.731617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.731617 (E_RNA) where: Base-Base interactions energy: -150.155 where: short stacking energy: -125.825 Base-Backbone interact. energy: 3.696 local terms energy: -184.272630 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -57.650 flat angles C4'-P-C4' energy: -51.609 flat angles P-C4'-P energy: -14.333 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1368.194370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.194370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.194370 (E_RNA) where: Base-Base interactions energy: -939.577 where: short stacking energy: -402.780 Base-Backbone interact. energy: -0.519 local terms energy: -428.097614 where: bonds (distance) C4'-P energy: -76.018 bonds (distance) P-C4' energy: -78.394 flat angles C4'-P-C4' energy: -87.504 flat angles P-C4'-P energy: -61.573 tors. eta vs tors. theta energy: -124.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1258.573760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.573760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.573760 (E_RNA) where: Base-Base interactions energy: -852.997 where: short stacking energy: -371.509 Base-Backbone interact. energy: -2.480 local terms energy: -403.097371 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -76.966 flat angles C4'-P-C4' energy: -80.676 flat angles P-C4'-P energy: -65.440 tors. eta vs tors. theta energy: -111.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1203.416143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.416143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.416143 (E_RNA) where: Base-Base interactions energy: -799.634 where: short stacking energy: -361.356 Base-Backbone interact. energy: -1.629 local terms energy: -402.153475 where: bonds (distance) C4'-P energy: -77.561 bonds (distance) P-C4' energy: -81.870 flat angles C4'-P-C4' energy: -90.596 flat angles P-C4'-P energy: -44.618 tors. eta vs tors. theta energy: -107.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1166.534207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.534207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.534207 (E_RNA) where: Base-Base interactions energy: -771.131 where: short stacking energy: -336.215 Base-Backbone interact. energy: 1.830 local terms energy: -397.232278 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -72.565 flat angles C4'-P-C4' energy: -83.969 flat angles P-C4'-P energy: -59.758 tors. eta vs tors. theta energy: -107.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1087.110328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.110328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.110328 (E_RNA) where: Base-Base interactions energy: -716.396 where: short stacking energy: -314.592 Base-Backbone interact. energy: -1.786 local terms energy: -368.928083 where: bonds (distance) C4'-P energy: -74.344 bonds (distance) P-C4' energy: -67.825 flat angles C4'-P-C4' energy: -87.466 flat angles P-C4'-P energy: -47.953 tors. eta vs tors. theta energy: -91.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -845.761140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.761140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.761140 (E_RNA) where: Base-Base interactions energy: -553.438 where: short stacking energy: -255.118 Base-Backbone interact. energy: 0.163 local terms energy: -292.485940 where: bonds (distance) C4'-P energy: -75.363 bonds (distance) P-C4' energy: -56.048 flat angles C4'-P-C4' energy: -64.022 flat angles P-C4'-P energy: -34.176 tors. eta vs tors. theta energy: -62.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -820.771936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.771936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.771936 (E_RNA) where: Base-Base interactions energy: -519.365 where: short stacking energy: -243.160 Base-Backbone interact. energy: -2.832 local terms energy: -298.574447 where: bonds (distance) C4'-P energy: -68.877 bonds (distance) P-C4' energy: -75.967 flat angles C4'-P-C4' energy: -60.507 flat angles P-C4'-P energy: -47.931 tors. eta vs tors. theta energy: -45.293 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: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -459.022217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.022217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.022217 (E_RNA) where: Base-Base interactions energy: -231.937 where: short stacking energy: -133.925 Base-Backbone interact. energy: 2.701 local terms energy: -229.786068 where: bonds (distance) C4'-P energy: -64.724 bonds (distance) P-C4' energy: -78.414 flat angles C4'-P-C4' energy: -57.454 flat angles P-C4'-P energy: -21.373 tors. eta vs tors. theta energy: -7.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -367.614873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.614873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.614873 (E_RNA) where: Base-Base interactions energy: -142.525 where: short stacking energy: -98.376 Base-Backbone interact. energy: -1.699 local terms energy: -223.390611 where: bonds (distance) C4'-P energy: -69.389 bonds (distance) P-C4' energy: -74.642 flat angles C4'-P-C4' energy: -55.934 flat angles P-C4'-P energy: -23.686 tors. eta vs tors. theta energy: 0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -317.718500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.718500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.718500 (E_RNA) where: Base-Base interactions energy: -122.536 where: short stacking energy: -75.410 Base-Backbone interact. energy: 0.901 local terms energy: -196.083120 where: bonds (distance) C4'-P energy: -64.219 bonds (distance) P-C4' energy: -61.537 flat angles C4'-P-C4' energy: -52.766 flat angles P-C4'-P energy: -31.203 tors. eta vs tors. theta energy: 13.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1390.247885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.247885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.247885 (E_RNA) where: Base-Base interactions energy: -967.939 where: short stacking energy: -404.241 Base-Backbone interact. energy: 0.073 local terms energy: -422.381808 where: bonds (distance) C4'-P energy: -71.729 bonds (distance) P-C4' energy: -76.469 flat angles C4'-P-C4' energy: -87.726 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: -115.916 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: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1290.159598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.159598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.159598 (E_RNA) where: Base-Base interactions energy: -865.571 where: short stacking energy: -383.654 Base-Backbone interact. energy: 0.217 local terms energy: -424.805905 where: bonds (distance) C4'-P energy: -75.177 bonds (distance) P-C4' energy: -72.908 flat angles C4'-P-C4' energy: -90.466 flat angles P-C4'-P energy: -62.697 tors. eta vs tors. theta energy: -123.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1184.621336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.621336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.621336 (E_RNA) where: Base-Base interactions energy: -795.481 where: short stacking energy: -347.991 Base-Backbone interact. energy: -0.139 local terms energy: -389.001929 where: bonds (distance) C4'-P energy: -61.968 bonds (distance) P-C4' energy: -69.101 flat angles C4'-P-C4' energy: -88.942 flat angles P-C4'-P energy: -58.261 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: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1165.159605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.159605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.159605 (E_RNA) where: Base-Base interactions energy: -774.627 where: short stacking energy: -345.348 Base-Backbone interact. energy: -1.673 local terms energy: -388.860271 where: bonds (distance) C4'-P energy: -78.844 bonds (distance) P-C4' energy: -77.978 flat angles C4'-P-C4' energy: -73.804 flat angles P-C4'-P energy: -49.176 tors. eta vs tors. theta energy: -109.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1075.357044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.357044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.357044 (E_RNA) where: Base-Base interactions energy: -730.807 where: short stacking energy: -313.183 Base-Backbone interact. energy: 0.054 local terms energy: -344.604472 where: bonds (distance) C4'-P energy: -59.331 bonds (distance) P-C4' energy: -71.338 flat angles C4'-P-C4' energy: -76.428 flat angles P-C4'-P energy: -54.091 tors. eta vs tors. theta energy: -83.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -843.833162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.833162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.833162 (E_RNA) where: Base-Base interactions energy: -528.072 where: short stacking energy: -230.785 Base-Backbone interact. energy: -1.122 local terms energy: -314.639732 where: bonds (distance) C4'-P energy: -77.127 bonds (distance) P-C4' energy: -75.117 flat angles C4'-P-C4' energy: -70.208 flat angles P-C4'-P energy: -45.095 tors. eta vs tors. theta energy: -47.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -780.579159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.579159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.579159 (E_RNA) where: Base-Base interactions energy: -463.330 where: short stacking energy: -208.089 Base-Backbone interact. energy: -0.945 local terms energy: -316.303739 where: bonds (distance) C4'-P energy: -81.964 bonds (distance) P-C4' energy: -84.129 flat angles C4'-P-C4' energy: -68.778 flat angles P-C4'-P energy: -42.187 tors. eta vs tors. theta energy: -39.246 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: 457 Temperature: 1.250000 Total energy: -459.502056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.502056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.502056 (E_RNA) where: Base-Base interactions energy: -233.769 where: short stacking energy: -123.801 Base-Backbone interact. energy: -1.462 local terms energy: -224.270546 where: bonds (distance) C4'-P energy: -71.368 bonds (distance) P-C4' energy: -72.213 flat angles C4'-P-C4' energy: -48.324 flat angles P-C4'-P energy: -34.181 tors. eta vs tors. theta energy: 1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -361.014876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.014876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.014876 (E_RNA) where: Base-Base interactions energy: -149.128 where: short stacking energy: -128.616 Base-Backbone interact. energy: 0.907 local terms energy: -212.792938 where: bonds (distance) C4'-P energy: -57.294 bonds (distance) P-C4' energy: -72.401 flat angles C4'-P-C4' energy: -49.760 flat angles P-C4'-P energy: -33.512 tors. eta vs tors. theta energy: 0.174 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: 457 Temperature: 1.350000 Total energy: -316.716103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.716103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.716103 (E_RNA) where: Base-Base interactions energy: -123.521 where: short stacking energy: -92.257 Base-Backbone interact. energy: -1.426 local terms energy: -191.769374 where: bonds (distance) C4'-P energy: -62.322 bonds (distance) P-C4' energy: -61.318 flat angles C4'-P-C4' energy: -51.476 flat angles P-C4'-P energy: -22.724 tors. eta vs tors. theta energy: 6.071 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: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1392.996939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.996939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.996939 (E_RNA) where: Base-Base interactions energy: -954.407 where: short stacking energy: -410.472 Base-Backbone interact. energy: -3.360 local terms energy: -435.230639 where: bonds (distance) C4'-P energy: -82.386 bonds (distance) P-C4' energy: -75.851 flat angles C4'-P-C4' energy: -94.579 flat angles P-C4'-P energy: -60.028 tors. eta vs tors. theta energy: -122.388 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: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1254.207870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.207870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.207870 (E_RNA) where: Base-Base interactions energy: -839.044 where: short stacking energy: -377.572 Base-Backbone interact. energy: -2.543 local terms energy: -412.620599 where: bonds (distance) C4'-P energy: -76.751 bonds (distance) P-C4' energy: -84.519 flat angles C4'-P-C4' energy: -89.061 flat angles P-C4'-P energy: -51.912 tors. eta vs tors. theta energy: -110.378 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: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1231.787085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.787085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.787085 (E_RNA) where: Base-Base interactions energy: -820.493 where: short stacking energy: -344.654 Base-Backbone interact. energy: -2.771 local terms energy: -408.522800 where: bonds (distance) C4'-P energy: -73.395 bonds (distance) P-C4' energy: -71.142 flat angles C4'-P-C4' energy: -93.877 flat angles P-C4'-P energy: -54.076 tors. eta vs tors. theta energy: -116.033 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: 10 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1135.819081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.819081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.819081 (E_RNA) where: Base-Base interactions energy: -734.171 where: short stacking energy: -325.326 Base-Backbone interact. energy: -0.968 local terms energy: -400.679969 where: bonds (distance) C4'-P energy: -76.940 bonds (distance) P-C4' energy: -71.454 flat angles C4'-P-C4' energy: -90.178 flat angles P-C4'-P energy: -57.383 tors. eta vs tors. theta energy: -104.725 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: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1086.415659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.415659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.415659 (E_RNA) where: Base-Base interactions energy: -710.510 where: short stacking energy: -312.342 Base-Backbone interact. energy: -0.691 local terms energy: -375.215278 where: bonds (distance) C4'-P energy: -66.147 bonds (distance) P-C4' energy: -77.432 flat angles C4'-P-C4' energy: -88.094 flat angles P-C4'-P energy: -49.590 tors. eta vs tors. theta energy: -93.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -901.401007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.401007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.401007 (E_RNA) where: Base-Base interactions energy: -571.329 where: short stacking energy: -257.061 Base-Backbone interact. energy: -1.287 local terms energy: -328.784884 where: bonds (distance) C4'-P energy: -64.020 bonds (distance) P-C4' energy: -79.595 flat angles C4'-P-C4' energy: -64.439 flat angles P-C4'-P energy: -51.318 tors. eta vs tors. theta energy: -69.413 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: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -842.144021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.144021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.144021 (E_RNA) where: Base-Base interactions energy: -524.072 where: short stacking energy: -267.184 Base-Backbone interact. energy: -0.083 local terms energy: -317.989833 where: bonds (distance) C4'-P energy: -64.322 bonds (distance) P-C4' energy: -69.903 flat angles C4'-P-C4' energy: -78.058 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -61.101 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: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -484.490022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.490022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.490022 (E_RNA) where: Base-Base interactions energy: -240.884 where: short stacking energy: -136.678 Base-Backbone interact. energy: -1.129 local terms energy: -242.477194 where: bonds (distance) C4'-P energy: -62.040 bonds (distance) P-C4' energy: -70.388 flat angles C4'-P-C4' energy: -65.472 flat angles P-C4'-P energy: -33.712 tors. eta vs tors. theta energy: -10.866 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: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -330.807832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.807832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.807832 (E_RNA) where: Base-Base interactions energy: -132.976 where: short stacking energy: -93.541 Base-Backbone interact. energy: 0.279 local terms energy: -198.110972 where: bonds (distance) C4'-P energy: -71.252 bonds (distance) P-C4' energy: -64.522 flat angles C4'-P-C4' energy: -45.101 flat angles P-C4'-P energy: -31.677 tors. eta vs tors. theta energy: 14.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -310.948912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.948912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.948912 (E_RNA) where: Base-Base interactions energy: -97.507 where: short stacking energy: -68.494 Base-Backbone interact. energy: 0.595 local terms energy: -214.037545 where: bonds (distance) C4'-P energy: -70.963 bonds (distance) P-C4' energy: -67.269 flat angles C4'-P-C4' energy: -53.873 flat angles P-C4'-P energy: -49.492 tors. eta vs tors. theta energy: 27.559 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: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1369.681848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.681848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.681848 (E_RNA) where: Base-Base interactions energy: -933.359 where: short stacking energy: -404.416 Base-Backbone interact. energy: -1.166 local terms energy: -435.157289 where: bonds (distance) C4'-P energy: -86.101 bonds (distance) P-C4' energy: -81.844 flat angles C4'-P-C4' energy: -89.138 flat angles P-C4'-P energy: -58.497 tors. eta vs tors. theta energy: -119.577 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: 459 Temperature: 0.950000 Total energy: -1247.745921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.745921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.745921 (E_RNA) where: Base-Base interactions energy: -827.371 where: short stacking energy: -363.686 Base-Backbone interact. energy: -2.318 local terms energy: -418.056189 where: bonds (distance) C4'-P energy: -70.492 bonds (distance) P-C4' energy: -83.978 flat angles C4'-P-C4' energy: -87.320 flat angles P-C4'-P energy: -59.183 tors. eta vs tors. theta energy: -117.083 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: 459 Temperature: 1.000000 Total energy: -1207.123591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.123591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.123591 (E_RNA) where: Base-Base interactions energy: -802.901 where: short stacking energy: -368.711 Base-Backbone interact. energy: -1.349 local terms energy: -402.873454 where: bonds (distance) C4'-P energy: -73.791 bonds (distance) P-C4' energy: -71.692 flat angles C4'-P-C4' energy: -84.613 flat angles P-C4'-P energy: -62.560 tors. eta vs tors. theta energy: -110.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1122.635355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.635355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.635355 (E_RNA) where: Base-Base interactions energy: -750.287 where: short stacking energy: -320.559 Base-Backbone interact. energy: -0.024 local terms energy: -372.323748 where: bonds (distance) C4'-P energy: -75.487 bonds (distance) P-C4' energy: -84.003 flat angles C4'-P-C4' energy: -75.644 flat angles P-C4'-P energy: -38.512 tors. eta vs tors. theta energy: -98.677 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: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1075.226604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.226604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.226604 (E_RNA) where: Base-Base interactions energy: -710.476 where: short stacking energy: -299.602 Base-Backbone interact. energy: -0.213 local terms energy: -364.537130 where: bonds (distance) C4'-P energy: -77.764 bonds (distance) P-C4' energy: -79.807 flat angles C4'-P-C4' energy: -79.412 flat angles P-C4'-P energy: -35.904 tors. eta vs tors. theta energy: -91.651 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: 6, replica: 9 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -833.640202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.640202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.640202 (E_RNA) where: Base-Base interactions energy: -523.060 where: short stacking energy: -237.094 Base-Backbone interact. energy: 0.993 local terms energy: -311.572674 where: bonds (distance) C4'-P energy: -70.021 bonds (distance) P-C4' energy: -66.282 flat angles C4'-P-C4' energy: -74.816 flat angles P-C4'-P energy: -38.895 tors. eta vs tors. theta energy: -61.557 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: 7, replica: 7 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -825.443011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.443011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.443011 (E_RNA) where: Base-Base interactions energy: -515.432 where: short stacking energy: -224.507 Base-Backbone interact. energy: 1.521 local terms energy: -311.532276 where: bonds (distance) C4'-P energy: -60.476 bonds (distance) P-C4' energy: -76.077 flat angles C4'-P-C4' energy: -76.098 flat angles P-C4'-P energy: -51.900 tors. eta vs tors. theta energy: -46.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -536.075388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.075388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.075388 (E_RNA) where: Base-Base interactions energy: -293.735 where: short stacking energy: -155.506 Base-Backbone interact. energy: 0.962 local terms energy: -243.302843 where: bonds (distance) C4'-P energy: -66.074 bonds (distance) P-C4' energy: -73.106 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -22.213 tors. eta vs tors. theta energy: -12.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -331.512219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.512219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.512219 (E_RNA) where: Base-Base interactions energy: -112.180 where: short stacking energy: -82.612 Base-Backbone interact. energy: -1.699 local terms energy: -217.632782 where: bonds (distance) C4'-P energy: -59.956 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -59.443 flat angles P-C4'-P energy: -36.699 tors. eta vs tors. theta energy: 4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -342.468927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.468927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.468927 (E_RNA) where: Base-Base interactions energy: -126.883 where: short stacking energy: -85.160 Base-Backbone interact. energy: 4.587 local terms energy: -220.173054 where: bonds (distance) C4'-P energy: -58.902 bonds (distance) P-C4' energy: -81.067 flat angles C4'-P-C4' energy: -53.501 flat angles P-C4'-P energy: -31.336 tors. eta vs tors. theta energy: 4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1296.736094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.736094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.736094 (E_RNA) where: Base-Base interactions energy: -863.910 where: short stacking energy: -389.505 Base-Backbone interact. energy: -2.314 local terms energy: -430.512117 where: bonds (distance) C4'-P energy: -83.057 bonds (distance) P-C4' energy: -77.400 flat angles C4'-P-C4' energy: -90.595 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: -121.298 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: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1311.274983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.274983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.274983 (E_RNA) where: Base-Base interactions energy: -898.607 where: short stacking energy: -387.827 Base-Backbone interact. energy: -1.115 local terms energy: -411.552792 where: bonds (distance) C4'-P energy: -71.704 bonds (distance) P-C4' energy: -68.614 flat angles C4'-P-C4' energy: -95.814 flat angles P-C4'-P energy: -61.143 tors. eta vs tors. theta energy: -114.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1214.905546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.905546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.905546 (E_RNA) where: Base-Base interactions energy: -828.715 where: short stacking energy: -382.854 Base-Backbone interact. energy: -0.745 local terms energy: -385.444815 where: bonds (distance) C4'-P energy: -73.853 bonds (distance) P-C4' energy: -65.399 flat angles C4'-P-C4' energy: -82.829 flat angles P-C4'-P energy: -51.644 tors. eta vs tors. theta energy: -111.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1153.251862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.251862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.251862 (E_RNA) where: Base-Base interactions energy: -766.330 where: short stacking energy: -345.036 Base-Backbone interact. energy: -1.725 local terms energy: -385.196678 where: bonds (distance) C4'-P energy: -73.276 bonds (distance) P-C4' energy: -71.888 flat angles C4'-P-C4' energy: -78.365 flat angles P-C4'-P energy: -51.242 tors. eta vs tors. theta energy: -110.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1081.471326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.471326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.471326 (E_RNA) where: Base-Base interactions energy: -707.414 where: short stacking energy: -311.411 Base-Backbone interact. energy: -0.592 local terms energy: -373.465901 where: bonds (distance) C4'-P energy: -79.153 bonds (distance) P-C4' energy: -78.828 flat angles C4'-P-C4' energy: -80.889 flat angles P-C4'-P energy: -42.168 tors. eta vs tors. theta energy: -92.428 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: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -886.835837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.835837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.835837 (E_RNA) where: Base-Base interactions energy: -552.535 where: short stacking energy: -265.120 Base-Backbone interact. energy: -0.638 local terms energy: -333.662208 where: bonds (distance) C4'-P energy: -73.876 bonds (distance) P-C4' energy: -52.775 flat angles C4'-P-C4' energy: -70.696 flat angles P-C4'-P energy: -56.624 tors. eta vs tors. theta energy: -79.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -823.670363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.670363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.670363 (E_RNA) where: Base-Base interactions energy: -539.797 where: short stacking energy: -237.872 Base-Backbone interact. energy: 2.936 local terms energy: -286.808806 where: bonds (distance) C4'-P energy: -74.555 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -60.189 flat angles P-C4'-P energy: -31.725 tors. eta vs tors. theta energy: -52.079 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: 460 Temperature: 1.250000 Total energy: -506.765631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.765631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.765631 (E_RNA) where: Base-Base interactions energy: -253.801 where: short stacking energy: -133.891 Base-Backbone interact. energy: -1.803 local terms energy: -251.160948 where: bonds (distance) C4'-P energy: -76.298 bonds (distance) P-C4' energy: -70.753 flat angles C4'-P-C4' energy: -63.684 flat angles P-C4'-P energy: -32.411 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -327.729392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.729392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.729392 (E_RNA) where: Base-Base interactions energy: -128.094 where: short stacking energy: -82.093 Base-Backbone interact. energy: 0.918 local terms energy: -200.553495 where: bonds (distance) C4'-P energy: -61.152 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -59.133 flat angles P-C4'-P energy: -30.152 tors. eta vs tors. theta energy: 12.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -316.829344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.829344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.829344 (E_RNA) where: Base-Base interactions energy: -107.025 where: short stacking energy: -85.923 Base-Backbone interact. energy: 0.215 local terms energy: -210.019977 where: bonds (distance) C4'-P energy: -67.765 bonds (distance) P-C4' energy: -60.098 flat angles C4'-P-C4' energy: -65.495 flat angles P-C4'-P energy: -22.183 tors. eta vs tors. theta energy: 5.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1296.962823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.962823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.962823 (E_RNA) where: Base-Base interactions energy: -860.668 where: short stacking energy: -387.162 Base-Backbone interact. energy: -0.566 local terms energy: -435.729183 where: bonds (distance) C4'-P energy: -88.129 bonds (distance) P-C4' energy: -72.034 flat angles C4'-P-C4' energy: -87.772 flat angles P-C4'-P energy: -64.982 tors. eta vs tors. theta energy: -122.812 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: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1312.357232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.357232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.357232 (E_RNA) where: Base-Base interactions energy: -903.871 where: short stacking energy: -371.595 Base-Backbone interact. energy: -2.872 local terms energy: -405.614222 where: bonds (distance) C4'-P energy: -70.336 bonds (distance) P-C4' energy: -68.866 flat angles C4'-P-C4' energy: -90.887 flat angles P-C4'-P energy: -61.118 tors. eta vs tors. theta energy: -114.407 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: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1202.627593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.627593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.627593 (E_RNA) where: Base-Base interactions energy: -803.983 where: short stacking energy: -355.825 Base-Backbone interact. energy: 3.483 local terms energy: -402.127755 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -79.104 flat angles C4'-P-C4' energy: -78.435 flat angles P-C4'-P energy: -55.101 tors. eta vs tors. theta energy: -116.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1123.900789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.900789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.900789 (E_RNA) where: Base-Base interactions energy: -746.882 where: short stacking energy: -323.428 Base-Backbone interact. energy: -0.152 local terms energy: -376.866508 where: bonds (distance) C4'-P energy: -80.095 bonds (distance) P-C4' energy: -76.430 flat angles C4'-P-C4' energy: -71.124 flat angles P-C4'-P energy: -57.652 tors. eta vs tors. theta energy: -91.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1053.607723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.607723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.607723 (E_RNA) where: Base-Base interactions energy: -698.093 where: short stacking energy: -294.254 Base-Backbone interact. energy: -1.537 local terms energy: -353.977526 where: bonds (distance) C4'-P energy: -70.276 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -69.086 flat angles P-C4'-P energy: -60.627 tors. eta vs tors. theta energy: -86.574 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: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -864.078744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.078744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.078744 (E_RNA) where: Base-Base interactions energy: -575.721 where: short stacking energy: -224.390 Base-Backbone interact. energy: -0.696 local terms energy: -287.661147 where: bonds (distance) C4'-P energy: -52.660 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -72.829 flat angles P-C4'-P energy: -48.608 tors. eta vs tors. theta energy: -46.348 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: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -838.864123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.864123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.864123 (E_RNA) where: Base-Base interactions energy: -506.122 where: short stacking energy: -248.213 Base-Backbone interact. energy: -1.194 local terms energy: -331.548323 where: bonds (distance) C4'-P energy: -67.617 bonds (distance) P-C4' energy: -78.955 flat angles C4'-P-C4' energy: -75.189 flat angles P-C4'-P energy: -46.946 tors. eta vs tors. theta energy: -62.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -463.139503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.139503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.139503 (E_RNA) where: Base-Base interactions energy: -233.576 where: short stacking energy: -132.924 Base-Backbone interact. energy: 1.255 local terms energy: -230.818295 where: bonds (distance) C4'-P energy: -67.652 bonds (distance) P-C4' energy: -54.264 flat angles C4'-P-C4' energy: -62.382 flat angles P-C4'-P energy: -35.418 tors. eta vs tors. theta energy: -11.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -347.565623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.565623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.565623 (E_RNA) where: Base-Base interactions energy: -122.786 where: short stacking energy: -86.431 Base-Backbone interact. energy: 1.112 local terms energy: -225.891008 where: bonds (distance) C4'-P energy: -53.825 bonds (distance) P-C4' energy: -75.775 flat angles C4'-P-C4' energy: -79.332 flat angles P-C4'-P energy: -28.835 tors. eta vs tors. theta energy: 11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -320.869872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.869872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.869872 (E_RNA) where: Base-Base interactions energy: -111.600 where: short stacking energy: -77.886 Base-Backbone interact. energy: -1.009 local terms energy: -208.260590 where: bonds (distance) C4'-P energy: -60.640 bonds (distance) P-C4' energy: -73.030 flat angles C4'-P-C4' energy: -46.205 flat angles P-C4'-P energy: -35.030 tors. eta vs tors. theta energy: 6.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1382.888395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.888395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.888395 (E_RNA) where: Base-Base interactions energy: -956.866 where: short stacking energy: -409.529 Base-Backbone interact. energy: -3.918 local terms energy: -422.105145 where: bonds (distance) C4'-P energy: -79.581 bonds (distance) P-C4' energy: -71.988 flat angles C4'-P-C4' energy: -92.865 flat angles P-C4'-P energy: -58.433 tors. eta vs tors. theta energy: -119.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1292.741625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.741625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.741625 (E_RNA) where: Base-Base interactions energy: -864.370 where: short stacking energy: -382.011 Base-Backbone interact. energy: -2.128 local terms energy: -426.244229 where: bonds (distance) C4'-P energy: -79.703 bonds (distance) P-C4' energy: -81.470 flat angles C4'-P-C4' energy: -95.912 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: -113.214 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: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1177.782087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.782087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.782087 (E_RNA) where: Base-Base interactions energy: -777.552 where: short stacking energy: -356.419 Base-Backbone interact. energy: -0.334 local terms energy: -399.896180 where: bonds (distance) C4'-P energy: -79.177 bonds (distance) P-C4' energy: -73.329 flat angles C4'-P-C4' energy: -91.428 flat angles P-C4'-P energy: -48.958 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: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1125.501618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.501618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.501618 (E_RNA) where: Base-Base interactions energy: -760.064 where: short stacking energy: -344.515 Base-Backbone interact. energy: -1.657 local terms energy: -363.779939 where: bonds (distance) C4'-P energy: -43.496 bonds (distance) P-C4' energy: -75.133 flat angles C4'-P-C4' energy: -87.865 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -96.813 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: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1088.500764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.500764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.500764 (E_RNA) where: Base-Base interactions energy: -720.538 where: short stacking energy: -335.110 Base-Backbone interact. energy: -0.564 local terms energy: -367.398914 where: bonds (distance) C4'-P energy: -62.223 bonds (distance) P-C4' energy: -73.912 flat angles C4'-P-C4' energy: -79.424 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -101.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -861.073989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.073989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.073989 (E_RNA) where: Base-Base interactions energy: -533.719 where: short stacking energy: -251.658 Base-Backbone interact. energy: -2.378 local terms energy: -324.977210 where: bonds (distance) C4'-P energy: -74.740 bonds (distance) P-C4' energy: -74.369 flat angles C4'-P-C4' energy: -67.354 flat angles P-C4'-P energy: -44.000 tors. eta vs tors. theta energy: -64.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -863.302996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.302996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.302996 (E_RNA) where: Base-Base interactions energy: -547.672 where: short stacking energy: -247.837 Base-Backbone interact. energy: -1.050 local terms energy: -314.581173 where: bonds (distance) C4'-P energy: -65.389 bonds (distance) P-C4' energy: -70.718 flat angles C4'-P-C4' energy: -64.945 flat angles P-C4'-P energy: -55.181 tors. eta vs tors. theta energy: -58.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -450.361656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.361656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.361656 (E_RNA) where: Base-Base interactions energy: -199.743 where: short stacking energy: -127.938 Base-Backbone interact. energy: -0.254 local terms energy: -250.364822 where: bonds (distance) C4'-P energy: -53.455 bonds (distance) P-C4' energy: -77.030 flat angles C4'-P-C4' energy: -70.809 flat angles P-C4'-P energy: -31.550 tors. eta vs tors. theta energy: -17.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -336.515534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.515534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.515534 (E_RNA) where: Base-Base interactions energy: -107.974 where: short stacking energy: -96.788 Base-Backbone interact. energy: 2.104 local terms energy: -230.646159 where: bonds (distance) C4'-P energy: -62.597 bonds (distance) P-C4' energy: -76.872 flat angles C4'-P-C4' energy: -68.128 flat angles P-C4'-P energy: -20.733 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -316.469291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.469291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.469291 (E_RNA) where: Base-Base interactions energy: -120.816 where: short stacking energy: -89.060 Base-Backbone interact. energy: 5.041 local terms energy: -200.695201 where: bonds (distance) C4'-P energy: -59.873 bonds (distance) P-C4' energy: -70.855 flat angles C4'-P-C4' energy: -48.540 flat angles P-C4'-P energy: -24.404 tors. eta vs tors. theta energy: 2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1358.630684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.630684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.630684 (E_RNA) where: Base-Base interactions energy: -925.343 where: short stacking energy: -394.710 Base-Backbone interact. energy: -3.563 local terms energy: -429.724387 where: bonds (distance) C4'-P energy: -76.808 bonds (distance) P-C4' energy: -78.501 flat angles C4'-P-C4' energy: -87.115 flat angles P-C4'-P energy: -65.342 tors. eta vs tors. theta energy: -121.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1260.615437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.615437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.615437 (E_RNA) where: Base-Base interactions energy: -849.749 where: short stacking energy: -377.456 Base-Backbone interact. energy: -3.590 local terms energy: -407.276677 where: bonds (distance) C4'-P energy: -65.513 bonds (distance) P-C4' energy: -78.758 flat angles C4'-P-C4' energy: -87.726 flat angles P-C4'-P energy: -65.718 tors. eta vs tors. theta energy: -109.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1195.380908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.380908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.380908 (E_RNA) where: Base-Base interactions energy: -806.652 where: short stacking energy: -365.162 Base-Backbone interact. energy: -2.792 local terms energy: -385.937498 where: bonds (distance) C4'-P energy: -68.900 bonds (distance) P-C4' energy: -62.180 flat angles C4'-P-C4' energy: -85.689 flat angles P-C4'-P energy: -54.329 tors. eta vs tors. theta energy: -114.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1084.437663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.437663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.437663 (E_RNA) where: Base-Base interactions energy: -726.613 where: short stacking energy: -302.630 Base-Backbone interact. energy: -2.569 local terms energy: -355.256323 where: bonds (distance) C4'-P energy: -59.500 bonds (distance) P-C4' energy: -74.331 flat angles C4'-P-C4' energy: -79.139 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: -91.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1124.311279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.311279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.311279 (E_RNA) where: Base-Base interactions energy: -758.997 where: short stacking energy: -343.638 Base-Backbone interact. energy: 0.759 local terms energy: -366.073301 where: bonds (distance) C4'-P energy: -63.474 bonds (distance) P-C4' energy: -61.656 flat angles C4'-P-C4' energy: -79.747 flat angles P-C4'-P energy: -54.184 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: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -898.730846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.730846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.730846 (E_RNA) where: Base-Base interactions energy: -588.445 where: short stacking energy: -247.160 Base-Backbone interact. energy: -2.030 local terms energy: -308.255115 where: bonds (distance) C4'-P energy: -67.245 bonds (distance) P-C4' energy: -79.881 flat angles C4'-P-C4' energy: -76.393 flat angles P-C4'-P energy: -27.524 tors. eta vs tors. theta energy: -57.211 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: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -850.515602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.515602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.515602 (E_RNA) where: Base-Base interactions energy: -542.649 where: short stacking energy: -258.042 Base-Backbone interact. energy: -1.371 local terms energy: -306.495168 where: bonds (distance) C4'-P energy: -65.047 bonds (distance) P-C4' energy: -67.132 flat angles C4'-P-C4' energy: -82.226 flat angles P-C4'-P energy: -32.311 tors. eta vs tors. theta energy: -59.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -495.377829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.377829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.377829 (E_RNA) where: Base-Base interactions energy: -240.672 where: short stacking energy: -148.339 Base-Backbone interact. energy: -1.513 local terms energy: -253.193021 where: bonds (distance) C4'-P energy: -61.654 bonds (distance) P-C4' energy: -62.695 flat angles C4'-P-C4' energy: -67.167 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: -17.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -348.171695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.171695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.171695 (E_RNA) where: Base-Base interactions energy: -153.527 where: short stacking energy: -97.856 Base-Backbone interact. energy: 0.514 local terms energy: -195.158217 where: bonds (distance) C4'-P energy: -63.828 bonds (distance) P-C4' energy: -68.403 flat angles C4'-P-C4' energy: -46.883 flat angles P-C4'-P energy: -30.119 tors. eta vs tors. theta energy: 14.075 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: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -325.428167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.428167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.428167 (E_RNA) where: Base-Base interactions energy: -125.045 where: short stacking energy: -85.191 Base-Backbone interact. energy: -2.514 local terms energy: -197.869165 where: bonds (distance) C4'-P energy: -64.116 bonds (distance) P-C4' energy: -63.513 flat angles C4'-P-C4' energy: -51.041 flat angles P-C4'-P energy: -27.175 tors. eta vs tors. theta energy: 7.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1352.247309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.247309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.247309 (E_RNA) where: Base-Base interactions energy: -916.092 where: short stacking energy: -397.059 Base-Backbone interact. energy: -0.640 local terms energy: -435.514401 where: bonds (distance) C4'-P energy: -87.618 bonds (distance) P-C4' energy: -77.409 flat angles C4'-P-C4' energy: -93.592 flat angles P-C4'-P energy: -57.143 tors. eta vs tors. theta energy: -119.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1264.638364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.638364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.638364 (E_RNA) where: Base-Base interactions energy: -856.099 where: short stacking energy: -373.495 Base-Backbone interact. energy: -1.908 local terms energy: -406.630569 where: bonds (distance) C4'-P energy: -85.897 bonds (distance) P-C4' energy: -63.687 flat angles C4'-P-C4' energy: -92.926 flat angles P-C4'-P energy: -59.063 tors. eta vs tors. theta energy: -105.059 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: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1169.044248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.044248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.044248 (E_RNA) where: Base-Base interactions energy: -762.137 where: short stacking energy: -354.512 Base-Backbone interact. energy: -0.608 local terms energy: -406.298646 where: bonds (distance) C4'-P energy: -82.180 bonds (distance) P-C4' energy: -57.635 flat angles C4'-P-C4' energy: -85.648 flat angles P-C4'-P energy: -61.556 tors. eta vs tors. theta energy: -119.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1133.364346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.364346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.364346 (E_RNA) where: Base-Base interactions energy: -763.426 where: short stacking energy: -322.146 Base-Backbone interact. energy: -2.871 local terms energy: -367.066678 where: bonds (distance) C4'-P energy: -66.717 bonds (distance) P-C4' energy: -79.444 flat angles C4'-P-C4' energy: -80.153 flat angles P-C4'-P energy: -54.302 tors. eta vs tors. theta energy: -86.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1144.934508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.934508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.934508 (E_RNA) where: Base-Base interactions energy: -775.825 where: short stacking energy: -322.120 Base-Backbone interact. energy: -2.760 local terms energy: -366.349353 where: bonds (distance) C4'-P energy: -74.735 bonds (distance) P-C4' energy: -66.298 flat angles C4'-P-C4' energy: -71.608 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -105.179 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: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -923.923633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.923633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.923633 (E_RNA) where: Base-Base interactions energy: -586.445 where: short stacking energy: -266.663 Base-Backbone interact. energy: -2.353 local terms energy: -335.126463 where: bonds (distance) C4'-P energy: -62.999 bonds (distance) P-C4' energy: -76.374 flat angles C4'-P-C4' energy: -78.730 flat angles P-C4'-P energy: -49.589 tors. eta vs tors. theta energy: -67.435 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: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -872.056607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.056607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.056607 (E_RNA) where: Base-Base interactions energy: -563.505 where: short stacking energy: -246.539 Base-Backbone interact. energy: -2.964 local terms energy: -305.587586 where: bonds (distance) C4'-P energy: -68.624 bonds (distance) P-C4' energy: -76.607 flat angles C4'-P-C4' energy: -68.626 flat angles P-C4'-P energy: -39.839 tors. eta vs tors. theta energy: -51.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -478.676514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.676514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.676514 (E_RNA) where: Base-Base interactions energy: -240.676 where: short stacking energy: -133.279 Base-Backbone interact. energy: -3.378 local terms energy: -234.622196 where: bonds (distance) C4'-P energy: -76.200 bonds (distance) P-C4' energy: -75.121 flat angles C4'-P-C4' energy: -63.087 flat angles P-C4'-P energy: -30.961 tors. eta vs tors. theta energy: 10.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -367.493738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.493738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.493738 (E_RNA) where: Base-Base interactions energy: -154.688 where: short stacking energy: -130.338 Base-Backbone interact. energy: 7.747 local terms energy: -220.552986 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -64.107 flat angles C4'-P-C4' energy: -70.416 flat angles P-C4'-P energy: -23.147 tors. eta vs tors. theta energy: -1.331 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: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -310.815188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.815188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.815188 (E_RNA) where: Base-Base interactions energy: -102.233 where: short stacking energy: -63.649 Base-Backbone interact. energy: -1.865 local terms energy: -206.717213 where: bonds (distance) C4'-P energy: -70.469 bonds (distance) P-C4' energy: -60.686 flat angles C4'-P-C4' energy: -55.516 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: 23.808 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: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1355.516547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.516547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.516547 (E_RNA) where: Base-Base interactions energy: -947.419 where: short stacking energy: -393.838 Base-Backbone interact. energy: -1.365 local terms energy: -406.732830 where: bonds (distance) C4'-P energy: -75.063 bonds (distance) P-C4' energy: -72.020 flat angles C4'-P-C4' energy: -84.374 flat angles P-C4'-P energy: -54.310 tors. eta vs tors. theta energy: -120.966 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: 2, replica: 5 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1258.461271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.461271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.461271 (E_RNA) where: Base-Base interactions energy: -855.071 where: short stacking energy: -370.704 Base-Backbone interact. energy: -1.163 local terms energy: -402.228049 where: bonds (distance) C4'-P energy: -74.081 bonds (distance) P-C4' energy: -77.735 flat angles C4'-P-C4' energy: -82.741 flat angles P-C4'-P energy: -55.580 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: 3, replica: 10 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1142.437756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.437756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.437756 (E_RNA) where: Base-Base interactions energy: -738.855 where: short stacking energy: -346.315 Base-Backbone interact. energy: -2.495 local terms energy: -401.087487 where: bonds (distance) C4'-P energy: -73.573 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -79.654 flat angles P-C4'-P energy: -58.758 tors. eta vs tors. theta energy: -100.357 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: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1146.840301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.840301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.840301 (E_RNA) where: Base-Base interactions energy: -781.969 where: short stacking energy: -330.483 Base-Backbone interact. energy: -1.863 local terms energy: -363.008564 where: bonds (distance) C4'-P energy: -79.789 bonds (distance) P-C4' energy: -78.173 flat angles C4'-P-C4' energy: -57.333 flat angles P-C4'-P energy: -54.816 tors. eta vs tors. theta energy: -92.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1107.651302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.651302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.651302 (E_RNA) where: Base-Base interactions energy: -735.419 where: short stacking energy: -312.801 Base-Backbone interact. energy: 0.021 local terms energy: -372.253698 where: bonds (distance) C4'-P energy: -73.048 bonds (distance) P-C4' energy: -85.614 flat angles C4'-P-C4' energy: -85.709 flat angles P-C4'-P energy: -47.718 tors. eta vs tors. theta energy: -80.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -933.017495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.017495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.017495 (E_RNA) where: Base-Base interactions energy: -597.245 where: short stacking energy: -278.912 Base-Backbone interact. energy: -0.823 local terms energy: -334.949574 where: bonds (distance) C4'-P energy: -61.012 bonds (distance) P-C4' energy: -76.494 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -79.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -871.311718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.311718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.311718 (E_RNA) where: Base-Base interactions energy: -548.710 where: short stacking energy: -244.401 Base-Backbone interact. energy: -2.340 local terms energy: -320.261433 where: bonds (distance) C4'-P energy: -69.897 bonds (distance) P-C4' energy: -68.748 flat angles C4'-P-C4' energy: -69.387 flat angles P-C4'-P energy: -49.498 tors. eta vs tors. theta energy: -62.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -491.587231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.587231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.587231 (E_RNA) where: Base-Base interactions energy: -234.411 where: short stacking energy: -137.989 Base-Backbone interact. energy: -0.753 local terms energy: -256.423652 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -73.964 flat angles C4'-P-C4' energy: -61.672 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -15.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -348.003170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.003170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.003170 (E_RNA) where: Base-Base interactions energy: -138.409 where: short stacking energy: -104.251 Base-Backbone interact. energy: -1.595 local terms energy: -207.999021 where: bonds (distance) C4'-P energy: -63.632 bonds (distance) P-C4' energy: -75.512 flat angles C4'-P-C4' energy: -58.760 flat angles P-C4'-P energy: -21.931 tors. eta vs tors. theta energy: 11.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -320.552502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.552502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.552502 (E_RNA) where: Base-Base interactions energy: -97.369 where: short stacking energy: -70.217 Base-Backbone interact. energy: 1.764 local terms energy: -224.947966 where: bonds (distance) C4'-P energy: -66.827 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -65.172 flat angles P-C4'-P energy: -50.971 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: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1356.444752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.444752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.444752 (E_RNA) where: Base-Base interactions energy: -944.437 where: short stacking energy: -399.068 Base-Backbone interact. energy: -1.536 local terms energy: -410.471636 where: bonds (distance) C4'-P energy: -64.684 bonds (distance) P-C4' energy: -80.586 flat angles C4'-P-C4' energy: -80.431 flat angles P-C4'-P energy: -63.034 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: 2, replica: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1252.280962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.280962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.280962 (E_RNA) where: Base-Base interactions energy: -849.672 where: short stacking energy: -367.559 Base-Backbone interact. energy: -0.570 local terms energy: -402.039167 where: bonds (distance) C4'-P energy: -75.470 bonds (distance) P-C4' energy: -70.163 flat angles C4'-P-C4' energy: -85.902 flat angles P-C4'-P energy: -58.482 tors. eta vs tors. theta energy: -112.022 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: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1159.266433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.266433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.266433 (E_RNA) where: Base-Base interactions energy: -785.608 where: short stacking energy: -310.169 Base-Backbone interact. energy: -1.267 local terms energy: -372.391431 where: bonds (distance) C4'-P energy: -77.301 bonds (distance) P-C4' energy: -65.398 flat angles C4'-P-C4' energy: -81.254 flat angles P-C4'-P energy: -58.387 tors. eta vs tors. theta energy: -90.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1131.345123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.345123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.345123 (E_RNA) where: Base-Base interactions energy: -741.794 where: short stacking energy: -341.243 Base-Backbone interact. energy: -1.774 local terms energy: -387.776335 where: bonds (distance) C4'-P energy: -69.666 bonds (distance) P-C4' energy: -80.453 flat angles C4'-P-C4' energy: -84.241 flat angles P-C4'-P energy: -51.425 tors. eta vs tors. theta energy: -101.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1076.828896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.828896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.828896 (E_RNA) where: Base-Base interactions energy: -708.476 where: short stacking energy: -289.990 Base-Backbone interact. energy: -2.118 local terms energy: -366.235563 where: bonds (distance) C4'-P energy: -77.431 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -78.019 flat angles P-C4'-P energy: -58.105 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: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -924.737348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.737348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.737348 (E_RNA) where: Base-Base interactions energy: -599.102 where: short stacking energy: -268.882 Base-Backbone interact. energy: 0.345 local terms energy: -325.980678 where: bonds (distance) C4'-P energy: -60.786 bonds (distance) P-C4' energy: -78.485 flat angles C4'-P-C4' energy: -76.180 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -64.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -787.975135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.975135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.975135 (E_RNA) where: Base-Base interactions energy: -499.072 where: short stacking energy: -228.823 Base-Backbone interact. energy: -2.669 local terms energy: -286.234663 where: bonds (distance) C4'-P energy: -76.081 bonds (distance) P-C4' energy: -63.645 flat angles C4'-P-C4' energy: -70.254 flat angles P-C4'-P energy: -33.807 tors. eta vs tors. theta energy: -42.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -480.253519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.253519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.253519 (E_RNA) where: Base-Base interactions energy: -218.678 where: short stacking energy: -131.286 Base-Backbone interact. energy: -1.147 local terms energy: -260.429150 where: bonds (distance) C4'-P energy: -77.328 bonds (distance) P-C4' energy: -71.272 flat angles C4'-P-C4' energy: -65.801 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -4.389 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: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -428.578558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.578558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.578558 (E_RNA) where: Base-Base interactions energy: -207.242 where: short stacking energy: -110.352 Base-Backbone interact. energy: -1.412 local terms energy: -219.924691 where: bonds (distance) C4'-P energy: -62.021 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -63.163 flat angles P-C4'-P energy: -37.009 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: 10, replica: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -345.030977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.030977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.030977 (E_RNA) where: Base-Base interactions energy: -124.401 where: short stacking energy: -108.968 Base-Backbone interact. energy: 2.327 local terms energy: -222.957639 where: bonds (distance) C4'-P energy: -59.812 bonds (distance) P-C4' energy: -61.344 flat angles C4'-P-C4' energy: -68.964 flat angles P-C4'-P energy: -39.188 tors. eta vs tors. theta energy: 6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1381.671807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.671807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.671807 (E_RNA) where: Base-Base interactions energy: -950.227 where: short stacking energy: -398.511 Base-Backbone interact. energy: 0.274 local terms energy: -431.718756 where: bonds (distance) C4'-P energy: -70.878 bonds (distance) P-C4' energy: -84.223 flat angles C4'-P-C4' energy: -88.761 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: -121.812 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: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1239.790118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.790118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.790118 (E_RNA) where: Base-Base interactions energy: -823.754 where: short stacking energy: -369.675 Base-Backbone interact. energy: -2.982 local terms energy: -413.054098 where: bonds (distance) C4'-P energy: -67.457 bonds (distance) P-C4' energy: -82.980 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -53.779 tors. eta vs tors. theta energy: -116.518 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: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1123.586613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.586613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.586613 (E_RNA) where: Base-Base interactions energy: -755.038 where: short stacking energy: -327.300 Base-Backbone interact. energy: 0.328 local terms energy: -368.877302 where: bonds (distance) C4'-P energy: -79.766 bonds (distance) P-C4' energy: -78.984 flat angles C4'-P-C4' energy: -77.456 flat angles P-C4'-P energy: -33.463 tors. eta vs tors. theta energy: -99.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1129.895004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.895004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.895004 (E_RNA) where: Base-Base interactions energy: -736.893 where: short stacking energy: -329.110 Base-Backbone interact. energy: -0.826 local terms energy: -392.175637 where: bonds (distance) C4'-P energy: -70.680 bonds (distance) P-C4' energy: -70.052 flat angles C4'-P-C4' energy: -83.398 flat angles P-C4'-P energy: -57.541 tors. eta vs tors. theta energy: -110.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1093.318696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.318696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.318696 (E_RNA) where: Base-Base interactions energy: -731.708 where: short stacking energy: -313.142 Base-Backbone interact. energy: -0.660 local terms energy: -360.950687 where: bonds (distance) C4'-P energy: -73.167 bonds (distance) P-C4' energy: -63.386 flat angles C4'-P-C4' energy: -85.037 flat angles P-C4'-P energy: -49.781 tors. eta vs tors. theta energy: -89.580 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: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -959.593285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.593285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.593285 (E_RNA) where: Base-Base interactions energy: -631.862 where: short stacking energy: -284.829 Base-Backbone interact. energy: 0.698 local terms energy: -328.429945 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -71.493 flat angles C4'-P-C4' energy: -81.563 flat angles P-C4'-P energy: -45.146 tors. eta vs tors. theta energy: -73.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -821.844122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.844122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.844122 (E_RNA) where: Base-Base interactions energy: -505.587 where: short stacking energy: -231.300 Base-Backbone interact. energy: -3.550 local terms energy: -312.706904 where: bonds (distance) C4'-P energy: -55.870 bonds (distance) P-C4' energy: -78.043 flat angles C4'-P-C4' energy: -70.802 flat angles P-C4'-P energy: -44.640 tors. eta vs tors. theta energy: -63.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -481.994101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.994101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.994101 (E_RNA) where: Base-Base interactions energy: -253.554 where: short stacking energy: -139.154 Base-Backbone interact. energy: -0.178 local terms energy: -228.262059 where: bonds (distance) C4'-P energy: -71.279 bonds (distance) P-C4' energy: -72.851 flat angles C4'-P-C4' energy: -43.263 flat angles P-C4'-P energy: -27.729 tors. eta vs tors. theta energy: -13.140 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: 467 Temperature: 1.300000 Total energy: -432.325246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.325246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.325246 (E_RNA) where: Base-Base interactions energy: -208.624 where: short stacking energy: -105.377 Base-Backbone interact. energy: -3.250 local terms energy: -220.450429 where: bonds (distance) C4'-P energy: -74.920 bonds (distance) P-C4' energy: -69.357 flat angles C4'-P-C4' energy: -51.501 flat angles P-C4'-P energy: -32.029 tors. eta vs tors. theta energy: 7.357 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: 467 Temperature: 1.350000 Total energy: -301.565905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.565905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.565905 (E_RNA) where: Base-Base interactions energy: -110.573 where: short stacking energy: -81.195 Base-Backbone interact. energy: 2.264 local terms energy: -193.256267 where: bonds (distance) C4'-P energy: -63.481 bonds (distance) P-C4' energy: -72.860 flat angles C4'-P-C4' energy: -46.710 flat angles P-C4'-P energy: -39.905 tors. eta vs tors. theta energy: 29.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1403.185851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.185851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.185851 (E_RNA) where: Base-Base interactions energy: -954.667 where: short stacking energy: -403.340 Base-Backbone interact. energy: -1.364 local terms energy: -447.154138 where: bonds (distance) C4'-P energy: -83.211 bonds (distance) P-C4' energy: -81.651 flat angles C4'-P-C4' energy: -92.690 flat angles P-C4'-P energy: -69.511 tors. eta vs tors. theta energy: -120.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1256.785603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.785603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.785603 (E_RNA) where: Base-Base interactions energy: -834.243 where: short stacking energy: -351.150 Base-Backbone interact. energy: -0.415 local terms energy: -422.127511 where: bonds (distance) C4'-P energy: -84.873 bonds (distance) P-C4' energy: -79.697 flat angles C4'-P-C4' energy: -84.930 flat angles P-C4'-P energy: -58.267 tors. eta vs tors. theta energy: -114.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1164.972862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.972862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.972862 (E_RNA) where: Base-Base interactions energy: -787.587 where: short stacking energy: -335.863 Base-Backbone interact. energy: 1.615 local terms energy: -379.000551 where: bonds (distance) C4'-P energy: -74.681 bonds (distance) P-C4' energy: -69.263 flat angles C4'-P-C4' energy: -75.731 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -99.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1127.023310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.023310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.023310 (E_RNA) where: Base-Base interactions energy: -761.803 where: short stacking energy: -338.315 Base-Backbone interact. energy: 1.214 local terms energy: -366.434306 where: bonds (distance) C4'-P energy: -63.725 bonds (distance) P-C4' energy: -63.860 flat angles C4'-P-C4' energy: -82.407 flat angles P-C4'-P energy: -55.162 tors. eta vs tors. theta energy: -101.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1101.210633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.210633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.210633 (E_RNA) where: Base-Base interactions energy: -726.354 where: short stacking energy: -309.506 Base-Backbone interact. energy: -1.100 local terms energy: -373.757162 where: bonds (distance) C4'-P energy: -79.627 bonds (distance) P-C4' energy: -75.737 flat angles C4'-P-C4' energy: -79.562 flat angles P-C4'-P energy: -55.145 tors. eta vs tors. theta energy: -83.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -908.577786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.577786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.577786 (E_RNA) where: Base-Base interactions energy: -566.121 where: short stacking energy: -242.866 Base-Backbone interact. energy: -5.259 local terms energy: -337.197353 where: bonds (distance) C4'-P energy: -74.007 bonds (distance) P-C4' energy: -69.780 flat angles C4'-P-C4' energy: -80.638 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -56.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -793.739404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.739404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.739404 (E_RNA) where: Base-Base interactions energy: -485.813 where: short stacking energy: -229.506 Base-Backbone interact. energy: 0.209 local terms energy: -308.135030 where: bonds (distance) C4'-P energy: -57.022 bonds (distance) P-C4' energy: -74.724 flat angles C4'-P-C4' energy: -68.359 flat angles P-C4'-P energy: -53.736 tors. eta vs tors. theta energy: -54.294 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: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -496.435337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.435337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.435337 (E_RNA) where: Base-Base interactions energy: -249.459 where: short stacking energy: -127.581 Base-Backbone interact. energy: 3.942 local terms energy: -250.918246 where: bonds (distance) C4'-P energy: -73.483 bonds (distance) P-C4' energy: -68.620 flat angles C4'-P-C4' energy: -49.830 flat angles P-C4'-P energy: -47.152 tors. eta vs tors. theta energy: -11.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -431.326097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.326097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.326097 (E_RNA) where: Base-Base interactions energy: -189.474 where: short stacking energy: -126.001 Base-Backbone interact. energy: 0.397 local terms energy: -242.249251 where: bonds (distance) C4'-P energy: -67.082 bonds (distance) P-C4' energy: -71.343 flat angles C4'-P-C4' energy: -58.019 flat angles P-C4'-P energy: -39.049 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -324.649897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.649897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.649897 (E_RNA) where: Base-Base interactions energy: -117.034 where: short stacking energy: -100.575 Base-Backbone interact. energy: -0.322 local terms energy: -207.293890 where: bonds (distance) C4'-P energy: -61.139 bonds (distance) P-C4' energy: -76.776 flat angles C4'-P-C4' energy: -53.666 flat angles P-C4'-P energy: -28.973 tors. eta vs tors. theta energy: 13.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1380.219528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.219528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.219528 (E_RNA) where: Base-Base interactions energy: -964.413 where: short stacking energy: -397.847 Base-Backbone interact. energy: -1.271 local terms energy: -414.535575 where: bonds (distance) C4'-P energy: -71.032 bonds (distance) P-C4' energy: -84.559 flat angles C4'-P-C4' energy: -84.761 flat angles P-C4'-P energy: -54.611 tors. eta vs tors. theta energy: -119.572 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: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1304.088466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.088466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.088466 (E_RNA) where: Base-Base interactions energy: -898.856 where: short stacking energy: -384.799 Base-Backbone interact. energy: -1.642 local terms energy: -403.590194 where: bonds (distance) C4'-P energy: -74.211 bonds (distance) P-C4' energy: -66.840 flat angles C4'-P-C4' energy: -86.205 flat angles P-C4'-P energy: -60.397 tors. eta vs tors. theta energy: -115.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1154.124828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.124828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.124828 (E_RNA) where: Base-Base interactions energy: -762.505 where: short stacking energy: -337.972 Base-Backbone interact. energy: -1.359 local terms energy: -390.260475 where: bonds (distance) C4'-P energy: -82.683 bonds (distance) P-C4' energy: -75.005 flat angles C4'-P-C4' energy: -86.465 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -98.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1121.891017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.891017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.891017 (E_RNA) where: Base-Base interactions energy: -766.196 where: short stacking energy: -327.876 Base-Backbone interact. energy: -0.604 local terms energy: -355.091081 where: bonds (distance) C4'-P energy: -65.533 bonds (distance) P-C4' energy: -72.078 flat angles C4'-P-C4' energy: -87.703 flat angles P-C4'-P energy: -35.783 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: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1067.602137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.602137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.602137 (E_RNA) where: Base-Base interactions energy: -715.596 where: short stacking energy: -312.073 Base-Backbone interact. energy: -1.037 local terms energy: -350.969368 where: bonds (distance) C4'-P energy: -62.234 bonds (distance) P-C4' energy: -48.105 flat angles C4'-P-C4' energy: -87.571 flat angles P-C4'-P energy: -54.947 tors. eta vs tors. theta energy: -98.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -914.109803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.109803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.109803 (E_RNA) where: Base-Base interactions energy: -573.964 where: short stacking energy: -253.106 Base-Backbone interact. energy: -4.136 local terms energy: -336.009402 where: bonds (distance) C4'-P energy: -78.167 bonds (distance) P-C4' energy: -55.355 flat angles C4'-P-C4' energy: -76.796 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -73.629 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: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -824.023259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.023259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.023259 (E_RNA) where: Base-Base interactions energy: -519.909 where: short stacking energy: -225.541 Base-Backbone interact. energy: 2.077 local terms energy: -306.191327 where: bonds (distance) C4'-P energy: -73.086 bonds (distance) P-C4' energy: -72.355 flat angles C4'-P-C4' energy: -73.809 flat angles P-C4'-P energy: -41.986 tors. eta vs tors. theta energy: -44.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -446.827841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.827841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.827841 (E_RNA) where: Base-Base interactions energy: -193.033 where: short stacking energy: -126.666 Base-Backbone interact. energy: -0.751 local terms energy: -253.043738 where: bonds (distance) C4'-P energy: -61.635 bonds (distance) P-C4' energy: -59.334 flat angles C4'-P-C4' energy: -70.806 flat angles P-C4'-P energy: -42.536 tors. eta vs tors. theta energy: -18.733 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: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -429.204977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.204977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.204977 (E_RNA) where: Base-Base interactions energy: -195.024 where: short stacking energy: -106.462 Base-Backbone interact. energy: -1.988 local terms energy: -232.192659 where: bonds (distance) C4'-P energy: -63.875 bonds (distance) P-C4' energy: -67.895 flat angles C4'-P-C4' energy: -55.608 flat angles P-C4'-P energy: -36.880 tors. eta vs tors. theta energy: -7.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -345.471589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.471589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.471589 (E_RNA) where: Base-Base interactions energy: -143.926 where: short stacking energy: -76.691 Base-Backbone interact. energy: 0.967 local terms energy: -202.512366 where: bonds (distance) C4'-P energy: -70.843 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -48.814 flat angles P-C4'-P energy: -39.625 tors. eta vs tors. theta energy: 22.490 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: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1362.909566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.909566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.909566 (E_RNA) where: Base-Base interactions energy: -917.301 where: short stacking energy: -391.532 Base-Backbone interact. energy: -2.952 local terms energy: -442.656835 where: bonds (distance) C4'-P energy: -76.704 bonds (distance) P-C4' energy: -91.212 flat angles C4'-P-C4' energy: -94.046 flat angles P-C4'-P energy: -58.905 tors. eta vs tors. theta energy: -121.790 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: 2, replica: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1267.289478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.289478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.289478 (E_RNA) where: Base-Base interactions energy: -845.621 where: short stacking energy: -371.818 Base-Backbone interact. energy: -2.424 local terms energy: -419.243764 where: bonds (distance) C4'-P energy: -71.497 bonds (distance) P-C4' energy: -73.941 flat angles C4'-P-C4' energy: -98.359 flat angles P-C4'-P energy: -55.100 tors. eta vs tors. theta energy: -120.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1157.470892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.470892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.470892 (E_RNA) where: Base-Base interactions energy: -751.534 where: short stacking energy: -333.355 Base-Backbone interact. energy: -0.984 local terms energy: -404.952982 where: bonds (distance) C4'-P energy: -81.471 bonds (distance) P-C4' energy: -68.707 flat angles C4'-P-C4' energy: -90.862 flat angles P-C4'-P energy: -60.450 tors. eta vs tors. theta energy: -103.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1147.032129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.032129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.032129 (E_RNA) where: Base-Base interactions energy: -764.996 where: short stacking energy: -321.036 Base-Backbone interact. energy: 0.606 local terms energy: -382.641656 where: bonds (distance) C4'-P energy: -74.067 bonds (distance) P-C4' energy: -77.765 flat angles C4'-P-C4' energy: -81.267 flat angles P-C4'-P energy: -48.097 tors. eta vs tors. theta energy: -101.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1057.192486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.192486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.192486 (E_RNA) where: Base-Base interactions energy: -688.659 where: short stacking energy: -305.574 Base-Backbone interact. energy: 0.514 local terms energy: -369.047841 where: bonds (distance) C4'-P energy: -76.440 bonds (distance) P-C4' energy: -83.451 flat angles C4'-P-C4' energy: -72.500 flat angles P-C4'-P energy: -42.426 tors. eta vs tors. theta energy: -94.231 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: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -932.609797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.609797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.609797 (E_RNA) where: Base-Base interactions energy: -607.285 where: short stacking energy: -275.602 Base-Backbone interact. energy: 3.255 local terms energy: -328.579521 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -59.910 flat angles C4'-P-C4' energy: -86.235 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: -67.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -786.664780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.664780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.664780 (E_RNA) where: Base-Base interactions energy: -495.082 where: short stacking energy: -218.604 Base-Backbone interact. energy: -2.571 local terms energy: -289.011334 where: bonds (distance) C4'-P energy: -65.905 bonds (distance) P-C4' energy: -68.944 flat angles C4'-P-C4' energy: -63.689 flat angles P-C4'-P energy: -43.897 tors. eta vs tors. theta energy: -46.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -443.096367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.096367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.096367 (E_RNA) where: Base-Base interactions energy: -196.698 where: short stacking energy: -115.568 Base-Backbone interact. energy: -0.226 local terms energy: -246.172826 where: bonds (distance) C4'-P energy: -57.452 bonds (distance) P-C4' energy: -75.419 flat angles C4'-P-C4' energy: -68.375 flat angles P-C4'-P energy: -47.909 tors. eta vs tors. theta energy: 2.982 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: 4 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -426.955716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.955716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.955716 (E_RNA) where: Base-Base interactions energy: -196.455 where: short stacking energy: -111.675 Base-Backbone interact. energy: 0.047 local terms energy: -230.547788 where: bonds (distance) C4'-P energy: -68.170 bonds (distance) P-C4' energy: -57.952 flat angles C4'-P-C4' energy: -62.394 flat angles P-C4'-P energy: -42.048 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -313.391846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.391846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.391846 (E_RNA) where: Base-Base interactions energy: -101.090 where: short stacking energy: -76.060 Base-Backbone interact. energy: 0.184 local terms energy: -212.486637 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -70.632 flat angles C4'-P-C4' energy: -49.891 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: 16.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1368.597803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.597803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.597803 (E_RNA) where: Base-Base interactions energy: -939.747 where: short stacking energy: -386.479 Base-Backbone interact. energy: -4.394 local terms energy: -424.456974 where: bonds (distance) C4'-P energy: -86.491 bonds (distance) P-C4' energy: -63.792 flat angles C4'-P-C4' energy: -91.514 flat angles P-C4'-P energy: -66.377 tors. eta vs tors. theta energy: -116.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1285.682929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.682929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.682929 (E_RNA) where: Base-Base interactions energy: -855.776 where: short stacking energy: -362.923 Base-Backbone interact. energy: 0.350 local terms energy: -430.257103 where: bonds (distance) C4'-P energy: -82.927 bonds (distance) P-C4' energy: -79.043 flat angles C4'-P-C4' energy: -88.603 flat angles P-C4'-P energy: -58.769 tors. eta vs tors. theta energy: -120.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1133.918340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.918340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.918340 (E_RNA) where: Base-Base interactions energy: -757.757 where: short stacking energy: -327.002 Base-Backbone interact. energy: 1.279 local terms energy: -377.439478 where: bonds (distance) C4'-P energy: -71.971 bonds (distance) P-C4' energy: -82.453 flat angles C4'-P-C4' energy: -74.693 flat angles P-C4'-P energy: -50.311 tors. eta vs tors. theta energy: -98.012 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: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1103.343769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.343769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.343769 (E_RNA) where: Base-Base interactions energy: -727.753 where: short stacking energy: -323.628 Base-Backbone interact. energy: -2.028 local terms energy: -373.563367 where: bonds (distance) C4'-P energy: -70.938 bonds (distance) P-C4' energy: -70.419 flat angles C4'-P-C4' energy: -77.278 flat angles P-C4'-P energy: -60.372 tors. eta vs tors. theta energy: -94.556 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: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1083.543331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.543331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.543331 (E_RNA) where: Base-Base interactions energy: -683.144 where: short stacking energy: -316.061 Base-Backbone interact. energy: -1.818 local terms energy: -398.581846 where: bonds (distance) C4'-P energy: -79.808 bonds (distance) P-C4' energy: -69.313 flat angles C4'-P-C4' energy: -81.558 flat angles P-C4'-P energy: -63.676 tors. eta vs tors. theta energy: -104.227 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: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -887.331977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.331977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.331977 (E_RNA) where: Base-Base interactions energy: -572.982 where: short stacking energy: -250.292 Base-Backbone interact. energy: -2.582 local terms energy: -311.767720 where: bonds (distance) C4'-P energy: -70.438 bonds (distance) P-C4' energy: -55.490 flat angles C4'-P-C4' energy: -70.606 flat angles P-C4'-P energy: -49.902 tors. eta vs tors. theta energy: -65.331 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: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -775.788458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.788458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.788458 (E_RNA) where: Base-Base interactions energy: -509.672 where: short stacking energy: -215.684 Base-Backbone interact. energy: -0.268 local terms energy: -265.847789 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -54.050 flat angles C4'-P-C4' energy: -60.425 flat angles P-C4'-P energy: -37.746 tors. eta vs tors. theta energy: -47.409 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: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -441.711527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.711527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.711527 (E_RNA) where: Base-Base interactions energy: -206.934 where: short stacking energy: -124.391 Base-Backbone interact. energy: -1.551 local terms energy: -233.226860 where: bonds (distance) C4'-P energy: -67.301 bonds (distance) P-C4' energy: -74.365 flat angles C4'-P-C4' energy: -59.678 flat angles P-C4'-P energy: -35.083 tors. eta vs tors. theta energy: 3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -407.119405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.119405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.119405 (E_RNA) where: Base-Base interactions energy: -187.603 where: short stacking energy: -122.469 Base-Backbone interact. energy: 4.291 local terms energy: -223.807619 where: bonds (distance) C4'-P energy: -66.034 bonds (distance) P-C4' energy: -56.159 flat angles C4'-P-C4' energy: -61.024 flat angles P-C4'-P energy: -34.504 tors. eta vs tors. theta energy: -6.088 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: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -310.560313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.560313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.560313 (E_RNA) where: Base-Base interactions energy: -105.007 where: short stacking energy: -79.764 Base-Backbone interact. energy: 3.408 local terms energy: -208.961370 where: bonds (distance) C4'-P energy: -68.852 bonds (distance) P-C4' energy: -63.805 flat angles C4'-P-C4' energy: -52.369 flat angles P-C4'-P energy: -35.612 tors. eta vs tors. theta energy: 11.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1353.165579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.165579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.165579 (E_RNA) where: Base-Base interactions energy: -931.236 where: short stacking energy: -395.873 Base-Backbone interact. energy: 0.604 local terms energy: -422.533805 where: bonds (distance) C4'-P energy: -79.143 bonds (distance) P-C4' energy: -83.637 flat angles C4'-P-C4' energy: -83.182 flat angles P-C4'-P energy: -57.533 tors. eta vs tors. theta energy: -119.038 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: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1264.479754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.479754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.479754 (E_RNA) where: Base-Base interactions energy: -867.195 where: short stacking energy: -360.035 Base-Backbone interact. energy: -1.651 local terms energy: -395.633122 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -71.146 flat angles C4'-P-C4' energy: -85.297 flat angles P-C4'-P energy: -54.902 tors. eta vs tors. theta energy: -104.469 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: 10 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1166.424212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.424212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.424212 (E_RNA) where: Base-Base interactions energy: -773.768 where: short stacking energy: -337.375 Base-Backbone interact. energy: -2.827 local terms energy: -389.828745 where: bonds (distance) C4'-P energy: -68.223 bonds (distance) P-C4' energy: -71.611 flat angles C4'-P-C4' energy: -83.772 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -98.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1132.607889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.607889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.607889 (E_RNA) where: Base-Base interactions energy: -741.783 where: short stacking energy: -321.381 Base-Backbone interact. energy: -2.412 local terms energy: -388.413093 where: bonds (distance) C4'-P energy: -76.456 bonds (distance) P-C4' energy: -78.310 flat angles C4'-P-C4' energy: -90.102 flat angles P-C4'-P energy: -50.984 tors. eta vs tors. theta energy: -92.562 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: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1068.902961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.902961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.902961 (E_RNA) where: Base-Base interactions energy: -701.433 where: short stacking energy: -308.315 Base-Backbone interact. energy: 2.611 local terms energy: -370.080913 where: bonds (distance) C4'-P energy: -62.795 bonds (distance) P-C4' energy: -74.208 flat angles C4'-P-C4' energy: -76.044 flat angles P-C4'-P energy: -56.141 tors. eta vs tors. theta energy: -100.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -924.051971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.051971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.051971 (E_RNA) where: Base-Base interactions energy: -599.096 where: short stacking energy: -254.613 Base-Backbone interact. energy: -0.886 local terms energy: -324.070002 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -63.201 flat angles C4'-P-C4' energy: -76.071 flat angles P-C4'-P energy: -47.573 tors. eta vs tors. theta energy: -75.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -819.175674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.175674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.175674 (E_RNA) where: Base-Base interactions energy: -517.271 where: short stacking energy: -246.002 Base-Backbone interact. energy: -3.057 local terms energy: -298.847520 where: bonds (distance) C4'-P energy: -62.116 bonds (distance) P-C4' energy: -73.046 flat angles C4'-P-C4' energy: -64.111 flat angles P-C4'-P energy: -47.378 tors. eta vs tors. theta energy: -52.197 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: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -460.659994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.659994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.659994 (E_RNA) where: Base-Base interactions energy: -224.711 where: short stacking energy: -137.569 Base-Backbone interact. energy: -1.476 local terms energy: -234.472491 where: bonds (distance) C4'-P energy: -69.937 bonds (distance) P-C4' energy: -69.464 flat angles C4'-P-C4' energy: -64.455 flat angles P-C4'-P energy: -24.244 tors. eta vs tors. theta energy: -6.372 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: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -444.269600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.269600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.269600 (E_RNA) where: Base-Base interactions energy: -215.580 where: short stacking energy: -118.168 Base-Backbone interact. energy: -0.961 local terms energy: -227.728620 where: bonds (distance) C4'-P energy: -61.062 bonds (distance) P-C4' energy: -77.522 flat angles C4'-P-C4' energy: -57.465 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: 2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -320.792770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.792770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.792770 (E_RNA) where: Base-Base interactions energy: -118.387 where: short stacking energy: -82.160 Base-Backbone interact. energy: -0.936 local terms energy: -201.469943 where: bonds (distance) C4'-P energy: -68.454 bonds (distance) P-C4' energy: -57.726 flat angles C4'-P-C4' energy: -60.787 flat angles P-C4'-P energy: -18.433 tors. eta vs tors. theta energy: 3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1387.415915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.415915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.415915 (E_RNA) where: Base-Base interactions energy: -946.458 where: short stacking energy: -420.619 Base-Backbone interact. energy: -2.164 local terms energy: -438.793608 where: bonds (distance) C4'-P energy: -87.145 bonds (distance) P-C4' energy: -79.496 flat angles C4'-P-C4' energy: -95.793 flat angles P-C4'-P energy: -55.204 tors. eta vs tors. theta energy: -121.156 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: 2, replica: 5 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1257.430035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.430035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.430035 (E_RNA) where: Base-Base interactions energy: -846.275 where: short stacking energy: -357.641 Base-Backbone interact. energy: -0.057 local terms energy: -411.097958 where: bonds (distance) C4'-P energy: -72.277 bonds (distance) P-C4' energy: -84.155 flat angles C4'-P-C4' energy: -87.717 flat angles P-C4'-P energy: -52.455 tors. eta vs tors. theta energy: -114.493 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: 3, replica: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1177.413855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.413855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.413855 (E_RNA) where: Base-Base interactions energy: -790.528 where: short stacking energy: -353.504 Base-Backbone interact. energy: -1.573 local terms energy: -385.313612 where: bonds (distance) C4'-P energy: -71.741 bonds (distance) P-C4' energy: -77.756 flat angles C4'-P-C4' energy: -81.438 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -100.291 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: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1129.481067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.481067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.481067 (E_RNA) where: Base-Base interactions energy: -766.632 where: short stacking energy: -324.685 Base-Backbone interact. energy: 2.945 local terms energy: -365.794314 where: bonds (distance) C4'-P energy: -58.190 bonds (distance) P-C4' energy: -78.306 flat angles C4'-P-C4' energy: -84.914 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: -91.251 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: 6 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -990.033454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.033454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.033454 (E_RNA) where: Base-Base interactions energy: -664.573 where: short stacking energy: -274.734 Base-Backbone interact. energy: -2.043 local terms energy: -323.416819 where: bonds (distance) C4'-P energy: -50.383 bonds (distance) P-C4' energy: -74.820 flat angles C4'-P-C4' energy: -67.732 flat angles P-C4'-P energy: -56.196 tors. eta vs tors. theta energy: -74.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -953.481188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.481188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.481188 (E_RNA) where: Base-Base interactions energy: -637.190 where: short stacking energy: -292.900 Base-Backbone interact. energy: 1.462 local terms energy: -317.753356 where: bonds (distance) C4'-P energy: -63.022 bonds (distance) P-C4' energy: -61.024 flat angles C4'-P-C4' energy: -73.947 flat angles P-C4'-P energy: -48.842 tors. eta vs tors. theta energy: -70.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -754.215439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.215439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.215439 (E_RNA) where: Base-Base interactions energy: -452.105 where: short stacking energy: -223.939 Base-Backbone interact. energy: -0.933 local terms energy: -301.177458 where: bonds (distance) C4'-P energy: -57.278 bonds (distance) P-C4' energy: -66.171 flat angles C4'-P-C4' energy: -79.018 flat angles P-C4'-P energy: -40.946 tors. eta vs tors. theta energy: -57.764 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: 473 Temperature: 1.250000 Total energy: -478.607477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.607477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.607477 (E_RNA) where: Base-Base interactions energy: -238.308 where: short stacking energy: -160.608 Base-Backbone interact. energy: -0.661 local terms energy: -239.637980 where: bonds (distance) C4'-P energy: -65.197 bonds (distance) P-C4' energy: -71.457 flat angles C4'-P-C4' energy: -68.427 flat angles P-C4'-P energy: -19.591 tors. eta vs tors. theta energy: -14.965 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: 4 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -424.490978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.490978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.490978 (E_RNA) where: Base-Base interactions energy: -186.716 where: short stacking energy: -115.689 Base-Backbone interact. energy: -0.759 local terms energy: -237.016399 where: bonds (distance) C4'-P energy: -68.491 bonds (distance) P-C4' energy: -74.234 flat angles C4'-P-C4' energy: -60.763 flat angles P-C4'-P energy: -31.877 tors. eta vs tors. theta energy: -1.651 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: 473 Temperature: 1.350000 Total energy: -309.042271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.042271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.042271 (E_RNA) where: Base-Base interactions energy: -92.077 where: short stacking energy: -54.735 Base-Backbone interact. energy: 0.529 local terms energy: -217.494260 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -75.136 flat angles C4'-P-C4' energy: -62.465 flat angles P-C4'-P energy: -29.754 tors. eta vs tors. theta energy: 16.000 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: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1377.882293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.882293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.882293 (E_RNA) where: Base-Base interactions energy: -955.693 where: short stacking energy: -386.668 Base-Backbone interact. energy: -2.089 local terms energy: -420.100248 where: bonds (distance) C4'-P energy: -85.677 bonds (distance) P-C4' energy: -78.855 flat angles C4'-P-C4' energy: -86.295 flat angles P-C4'-P energy: -51.295 tors. eta vs tors. theta energy: -117.978 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: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1279.710677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.710677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.710677 (E_RNA) where: Base-Base interactions energy: -872.147 where: short stacking energy: -356.322 Base-Backbone interact. energy: -2.146 local terms energy: -405.417616 where: bonds (distance) C4'-P energy: -83.860 bonds (distance) P-C4' energy: -75.740 flat angles C4'-P-C4' energy: -85.841 flat angles P-C4'-P energy: -56.764 tors. eta vs tors. theta energy: -103.212 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: 3, replica: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1189.997024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.997024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.997024 (E_RNA) where: Base-Base interactions energy: -791.668 where: short stacking energy: -341.090 Base-Backbone interact. energy: -3.898 local terms energy: -394.430821 where: bonds (distance) C4'-P energy: -70.941 bonds (distance) P-C4' energy: -69.319 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -70.250 tors. eta vs tors. theta energy: -101.012 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: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1121.803094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.803094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.803094 (E_RNA) where: Base-Base interactions energy: -742.678 where: short stacking energy: -334.878 Base-Backbone interact. energy: -1.606 local terms energy: -377.519004 where: bonds (distance) C4'-P energy: -75.189 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -87.391 flat angles P-C4'-P energy: -44.820 tors. eta vs tors. theta energy: -102.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -973.604176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.604176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.604176 (E_RNA) where: Base-Base interactions energy: -615.813 where: short stacking energy: -268.056 Base-Backbone interact. energy: -3.358 local terms energy: -354.433306 where: bonds (distance) C4'-P energy: -74.877 bonds (distance) P-C4' energy: -76.957 flat angles C4'-P-C4' energy: -74.740 flat angles P-C4'-P energy: -47.811 tors. eta vs tors. theta energy: -80.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -904.108895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.108895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.108895 (E_RNA) where: Base-Base interactions energy: -583.366 where: short stacking energy: -264.034 Base-Backbone interact. energy: -1.670 local terms energy: -319.073299 where: bonds (distance) C4'-P energy: -73.698 bonds (distance) P-C4' energy: -69.993 flat angles C4'-P-C4' energy: -66.619 flat angles P-C4'-P energy: -42.743 tors. eta vs tors. theta energy: -66.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -747.667571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.667571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.667571 (E_RNA) where: Base-Base interactions energy: -431.048 where: short stacking energy: -200.517 Base-Backbone interact. energy: -0.958 local terms energy: -315.661859 where: bonds (distance) C4'-P energy: -57.092 bonds (distance) P-C4' energy: -77.318 flat angles C4'-P-C4' energy: -76.312 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: -56.075 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: 474 Temperature: 1.250000 Total energy: -471.155161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.155161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.155161 (E_RNA) where: Base-Base interactions energy: -212.463 where: short stacking energy: -106.613 Base-Backbone interact. energy: -0.245 local terms energy: -258.447211 where: bonds (distance) C4'-P energy: -84.398 bonds (distance) P-C4' energy: -71.092 flat angles C4'-P-C4' energy: -61.154 flat angles P-C4'-P energy: -38.151 tors. eta vs tors. theta energy: -3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -394.658027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.658027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.658027 (E_RNA) where: Base-Base interactions energy: -179.537 where: short stacking energy: -111.263 Base-Backbone interact. energy: 0.162 local terms energy: -215.283364 where: bonds (distance) C4'-P energy: -69.697 bonds (distance) P-C4' energy: -64.935 flat angles C4'-P-C4' energy: -58.810 flat angles P-C4'-P energy: -21.860 tors. eta vs tors. theta energy: 0.018 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: 474 Temperature: 1.350000 Total energy: -360.380978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.380978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.380978 (E_RNA) where: Base-Base interactions energy: -161.085 where: short stacking energy: -85.941 Base-Backbone interact. energy: 0.926 local terms energy: -200.222528 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -64.490 flat angles C4'-P-C4' energy: -54.364 flat angles P-C4'-P energy: -23.362 tors. eta vs tors. theta energy: 8.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1361.288521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.288521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.288521 (E_RNA) where: Base-Base interactions energy: -938.731 where: short stacking energy: -390.133 Base-Backbone interact. energy: -2.107 local terms energy: -420.450618 where: bonds (distance) C4'-P energy: -75.046 bonds (distance) P-C4' energy: -78.603 flat angles C4'-P-C4' energy: -89.545 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -120.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1269.654620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.654620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.654620 (E_RNA) where: Base-Base interactions energy: -845.281 where: short stacking energy: -356.395 Base-Backbone interact. energy: -0.183 local terms energy: -424.190951 where: bonds (distance) C4'-P energy: -75.118 bonds (distance) P-C4' energy: -78.765 flat angles C4'-P-C4' energy: -91.781 flat angles P-C4'-P energy: -71.498 tors. eta vs tors. theta energy: -107.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1198.690731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.690731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.690731 (E_RNA) where: Base-Base interactions energy: -793.204 where: short stacking energy: -351.450 Base-Backbone interact. energy: -0.548 local terms energy: -404.938202 where: bonds (distance) C4'-P energy: -80.997 bonds (distance) P-C4' energy: -67.815 flat angles C4'-P-C4' energy: -88.697 flat angles P-C4'-P energy: -61.476 tors. eta vs tors. theta energy: -105.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1149.012989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.012989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.012989 (E_RNA) where: Base-Base interactions energy: -769.555 where: short stacking energy: -341.346 Base-Backbone interact. energy: -1.071 local terms energy: -378.387117 where: bonds (distance) C4'-P energy: -67.011 bonds (distance) P-C4' energy: -76.317 flat angles C4'-P-C4' energy: -86.192 flat angles P-C4'-P energy: -50.145 tors. eta vs tors. theta energy: -98.722 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: 7 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -976.338568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.338568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.338568 (E_RNA) where: Base-Base interactions energy: -639.409 where: short stacking energy: -298.267 Base-Backbone interact. energy: -1.235 local terms energy: -335.694024 where: bonds (distance) C4'-P energy: -66.154 bonds (distance) P-C4' energy: -61.016 flat angles C4'-P-C4' energy: -70.748 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: -86.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -887.906984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.906984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.906984 (E_RNA) where: Base-Base interactions energy: -558.367 where: short stacking energy: -249.176 Base-Backbone interact. energy: 3.062 local terms energy: -332.601356 where: bonds (distance) C4'-P energy: -66.598 bonds (distance) P-C4' energy: -74.555 flat angles C4'-P-C4' energy: -84.216 flat angles P-C4'-P energy: -49.584 tors. eta vs tors. theta energy: -57.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -797.238196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.238196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.238196 (E_RNA) where: Base-Base interactions energy: -501.835 where: short stacking energy: -220.556 Base-Backbone interact. energy: -0.276 local terms energy: -295.127710 where: bonds (distance) C4'-P energy: -64.038 bonds (distance) P-C4' energy: -72.020 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -45.854 tors. eta vs tors. theta energy: -47.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -452.729015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.729015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.729015 (E_RNA) where: Base-Base interactions energy: -207.210 where: short stacking energy: -137.336 Base-Backbone interact. energy: -2.077 local terms energy: -243.442153 where: bonds (distance) C4'-P energy: -71.884 bonds (distance) P-C4' energy: -71.071 flat angles C4'-P-C4' energy: -71.651 flat angles P-C4'-P energy: -28.979 tors. eta vs tors. theta energy: 0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -386.709428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.709428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.709428 (E_RNA) where: Base-Base interactions energy: -152.258 where: short stacking energy: -102.288 Base-Backbone interact. energy: 0.977 local terms energy: -235.428267 where: bonds (distance) C4'-P energy: -64.799 bonds (distance) P-C4' energy: -80.293 flat angles C4'-P-C4' energy: -51.696 flat angles P-C4'-P energy: -41.162 tors. eta vs tors. theta energy: 2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -375.369257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.369257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.369257 (E_RNA) where: Base-Base interactions energy: -172.168 where: short stacking energy: -97.626 Base-Backbone interact. energy: 3.772 local terms energy: -206.972934 where: bonds (distance) C4'-P energy: -57.696 bonds (distance) P-C4' energy: -56.102 flat angles C4'-P-C4' energy: -60.107 flat angles P-C4'-P energy: -43.191 tors. eta vs tors. theta energy: 10.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1368.073945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.073945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.073945 (E_RNA) where: Base-Base interactions energy: -932.219 where: short stacking energy: -383.353 Base-Backbone interact. energy: 0.984 local terms energy: -436.838228 where: bonds (distance) C4'-P energy: -74.967 bonds (distance) P-C4' energy: -81.236 flat angles C4'-P-C4' energy: -93.726 flat angles P-C4'-P energy: -68.645 tors. eta vs tors. theta energy: -118.265 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: 5 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1264.441472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.441472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.441472 (E_RNA) where: Base-Base interactions energy: -834.915 where: short stacking energy: -367.726 Base-Backbone interact. energy: -2.896 local terms energy: -426.631023 where: bonds (distance) C4'-P energy: -74.380 bonds (distance) P-C4' energy: -77.157 flat angles C4'-P-C4' energy: -92.905 flat angles P-C4'-P energy: -70.752 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: 3, replica: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1168.920162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.920162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.920162 (E_RNA) where: Base-Base interactions energy: -786.957 where: short stacking energy: -345.598 Base-Backbone interact. energy: -1.006 local terms energy: -380.957187 where: bonds (distance) C4'-P energy: -83.735 bonds (distance) P-C4' energy: -76.096 flat angles C4'-P-C4' energy: -73.346 flat angles P-C4'-P energy: -49.346 tors. eta vs tors. theta energy: -98.434 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: 476 Temperature: 1.050000 Total energy: -1164.745649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.745649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.745649 (E_RNA) where: Base-Base interactions energy: -763.765 where: short stacking energy: -340.299 Base-Backbone interact. energy: -0.438 local terms energy: -400.543051 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -73.427 flat angles C4'-P-C4' energy: -83.092 flat angles P-C4'-P energy: -57.174 tors. eta vs tors. theta energy: -106.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -968.053465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.053465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.053465 (E_RNA) where: Base-Base interactions energy: -625.011 where: short stacking energy: -284.546 Base-Backbone interact. energy: 0.144 local terms energy: -343.186719 where: bonds (distance) C4'-P energy: -64.336 bonds (distance) P-C4' energy: -80.596 flat angles C4'-P-C4' energy: -73.914 flat angles P-C4'-P energy: -42.054 tors. eta vs tors. theta energy: -82.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -892.602573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.602573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.602573 (E_RNA) where: Base-Base interactions energy: -549.407 where: short stacking energy: -264.030 Base-Backbone interact. energy: -1.249 local terms energy: -341.946337 where: bonds (distance) C4'-P energy: -79.413 bonds (distance) P-C4' energy: -62.447 flat angles C4'-P-C4' energy: -75.059 flat angles P-C4'-P energy: -53.757 tors. eta vs tors. theta energy: -71.269 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: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -770.662610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.662610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.662610 (E_RNA) where: Base-Base interactions energy: -456.897 where: short stacking energy: -195.580 Base-Backbone interact. energy: -1.756 local terms energy: -312.009004 where: bonds (distance) C4'-P energy: -80.989 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -66.146 flat angles P-C4'-P energy: -43.420 tors. eta vs tors. theta energy: -51.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -443.380582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.380582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.380582 (E_RNA) where: Base-Base interactions energy: -201.514 where: short stacking energy: -101.780 Base-Backbone interact. energy: -2.424 local terms energy: -239.442400 where: bonds (distance) C4'-P energy: -69.037 bonds (distance) P-C4' energy: -70.078 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -38.016 tors. eta vs tors. theta energy: 8.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -439.828193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.828193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.828193 (E_RNA) where: Base-Base interactions energy: -190.803 where: short stacking energy: -97.390 Base-Backbone interact. energy: -2.831 local terms energy: -246.194993 where: bonds (distance) C4'-P energy: -61.073 bonds (distance) P-C4' energy: -80.600 flat angles C4'-P-C4' energy: -74.719 flat angles P-C4'-P energy: -39.727 tors. eta vs tors. theta energy: 9.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -326.167716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.167716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.167716 (E_RNA) where: Base-Base interactions energy: -133.868 where: short stacking energy: -80.850 Base-Backbone interact. energy: -3.418 local terms energy: -188.881558 where: bonds (distance) C4'-P energy: -65.884 bonds (distance) P-C4' energy: -66.439 flat angles C4'-P-C4' energy: -49.790 flat angles P-C4'-P energy: -28.819 tors. eta vs tors. theta energy: 22.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/E-bf928ecd_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1376.858667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.858667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.858667 (E_RNA) where: Base-Base interactions energy: -965.292 where: short stacking energy: -383.138 Base-Backbone interact. energy: -1.897 local terms energy: -409.669361 where: bonds (distance) C4'-P energy: -80.164 bonds (distance) P-C4' energy: -75.485 flat angles C4'-P-C4' energy: -83.205 flat angles P-C4'-P energy: -54.949 tors. eta vs tors. theta energy: -115.866 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: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1273.291992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.291992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.291992 (E_RNA) where: Base-Base interactions energy: -859.934 where: short stacking energy: -372.155 Base-Backbone interact. energy: -2.810 local terms energy: -410.547440 where: bonds (distance) C4'-P energy: -73.445 bonds (distance) P-C4' energy: -84.066 flat angles C4'-P-C4' energy: -77.431 flat angles P-C4'-P energy: -59.824 tors. eta vs tors. theta energy: -115.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1164.694250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.694250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.694250 (E_RNA) where: Base-Base interactions energy: -772.799 where: short stacking energy: -341.021 Base-Backbone interact. energy: -2.765 local terms energy: -389.130673 where: bonds (distance) C4'-P energy: -78.641 bonds (distance) P-C4' energy: -59.608 flat angles C4'-P-C4' energy: -82.485 flat angles P-C4'-P energy: -54.747 tors. eta vs tors. theta energy: -113.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1164.517438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.517438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.517438 (E_RNA) where: Base-Base interactions energy: -777.716 where: short stacking energy: -321.192 Base-Backbone interact. energy: -0.632 local terms energy: -386.168732 where: bonds (distance) C4'-P energy: -66.924 bonds (distance) P-C4' energy: -69.078 flat angles C4'-P-C4' energy: -95.069 flat angles P-C4'-P energy: -56.840 tors. eta vs tors. theta energy: -98.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1006.614178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.614178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.614178 (E_RNA) where: Base-Base interactions energy: -631.194 where: short stacking energy: -275.182 Base-Backbone interact. energy: -1.055 local terms energy: -374.365733 where: bonds (distance) C4'-P energy: -67.751 bonds (distance) P-C4' energy: -77.414 flat angles C4'-P-C4' energy: -88.936 flat angles P-C4'-P energy: -55.397 tors. eta vs tors. theta energy: -84.867 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: 6 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -935.494258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.494258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.494258 (E_RNA) where: Base-Base interactions energy: -611.739 where: short stacking energy: -246.279 Base-Backbone interact. energy: 0.923 local terms energy: -324.678515 where: bonds (distance) C4'-P energy: -65.072 bonds (distance) P-C4' energy: -76.912 flat angles C4'-P-C4' energy: -77.035 flat angles P-C4'-P energy: -41.741 tors. eta vs tors. theta energy: -63.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -700.936450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.936450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.936450 (E_RNA) where: Base-Base interactions energy: -424.264 where: short stacking energy: -212.211 Base-Backbone interact. energy: -0.558 local terms energy: -276.114435 where: bonds (distance) C4'-P energy: -64.395 bonds (distance) P-C4' energy: -64.865 flat angles C4'-P-C4' energy: -71.671 flat angles P-C4'-P energy: -26.383 tors. eta vs tors. theta energy: -48.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -431.896366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.896366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.896366 (E_RNA) where: Base-Base interactions energy: -202.139 where: short stacking energy: -127.793 Base-Backbone interact. energy: -2.858 local terms energy: -226.899208 where: bonds (distance) C4'-P energy: -59.046 bonds (distance) P-C4' energy: -75.095 flat angles C4'-P-C4' energy: -58.656 flat angles P-C4'-P energy: -35.602 tors. eta vs tors. theta energy: 1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -383.579921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.579921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.579921 (E_RNA) where: Base-Base interactions energy: -175.489 where: short stacking energy: -102.755 Base-Backbone interact. energy: 1.559 local terms energy: -209.649307 where: bonds (distance) C4'-P energy: -44.859 bonds (distance) P-C4' energy: -77.455 flat angles C4'-P-C4' energy: -45.619 flat angles P-C4'-P energy: -41.235 tors. eta vs tors. theta energy: -0.480 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: 477 Temperature: 1.350000 Total energy: -297.269061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.269061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.269061 (E_RNA) where: Base-Base interactions energy: -98.009 where: short stacking energy: -83.437 Base-Backbone interact. energy: 0.601 local terms energy: -199.861258 where: bonds (distance) C4'-P energy: -55.248 bonds (distance) P-C4' energy: -67.116 flat angles C4'-P-C4' energy: -47.157 flat angles P-C4'-P energy: -41.578 tors. eta vs tors. theta energy: 11.238 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)